From 5a03f1776b5a8de3f2bd353ba60373d41613b320 Mon Sep 17 00:00:00 2001
From: fnachon <florian@nachon.net>
Date: Mon, 30 Mar 2026 12:51:37 +0200
Subject: [PATCH 1/4] Change for metal support for Apple Silicon

Rewriting for support of Apple silicon
---
 .claude/settings.local.json            |    9 +
 CMakeLists.txt                         |   43 +-
 README.md                              |   46 +-
 include/libmolgrid/common.h            |   87 +-
 include/libmolgrid/grid.h              |   68 +-
 include/libmolgrid/grid_interpolater.h |   83 +-
 include/libmolgrid/grid_maker.h        |   24 +-
 include/libmolgrid/libmolgrid.h        |    2 +-
 include/libmolgrid/managed_grid.h      |  445 +++------
 include/libmolgrid/metal_context.h     |  174 ++++
 include/libmolgrid/quaternion.h        |   46 +-
 include/libmolgrid/transform.h         |    4 +-
 python/CMakeLists.txt                  |   11 +-
 python/bindings.in.cpp                 |    5 +-
 python/bindings_grids.cpp              |    2 +-
 src/CMakeLists.txt                     |   79 +-
 src/coord_cache.cpp                    |    2 +-
 src/coordinateset.cpp                  |    2 +-
 src/coordinateset_gpu.mm               |   33 +
 src/example.cpp                        |   14 +-
 src/example_extractor.cpp              |    2 +-
 src/grid_interpolater.cpp              |   39 +
 src/grid_interpolater_gpu.mm           |   59 ++
 src/grid_maker.cpp                     |  117 +++
 src/grid_maker_gpu.mm                  |  353 +++++++
 src/metal/shaders.metal                | 1174 ++++++++++++++++++++++++
 src/metal_context.mm                   |  651 +++++++++++++
 src/transform_gpu.mm                   |   60 ++
 test/CMakeLists.txt                    |   18 +-
 test/test_grid_mps.mm                  |   95 ++
 test/test_gridmaker.cpp                |    2 +-
 test/test_gridmaker_mps.mm             |   65 ++
 test/test_mgrid_mps.mm                 |   80 ++
 test/test_transform_mps.mm             |   78 ++
 34 files changed, 3369 insertions(+), 603 deletions(-)
 create mode 100644 .claude/settings.local.json
 create mode 100644 include/libmolgrid/metal_context.h
 create mode 100644 src/coordinateset_gpu.mm
 create mode 100644 src/grid_interpolater_gpu.mm
 create mode 100644 src/grid_maker_gpu.mm
 create mode 100644 src/metal/shaders.metal
 create mode 100644 src/metal_context.mm
 create mode 100644 src/transform_gpu.mm
 create mode 100644 test/test_grid_mps.mm
 create mode 100644 test/test_gridmaker_mps.mm
 create mode 100644 test/test_mgrid_mps.mm
 create mode 100644 test/test_transform_mps.mm

diff --git a/.claude/settings.local.json b/.claude/settings.local.json
new file mode 100644
index 00000000..06d6f5c4
--- /dev/null
+++ b/.claude/settings.local.json
@@ -0,0 +1,9 @@
+{
+  "permissions": {
+    "allow": [
+      "Bash(grep -v \":0$\")",
+      "Bash(ls -la /Users/florian/Documents/Science-IA/libmolgrid/test/*.cu)",
+      "Bash(wc -l /Users/florian/Documents/Science-IA/libmolgrid/src/*.cu /Users/florian/Documents/Science-IA/libmolgrid/src/*.cpp)"
+    ]
+  }
+}
diff --git a/CMakeLists.txt b/CMakeLists.txt
index f38322c1..2b7f071c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,5 +1,5 @@
 cmake_minimum_required (VERSION 3.18)
-project(LibMolGrid LANGUAGES C CXX CUDA)
+project(LibMolGrid LANGUAGES C CXX OBJCXX)
 
 #version number
 set (VERSION_MAJOR 0)
@@ -18,65 +18,57 @@ option(BUILD_SHARED "Build shared library" ON)
 option(BUILD_STATIC "Build static library" ON)
 option(BUILD_COVERAGE "Build with code coverage" OFF)
 
-if(${BUILD_CONTAINED_PYTHON}) 
-  #if make a mostly statically linked python module, use static boost
-   set(BUILD_STATIC ON)
-   set(Boost_USE_STATIC_LIBS ON)
+if(${BUILD_CONTAINED_PYTHON})
+  set(BUILD_STATIC ON)
+  set(Boost_USE_STATIC_LIBS ON)
 endif()
 
 list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/cmake/Modules;${PROJECT_SOURCE_DIR}/cmake")
-# get git hash
 include(cmake/git_revision.cmake)
-
-# guard against in-source builds and bad build-type strings
 include(cmake/safeguards.cmake)
-
-# place binaries and libraries according to GNU standards
 include(GNUInstallDirs)
+
 set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR})
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR})
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_BINDIR})
 
 #dependencies
-find_package(CUDA REQUIRED)
-find_package(Boost REQUIRED COMPONENTS regex unit_test_framework program_options system filesystem iostreams serialization)
+find_package(Boost REQUIRED COMPONENTS regex unit_test_framework program_options filesystem iostreams serialization)
 find_package(OpenBabel3 REQUIRED)
 include_directories(SYSTEM ${OPENBABEL3_INCLUDE_DIR})
 find_package(ZLIB)
 
 # configure a header file to pass some of the CMake settings
-# to the source code
 configure_file (
   "${PROJECT_SOURCE_DIR}/cmake/config.h.in"
   "${PROJECT_BINARY_DIR}/include/libmolgrid/config.h"
   )
 
 set(CMAKE_CXX_STANDARD 17)
-set(CMAKE_CUDA_STANDARD 17)
+set(CMAKE_OBJCXX_STANDARD 17)
 
-if(CMAKE_CXX_COMPILER_ID MATCHES GNU)
-    set(CMAKE_CXX_FLAGS         "${CMAKE_CXX_FLAGS} -Wall -Wno-unknown-pragmas -Werror")
+if(CMAKE_CXX_COMPILER_ID MATCHES "GNU|Clang|AppleClang")
+    # OpenBabel 3.1.1 uses std::binary_function which was removed in C++17.
+    # Restore it via the compatibility shim in libc++.
+    set(CMAKE_CXX_FLAGS         "${CMAKE_CXX_FLAGS} -Wall -Wno-unknown-pragmas -D_LIBCPP_ENABLE_CXX17_REMOVED_UNARY_BINARY_FUNCTION")
     set(CMAKE_CXX_FLAGS_DEBUG   "-O0 -g3")
     if (BUILD_COVERAGE)
-	set(CMAKE_CXX_FLAGS_RELEASE "-O3 -g -fprofile-arcs -ftest-coverage")
+        set(CMAKE_CXX_FLAGS_RELEASE "-O3 -g -fprofile-arcs -ftest-coverage")
     else()
         set(CMAKE_CXX_FLAGS_RELEASE "-O3 -g")
-    endif()	
+    endif()
 endif()
 
-set(CMAKE_CUDA_ARCHITECTURES "all-major")
-
-set(CMAKE_CUDA_FLAGS_RELEASE "-O3 -g -lineinfo")
-set(CMAKE_CUDA_FLAGS_DEBUG "-O0 -g -G")
-
 # add the binary tree to the search path for include files
-# so that we will find libmolgrid_config.h
 include_directories("${PROJECT_BINARY_DIR}")
 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/include)
 include_directories(${PROJECT_BINARY_DIR}/include)
-include_directories(SYSTEM ${CUDA_INCLUDE_DIRS})
 include_directories(SYSTEM ${Boost_INCLUDE_DIR})
 
+# Apple Silicon MPS requires these frameworks
+find_library(METAL_LIB   Metal   REQUIRED)
+find_library(FOUNDATION_LIB Foundation REQUIRED)
+
 add_subdirectory(src)
 add_subdirectory(python)
 add_subdirectory(docs)
@@ -84,5 +76,4 @@ add_subdirectory(docs)
 # enable testing
 include(CTest)
 enable_testing()
-# define tests
 add_subdirectory(test)
diff --git a/README.md b/README.md
index 0126f143..0a26f41f 100644
--- a/README.md
+++ b/README.md
@@ -35,7 +35,7 @@ If you use libmolgrid in your research, please cite:
 ### conda
 ```conda install -c gnina molgrid```
 
-### Build from Source
+### Build from Source (Linux / CUDA)
 
 ```apt install git build-essential libboost-all-dev python3-pip rapidjson-dev
 pip3 install numpy pytest pyquaternion
@@ -58,6 +58,50 @@ make -j8
 sudo make install
 ```
 
+### Build from Source (macOS / Apple Silicon)
+
+libmolgrid supports Apple Silicon (M1/M2/M3/M4) via Metal Performance Shaders (MPS).
+GPU and CPU share unified memory, so no explicit host↔device copies are needed.
+
+**Prerequisites** (install via [Homebrew](https://brew.sh)):
+
+```bash
+brew install cmake boost open-babel rapidjson eigen python
+pip3 install numpy pytest pyquaternion
+```
+
+Xcode Command Line Tools are required for the Metal shader compiler (`metal`, `metallib`):
+
+```bash
+xcode-select --install
+```
+
+**Build:**
+
+```bash
+git clone https://github.com/gnina/libmolgrid.git
+cd libmolgrid
+mkdir build && cd build
+cmake .. -DCMAKE_BUILD_TYPE=Release
+make -j$(sysctl -n hw.logicalcpu)
+sudo make install
+```
+
+The build system detects Apple Silicon automatically and compiles the Metal shaders
+(`src/metal/shaders.metal`) into a `.metallib` that is embedded in the library.
+No CUDA installation is required.
+
+**Run tests** (must be run from the `build/bin/` directory so relative data paths resolve):
+
+```bash
+cd build/bin
+./test_gridmaker_cpp
+./test_gridmaker_mps_mm
+./test_grid_mps_mm
+./test_mgrid_mps_mm
+./test_transform_mps_mm
+```
+
 
 
 
diff --git a/include/libmolgrid/common.h b/include/libmolgrid/common.h
index 8b91cf4a..ad738576 100644
--- a/include/libmolgrid/common.h
+++ b/include/libmolgrid/common.h
@@ -1,7 +1,8 @@
 /*
  * common.h
  *
- * Utility functions and definitions
+ * Utility functions and definitions for Apple Silicon MPS backend.
+ * Replaces the previous CUDA-based common.h.
  */
 
 #ifndef COMMON_H_
@@ -9,46 +10,62 @@
 
 #include <memory>
 #include <cstring>
-#include <cuda_runtime_api.h>
-#include <cuda.h>
+#include <stdexcept>
+#include <iostream>
+#include <cmath>
 
-#ifdef __CUDACC__
-#define CUDA_CALLABLE_MEMBER __host__ __device__
-#define CUDA_DEVICE_MEMBER __device__
-#else
+// ---- Vector types (replaces CUDA built-ins) ----
+// These match the CUDA naming convention so the rest of the code is unchanged.
+
+#ifndef __METAL_VERSION__
+
+struct float2 { float x, y; };
+struct float3 { float x, y, z; };
+struct float4 { float x, y, z, w; };
+struct int2   { int x, y; };
+struct int3   { int x, y, z; };
+struct uint2  { unsigned int x, y; };
+struct uint3  { unsigned int x, y, z; };
+struct double3 { double x, y, z; };
+
+inline float2  make_float2(float x, float y)                        { return {x, y}; }
+inline float3  make_float3(float x, float y, float z)               { return {x, y, z}; }
+inline float4  make_float4(float x, float y, float z, float w)      { return {x, y, z, w}; }
+inline int2    make_int2(int x, int y)                               { return {x, y}; }
+inline int3    make_int3(int x, int y, int z)                        { return {x, y, z}; }
+inline uint2   make_uint2(unsigned x, unsigned y)                    { return {x, y}; }
+inline uint3   make_uint3(unsigned x, unsigned y, unsigned z)        { return {x, y, z}; }
+inline double3 make_double3(double x, double y, double z)            { return {x, y, z}; }
+
+#endif // __METAL_VERSION__
+
+// ---- Callable member annotation (was __host__ __device__) ----
+// On Apple Silicon, all code runs on CPU or Metal GPU; no annotation needed.
 #define CUDA_CALLABLE_MEMBER
 #define CUDA_DEVICE_MEMBER
-#endif
 
-//called in device code to perform a parallel operation
+// ---- Thread / block size constants (shared with Metal shaders via headers) ----
+#define LMG_CUDA_NUM_THREADS 512
+#define LMG_CUDA_BLOCKDIM    8
+#define LOG2_WARP_SIZE       5U
+#define WARP_SIZE            (1U << LOG2_WARP_SIZE)
+
+// ---- Block/thread count helpers ----
+#define LMG_GET_BLOCKS(N)  ((unsigned(N) + LMG_CUDA_NUM_THREADS - 1) / LMG_CUDA_NUM_THREADS)
+#define LMG_GET_THREADS(N) (unsigned(N) < LMG_CUDA_NUM_THREADS ? unsigned(N) : LMG_CUDA_NUM_THREADS)
+
+// ---- Kernel loop macro (used in CPU fallback paths) ----
+// In Metal this pattern is handled by thread_position_in_grid.
 #define LMG_CUDA_KERNEL_LOOP(i, n) \
-  for (int i = blockIdx.x * blockDim.x + threadIdx.x; \
-       i < (n); \
-       i += blockDim.x * gridDim.x)
+  for (int i = 0; i < static_cast<int>(n); i++)
 
-// CUDA: use 512 threads per block
-#define LMG_CUDA_NUM_THREADS 512
-#define LMG_CUDA_BLOCKDIM 8
-#define LOG2_WARP_SIZE 5U
-#define WARP_SIZE (1U << LOG2_WARP_SIZE)
-
-// CUDA: number of blocks for threads.
-#define LMG_GET_BLOCKS(N) ((unsigned(N) + LMG_CUDA_NUM_THREADS - 1) / LMG_CUDA_NUM_THREADS)
-// CUDA: combined with GET_BLOCKS, number of threads
-#define LMG_GET_THREADS(N) min(N,LMG_CUDA_NUM_THREADS)
-
-#ifndef __CUDA_ARCH__
-#define LMG_CUDA_CHECK(condition) \
-  /* Code block avoids redefinition of cudaError_t error */ \
-  do { \
-    cudaError_t error = condition; \
-    if(error != cudaSuccess) {                                          \
-        std::cerr << __FILE__ << ":" << __LINE__ << ": " << cudaGetErrorString(error); throw std::runtime_error(std::string("CUDA Error: ")+cudaGetErrorString(error)); } \
-  } while (0)
-#else
-// probably don't want to make API calls on the device.
-#define LMG_CUDA_CHECK(condition) condition
-#endif
+// ---- Error check (was LMG_CUDA_CHECK) ----
+// Metal errors are handled via NSError in metal_context.mm.
+// This macro is kept as a no-op placeholder so call sites still compile.
+#define LMG_CUDA_CHECK(condition) (condition)
 
+// ---- itoa helper used in error messages ----
+#include <string>
+inline std::string itoa(size_t v) { return std::to_string(v); }
 
 #endif /* COMMON_H_ */
diff --git a/include/libmolgrid/grid.h b/include/libmolgrid/grid.h
index 0888b84d..bb95b8b8 100644
--- a/include/libmolgrid/grid.h
+++ b/include/libmolgrid/grid.h
@@ -1,6 +1,7 @@
 /** \file grid.h
  *
  *  Wrapper classes for holding dense, multi-dimensional arrays of data.
+ *  Ported from CUDA to Apple Silicon MPS (unified memory).
  */
 
 #ifndef GRID_H_
@@ -11,6 +12,8 @@
 #include <boost/lexical_cast.hpp>
 #include <cassert>
 #include <iostream>
+#include <cstring>
+#include <stdexcept>
 
 #include "libmolgrid/common.h"
 #include "libmolgrid/libmolgrid.h"
@@ -19,32 +22,15 @@ namespace libmolgrid {
 
 template<typename Dt, std::size_t ND> class ManagedGrid; //predeclare
 
-inline cudaMemcpyKind copyKind(bool srcCUDA, bool destCUDA) {
-  if (srcCUDA) {
-    if (destCUDA)
-      return cudaMemcpyDeviceToDevice;
-    else
-      return cudaMemcpyDeviceToHost;
-  } else { //source host
-    if (destCUDA)
-      return cudaMemcpyHostToDevice;
-    else
-      return cudaMemcpyHostToHost;
-  }
-}
-
 /**
  * \class Grid
- * A dense array of memory stored on the CPU.  The memory is owned
- * and managed external to this class.  The location and size of
- * the memory should not change during the lifetime of the grid.
- * If isCUDA is true, data should only be accessed in kernels.
+ * A dense array of memory. The memory is owned and managed external to this
+ * class. The isCUDA template parameter is kept for API compatibility; on
+ * Apple Silicon all memory is unified and accessible from both CPU and GPU.
  */
 template<typename Dtype, std::size_t NumDims, bool isCUDA = false>
 class Grid {
   protected:
-    //these should be read only, but I need to set them in the constructor
-    //outside an initializer list, so hide them
     Dtype * buffer; /// raw pointer to data
     size_t dims[NumDims];
     size_t offs[NumDims];
@@ -56,20 +42,16 @@ class Grid {
       size_t idx[NumDims] = { static_cast<size_t>(indices)...};
       size_t pos = 0;
       #pragma unroll
-      for(unsigned i = 0; i < NumDims; i++) { //surely the compiler will unroll this...
+      for(unsigned i = 0; i < NumDims; i++) {
         pos += idx[i]*offs[i];
       }
       return pos;
     }
 
     CUDA_CALLABLE_MEMBER void check_index(size_t i, size_t dim) const {
-#ifndef __CUDA_ARCH__
       if(i >= dim) {
         throw std::out_of_range("Invalid range. "+itoa(i) + " >= " + itoa(dim));
       }
-#else
-      assert(i < dim);
-#endif
     }
 
   public:
@@ -182,36 +164,29 @@ class Grid {
 
     /** \brief copy contents to dest
      *
-     *  Sizes should be the same, but will narrow as necessary.  Will copy across device/host.
+     *  On Apple Silicon all memory is unified; memcpy is sufficient for
+     *  both host-to-host and host-to-device copies.
      */
     template<bool destCUDA>
     size_t copyTo(Grid<Dtype,NumDims,destCUDA>& dest) const {
       size_t sz = std::min(size(), dest.size());
       if(sz == 0) return 0;
-      cudaMemcpyKind kind = copyKind(isCUDA,destCUDA);
-      LMG_CUDA_CHECK(cudaMemcpy(dest.data(),data(),sz*sizeof(Dtype),kind));
+      memcpy(dest.data(), data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief copy contents from src
-     *
-     *  Sizes should be the same, but will narrow as necessary.  Will copy across device/host.
-     */
+    /** \brief copy contents from src */
     template<bool srcCUDA>
     size_t copyFrom(const Grid<Dtype,NumDims,srcCUDA>& src) {
       size_t sz = std::min(size(), src.size());
       if(sz == 0) return 0;
-      cudaMemcpyKind kind = copyKind(srcCUDA,isCUDA);
-      LMG_CUDA_CHECK(cudaMemcpy(data(),src.data(),sz*sizeof(Dtype),kind));
+      memcpy(data(), src.data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Set contents to zero.
-     *
-     */
+    /** \brief Set contents to zero. */
     void fill_zero() {
-      if(isCUDA) cudaMemset(data(), 0, sizeof(Dtype)*size());
-      else memset(data(), 0, sizeof(Dtype)*size());
+      memset(data(), 0, sizeof(Dtype) * size());
     }
 
     // constructor used by operator[], create a subgrid, assuming memory is allocated
@@ -227,8 +202,6 @@ class Grid {
 };
 
 // class specialization of grid to make final operator[] return scalar
-// Note: if we start adding more functionality to Grid, we will need
-// to refactor this into a separate GridAccessor class
 template<typename Dtype, bool isCUDA >
 class Grid<Dtype,1,isCUDA> {
   protected:
@@ -236,13 +209,9 @@ class Grid<Dtype,1,isCUDA> {
     size_t dims[1]; /// length of array
 
     CUDA_CALLABLE_MEMBER void check_index(size_t i, size_t dim) const {
-#ifndef __CUDA_ARCH__
       if(i >= dim) {
         throw std::out_of_range("Invalid range. "+ itoa(i) + " >= " + itoa(dim));
       }
-#else
-      assert(i < dim);
-#endif
     }
   public:
     using type = Dtype;
@@ -294,8 +263,7 @@ class Grid<Dtype,1,isCUDA> {
     }
 
     void fill_zero() {
-      if(isCUDA) cudaMemset(data(), 0, sizeof(Dtype)*size());
-      else memset(data(), 0, sizeof(Dtype)*size());
+      memset(data(), 0, sizeof(Dtype) * size());
     }
 
     //only called from regular Grid
@@ -308,8 +276,7 @@ class Grid<Dtype,1,isCUDA> {
     size_t copyTo(Grid<Dtype,1,destCUDA>& dest) const {
       size_t sz = std::min(size(), dest.size());
       if(sz == 0) return sz;
-      cudaMemcpyKind kind = copyKind(isCUDA,destCUDA);
-      LMG_CUDA_CHECK(cudaMemcpy(dest.data(),data(),sz*sizeof(Dtype),kind));
+      memcpy(dest.data(), data(), sz * sizeof(Dtype));
       return sz;
     }
 
@@ -317,8 +284,7 @@ class Grid<Dtype,1,isCUDA> {
     size_t copyFrom(const Grid<Dtype,1,srcCUDA>& src) {
       size_t sz = std::min(size(), src.size());
       if(sz == 0) return sz;
-      cudaMemcpyKind kind = copyKind(srcCUDA,isCUDA);
-      LMG_CUDA_CHECK(cudaMemcpy(data(),src.data(),sz*sizeof(Dtype),kind));
+      memcpy(data(), src.data(), sz * sizeof(Dtype));
       return sz;
     }
 
diff --git a/include/libmolgrid/grid_interpolater.h b/include/libmolgrid/grid_interpolater.h
index aabd6873..da9ea876 100644
--- a/include/libmolgrid/grid_interpolater.h
+++ b/include/libmolgrid/grid_interpolater.h
@@ -1,8 +1,8 @@
 /*
  * grid_interpolater.h
  *
- *  Created on: Nov 16, 2020
- *      Author: dkoes
+ * Ported from CUDA to Apple Silicon MPS (unified memory).
+ * Texture-memory path removed (it was already disabled in the original).
  */
 
 #ifndef INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_
@@ -11,7 +11,7 @@
 #include <vector>
 #include <array>
 #include <algorithm>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 #include "libmolgrid/coordinateset.h"
 #include "libmolgrid/grid.h"
 #include "libmolgrid/example.h"
@@ -31,23 +31,15 @@ class GridInterpolater {
 
     float in_resolution = 0.5;
     float out_resolution = 0.05;
-    float in_dimension = 0; //length in Angstroms
+    float in_dimension = 0;  // length in Angstroms
     float out_dimension = 0;
-    unsigned in_dim = 0; //number of points
+    unsigned in_dim = 0;   // number of points
     unsigned out_dim = 0;
 
     // Sanity check grid dimensions and throw exceptions if they are wrong
     template <typename Dtype, bool isCUDA>
     void checkGrids(const Grid<Dtype, 4, isCUDA>& in, const Grid<Dtype, 4, isCUDA>& out) const;
 
-    // setup and initialize texture from in
-    cudaTextureObject_t initializeTexture( const Grid<float, 3, true>& in) const;
-
-    //deallocate memory for GPU texture memory
-    void clearTexture();
-
-    mutable cudaArray_t cuArray = nullptr; //cache to avoid reallocating
-
   public:
 
     /** \brief Construct GridInterpolater
@@ -59,14 +51,14 @@ class GridInterpolater {
     GridInterpolater(float inres, float indim, float outres, float outdim) :
         in_resolution(inres), out_resolution(outres),
         in_dimension(indim), out_dimension(outdim) {
-        in_dim = std::round(in_dimension / in_resolution) + 1;
+        in_dim  = std::round(in_dimension  / in_resolution)  + 1;
         out_dim = std::round(out_dimension / out_resolution) + 1;
     }
 
-    virtual ~GridInterpolater() { clearTexture(); }
+    virtual ~GridInterpolater() {}
 
     ///return resolution of input grid in Angstroms
-    CUDA_CALLABLE_MEMBER float get_in_resolution() const { return in_resolution; }
+    CUDA_CALLABLE_MEMBER float get_in_resolution()  const { return in_resolution; }
     ///return resolution of output grid in Angstroms
     CUDA_CALLABLE_MEMBER float get_out_resolution() const { return out_resolution; }
 
@@ -74,13 +66,12 @@ class GridInterpolater {
     CUDA_CALLABLE_MEMBER void set_in_resolution(float res) {
       in_dim = std::round(in_dimension / in_resolution) + 1;
       in_resolution = res;
-      clearTexture();
     }
     ///set output resolution in Angstroms
     CUDA_CALLABLE_MEMBER void set_out_resolution(float res) { out_resolution = res; }
 
     ///get input dimension in Angstroms
-    CUDA_CALLABLE_MEMBER float get_in_dimension() const { return in_dimension; }
+    CUDA_CALLABLE_MEMBER float get_in_dimension()  const { return in_dimension; }
     ///get output dimension in Angstroms
     CUDA_CALLABLE_MEMBER float get_out_dimension() const { return out_dimension; }
 
@@ -88,21 +79,13 @@ class GridInterpolater {
     CUDA_CALLABLE_MEMBER void set_in_dimension(float d) {
       in_dim = std::round(in_dimension / in_resolution) + 1;
       in_dimension = d;
-      clearTexture();
     }
     ///set output dimension in Angstroms
-    CUDA_CALLABLE_MEMBER void set_out_dimension(float d) { out_dimension = d;}
+    CUDA_CALLABLE_MEMBER void set_out_dimension(float d) { out_dimension = d; }
 
 
     // Docstring_GridInterpolater_forward_1
-    /* \brief Interpolate a grid tensor from another grid.
-     * Grids and transformation are assumed to have the same center.  Grids must be properly sized.
-     * Each grid point of the input grid has the transform applied to its position to determine
-     * its location in the output grid.
-     * @param[in] in  a CPU 4D grid
-     * @param[in] transform  a transformation to apply.  Input grid is rotated about its center and then translated.
-     * @param[out] out  a CPU 4D grid
-     */
+    /* \brief Interpolate a grid tensor from another grid (CPU). */
     template <typename Dtype>
     void forward(const Grid<Dtype, 4, false>& in, const Transform& transform, Grid<Dtype, 4, false>& out) const {
       float3 center = transform.get_rotation_center();
@@ -110,12 +93,7 @@ class GridInterpolater {
     }
 
     // Docstring_GridInterpolater_forward_2
-    /* \brief Interpolate a grid tensor from another grid.
-     * Grids are assumed to have the same center.  Grids must be properly sized.
-     * @param[in] in  a GPU 4D grid
-     * @param[in] transform  a transformation to apply.  Input grid is rotated about its center and then translated.
-     * @param[out] out  a GPU 4D grid
-     */
+    /* \brief Interpolate a grid tensor from another grid (GPU/unified memory). */
     template <typename Dtype>
     void forward(const Grid<Dtype, 4, true>& in, const Transform& transform, Grid<Dtype, 4, true>& out) const {
       float3 center = transform.get_rotation_center();
@@ -123,13 +101,6 @@ class GridInterpolater {
     }
 
     // Docstring_GridInterpolater_forward_3
-    /* \brief Convenience function for randomly interpolating a CPU grid tensor from another grid.
-     * Grids are assumed to have the same center.  Grids must be properly sized.
-     * @param[in] in  a 4D grid
-     * @param[out] out  a 4D grid
-     * @param[in] random_translation  maximum amount to randomly translate each coordinate (+/-)
-     * @param[in] random_rotation  whether or not to randomly rotate
-     */
     template <typename Dtype>
     void forward(const Grid<Dtype, 4, false>& in, Grid<Dtype, 4, false>& out, float random_translation=0, bool random_rotation=false) const {
         Transform t(make_float3(0.0, 0.0, 0.0), random_translation, random_rotation);
@@ -137,13 +108,6 @@ class GridInterpolater {
     }
 
     // Docstring_GridInterpolater_forward_4
-    /* \brief Convenience function for randomly interpolating a CUDA grid tensor from another grid.
-     * Grids are assumed to have the same center.  Grids must be properly sized.
-     * @param[in] in  a 4D grid
-     * @param[out] out  a 4D grid
-     * @param[in] random_translation  maximum amount to randomly translate each coordinate (+/-)
-     * @param[in] random_rotation  whether or not to randomly rotate
-     */
     template <typename Dtype>
     void forward(const Grid<Dtype, 4, true>& in, Grid<Dtype, 4, true>& out, float random_translation=0, bool random_rotation=false) const {
         Transform t(make_float3(0.0, 0.0, 0.0), random_translation, random_rotation);
@@ -151,28 +115,10 @@ class GridInterpolater {
     }
 
     // Docstring_GridInterpolater_forward_5
-    /* \brief Interpolate a grid tensor from another grid.
-     * Grids and transformation are assumed to have the same center.  Grids must be properly sized.
-     * Each grid point of the input grid has the transform applied to its position to determine
-     * its location in the output grid.
-     * @param[in] in_center  center of input grid
-     * @param[in] in  a CPU 4D grid
-     * @param[in] transform  a transformation to apply.  Input grid is rotated about its center and then translated.
-     * @param[in] out_center center of output grid
-     * @param[out] out  a CPU 4D grid
-     */
     template <typename Dtype>
     void forward(float3 in_center, const Grid<Dtype, 4, false>& in, const Transform& transform, float3 out_center, Grid<Dtype, 4, false>& out) const;
 
     // Docstring_GridInterpolater_forward_6
-    /* \brief Interpolate a grid tensor from another grid.
-     * Grids are assumed to have the same center.  Grids must be properly sized.
-     * @param[in] in_center  center of input grid
-     * @param[in] in  a GPU 4D grid
-     * @param[in] transform  a transformation to apply.  Input grid is rotated about its center and then translated.
-     * @param[in] out_center center of output grid
-     * @param[out] out  a GPU 4D grid
-     */
     template <typename Dtype>
     void forward(float3 in_center, const Grid<Dtype, 4, true>& in, const Transform& transform, float3 out_center, Grid<Dtype, 4, true>& out) const;
 
@@ -193,13 +139,10 @@ inline CUDA_CALLABLE_MEMBER float3 cart2grid(float3 origin, float resolution, fl
 
 // return Cartesian coordinates of provided grid position
 inline CUDA_CALLABLE_MEMBER float3 grid2cart(float3 origin, float resolution, unsigned i, unsigned j, unsigned k) {
-    float3 pt = {origin.x+i*resolution,origin.y+j*resolution,origin.z+k*resolution};
+    float3 pt = {origin.x+i*resolution, origin.y+j*resolution, origin.z+k*resolution};
     return pt;
 }
 
-
 } /* namespace libmolgrid */
 
-
-
 #endif /* INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_ */
diff --git a/include/libmolgrid/grid_maker.h b/include/libmolgrid/grid_maker.h
index 121c06ae..9138e7ca 100644
--- a/include/libmolgrid/grid_maker.h
+++ b/include/libmolgrid/grid_maker.h
@@ -12,7 +12,7 @@
 #include <vector>
 #include <array>
 #include <algorithm>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 #include "libmolgrid/coordinateset.h"
 #include "libmolgrid/grid.h"
 #include "libmolgrid/example.h"
@@ -286,10 +286,7 @@ class GridMaker {
       float3 center = { 0, };
 
       for(unsigned i = 0; i < B; i++) {
-        if(isCUDA)
-          cudaMemcpy(&center, centers[i].data(), sizeof(center),cudaMemcpyDeviceToHost);
-        else
-          memcpy(&center, centers[i].data(), sizeof(center));
+        memcpy(&center, centers[i].data(), sizeof(center));
 
         //convert from subgrids to full grids
         Grid<float, 2, isCUDA> C = coords[i];
@@ -698,21 +695,8 @@ class GridMaker {
     CUDA_CALLABLE_MEMBER void accumulate_atom_gradient(float ax, float ay, float az,
             float x, float y, float z, float radius, float gridval, float3& agrad) const;
 
-    template<typename Dtype> __global__ friend //member functions don't kernel launch
-    void set_atom_gradients(GridMaker G, float3 grid_center, Grid2fCUDA coords, Grid1fCUDA type_index,
-        Grid1fCUDA radii, Grid<Dtype, 4, true> grid, Grid<Dtype, 2, true> atom_gradients);
-    template<typename Dtype, bool RadiiFromTypes> __global__ friend
-    void set_atom_type_gradients(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector,
-        unsigned ntypes, Grid1fCUDA radii, Grid<Dtype, 4, true> grid, Grid<Dtype, 2, true> atom_gradients,
-        Grid<Dtype, 2, true> type_gradients);
-    template<typename Dtype, bool RadiiFromTypes> __global__ friend
-    void set_atom_type_grad_grad(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector,
-        unsigned ntypes, Grid1fCUDA radii, Grid<Dtype, 4, true> diff, Grid<Dtype, 2, true> atom_gradients,
-        Grid<Dtype, 2, true> type_gradients, Grid<Dtype, 4, true> diffdiff, Grid<Dtype, 2, true> atom_diffdiff,
-        Grid<Dtype, 2, true> type_diffdiff);
-    template<typename Dtype> __global__ friend
-    void set_atom_relevance(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid1fCUDA type_index,
-        Grid1fCUDA radii, Grid<Dtype, 4, true> densitygrid, Grid<Dtype, 4, true> diffgrid, Grid<Dtype, 1, true> relevance);
+    // Metal GPU kernels are free functions dispatched through MetalContext;
+    // no friend declarations needed (they access GridMaker via passed params).
 };
 
 } /* namespace libmolgrid */
diff --git a/include/libmolgrid/libmolgrid.h b/include/libmolgrid/libmolgrid.h
index 5eac0867..44efd056 100644
--- a/include/libmolgrid/libmolgrid.h
+++ b/include/libmolgrid/libmolgrid.h
@@ -10,7 +10,7 @@
 #include <random>
 #include <iostream>
 #include <boost/lexical_cast.hpp>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 
 // dimensionalities up to but not including LIBMOLGRID_MAX_GRID_DIM are pre-instantiated
 #define LIBMOLGRID_MAX_GRID_DIM 9
diff --git a/include/libmolgrid/managed_grid.h b/include/libmolgrid/managed_grid.h
index fd64353a..c12a730a 100644
--- a/include/libmolgrid/managed_grid.h
+++ b/include/libmolgrid/managed_grid.h
@@ -1,10 +1,16 @@
 /** \file managed_grid.h
  *
  * A grid that manages its own memory using a shared pointer.
- * Any libmolgrid routines that create a grid option (e.g. readers)
- * return a ManagedGrid.  Memory is first allocated as CPU memory
- * but can be explicitly converted to GPU memory and back.
+ * Ported to Apple Silicon MPS (unified memory).
  *
+ * On Apple Silicon the CPU and GPU share the same physical memory pool, so
+ * there is no need for explicit host↔device copies.  The buffer is allocated
+ * once with malloc() and remains accessible from both CPU and Metal GPU
+ * kernels throughout its lifetime.
+ *
+ * The togpu() / tocpu() methods still exist (API compatibility) but they no
+ * longer copy data; they simply record which side is "active" so that the
+ * MetalContext can insert the appropriate synchronization barriers.
  */
 
 #ifndef MANAGED_GRID_H_
@@ -23,7 +29,6 @@ namespace libmolgrid
   template <typename Dtype>
   struct mgrid_buffer_data
   {
-    Dtype *gpu_ptr;
     bool sent_to_gpu;
   };
 
@@ -32,17 +37,17 @@ namespace libmolgrid
   class ManagedGridBase
   {
   public:
-    using gpu_grid_t = Grid<Dtype, NumDims, true>; /// cuda grid type
+    using gpu_grid_t = Grid<Dtype, NumDims, true>;
     using cpu_grid_t = Grid<Dtype, NumDims, false>;
     using type = Dtype;
     static constexpr size_t N = NumDims;
 
   protected:
-    // two different views of the same memory
-    mutable gpu_grid_t gpu_grid; // treated as a cache
+    // On unified memory both views point at the same allocation.
+    mutable gpu_grid_t gpu_grid;
     cpu_grid_t cpu_grid;
-    std::shared_ptr<Dtype> cpu_ptr; // shared pointer lets us not worry about copying the grid
-    size_t capacity = 0;            // amount of memory allocated (for resizing)
+    std::shared_ptr<Dtype> cpu_ptr;
+    size_t capacity = 0;
 
     using buffer_data = mgrid_buffer_data<Dtype>;
     mutable buffer_data *gpu_info = nullptr;
@@ -50,282 +55,175 @@ namespace libmolgrid
     /// empty (unusable) grid
     ManagedGridBase() = default;
 
-    // deallocate our special buffer memory, include gpu memory if present
-    static void delete_buffer(void *ptr)
-    {
-      buffer_data *data = (buffer_data *)(ptr)-1;
-      if (data->gpu_ptr != nullptr)
-      {
-        // deallocate gpu
-        cudaFree(data->gpu_ptr);
-      }
-      free(data);
-    }
-    // allocate and set the cpu pointer (and grid) with space for sent_to_gpu bool, set the bool ptr location
-    // does not initialize memory
+    // Allocate unified memory and set up cpu/gpu grid views.
+    // The data is page-aligned (16 KB) so Metal's newBufferWithBytesNoCopy works correctly.
+    // The buffer_data header is allocated separately.
     void alloc_and_set_cpu(size_t sz)
     {
-      // put buffer data at start so know where it is on delete
-      void *buffer = malloc(sizeof(buffer_data) + sz * sizeof(Dtype));
-      Dtype *cpu_data = (Dtype *)((buffer_data *)buffer + 1);
-
-      if (!buffer)
-        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) + " bytes of CPU memory in ManagedGrid");
-      cpu_ptr = std::shared_ptr<Dtype>(cpu_data, delete_buffer);
-      cpu_grid.set_buffer(cpu_ptr.get());
-      gpu_info = (buffer_data *)buffer;
-      gpu_info->gpu_ptr = nullptr;
+      // Allocate the metadata header.
+      gpu_info = new buffer_data;
       gpu_info->sent_to_gpu = false;
-    }
 
-    // allocate and set gpu_ptr and grid, does not initialize memory, should not be called if memory is already allocated
-    void alloc_and_set_gpu(size_t sz) const
-    {
-      if (gpu_info == nullptr)
-        throw std::runtime_error("Attempt to allocate gpu memory in empty ManagedGrid");
-      if (gpu_info->gpu_ptr != nullptr)
-      {
-        throw std::runtime_error("Attempt to reallocate gpu memory in  ManagedGrid");
+      if (sz == 0) {
+        buffer_data *info = gpu_info;
+        cpu_ptr = std::shared_ptr<Dtype>(nullptr, [info](Dtype*) { delete info; });
+        cpu_grid.set_buffer(nullptr);
+        gpu_grid.set_buffer(nullptr);
+        return;
       }
-      // we are not actually using unified memory, but this make debugging easier?
-      cudaError_t err = cudaMalloc(&gpu_info->gpu_ptr, sz * sizeof(Dtype));
-      cudaGetLastError();
-      if (err != cudaSuccess)
-      {
-        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) + " bytes of GPU memory in ManagedGrid");
+
+      // Allocate data with 16 KB page alignment for Metal zero-copy compatibility.
+      void *data = nullptr;
+      const size_t align = 16384;  // Apple Silicon page size
+      if (posix_memalign(&data, align, sz * sizeof(Dtype)) != 0 || !data) {
+        delete gpu_info;
+        gpu_info = nullptr;
+        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) +
+                                 " bytes of page-aligned CPU memory in ManagedGrid");
       }
-      gpu_grid.set_buffer(gpu_info->gpu_ptr);
+
+      buffer_data *info = gpu_info;
+      cpu_ptr = std::shared_ptr<Dtype>((Dtype*)data, [info](Dtype* p) {
+        free(p);
+        delete info;
+      });
+      cpu_grid.set_buffer(cpu_ptr.get());
+      // GPU grid points at the same allocation (unified memory).
+      gpu_grid.set_buffer(cpu_ptr.get());
     }
 
     template <typename... I, typename = typename std::enable_if<sizeof...(I) == NumDims>::type>
     ManagedGridBase(I... sizes) : gpu_grid(nullptr, sizes...), cpu_grid(nullptr, sizes...)
     {
-      // allocate buffer
       capacity = this->size();
-      alloc_and_set_cpu(capacity); // even with capacity == 0 need to allocate sent_to_gpu
+      alloc_and_set_cpu(capacity);
       memset(cpu_ptr.get(), 0, capacity * sizeof(Dtype));
       gpu_info->sent_to_gpu = false;
     }
 
-    ManagedGridBase(size_t *sizes): gpu_grid(nullptr, sizes), cpu_grid(nullptr, sizes)
+    ManagedGridBase(size_t *sizes) : gpu_grid(nullptr, sizes), cpu_grid(nullptr, sizes)
     {
-      // allocate buffer
       capacity = this->size();
-      alloc_and_set_cpu(capacity); // even with capacity == 0 need to allocate sent_to_gpu
+      alloc_and_set_cpu(capacity);
       memset(cpu_ptr.get(), 0, capacity * sizeof(Dtype));
       gpu_info->sent_to_gpu = false;
     }
 
-
-    // helper for clone, allocate new memory and copies contents of current ptr into it
+    // helper for clone: duplicate memory
     void clone_ptrs()
     {
       if (capacity == 0)
-      {
         return;
-      }
 
-      // duplicate cpu memory and set sent_to_gpu
       std::shared_ptr<Dtype> old = cpu_ptr;
-      buffer_data oldgpu = *gpu_info;
+      buffer_data old_info = *gpu_info;
       alloc_and_set_cpu(capacity);
       memcpy(cpu_ptr.get(), old.get(), sizeof(Dtype) * capacity);
-      gpu_info->sent_to_gpu = oldgpu.sent_to_gpu;
-
-      // if allocated, duplicate gpu, but only if it is active
-      if (oldgpu.gpu_ptr && oldgpu.sent_to_gpu)
-      {
-        alloc_and_set_gpu(capacity);
-        LMG_CUDA_CHECK(cudaMemcpy(gpu_info->gpu_ptr, oldgpu.gpu_ptr, sizeof(Dtype) * capacity, cudaMemcpyDeviceToDevice));
-      }
+      gpu_info->sent_to_gpu = old_info.sent_to_gpu;
     }
 
   public:
-    /// dimensions along each axis
     inline const size_t *dimensions() const { return cpu_grid.dimensions(); }
-    /// dimensions along specified axis
     inline size_t dimension(size_t i) const { return cpu_grid.dimension(i); }
 
-    /// offset for each dimension, all indexing calculations use this
     inline const size_t *offsets() const { return cpu_grid.offsets(); }
-    /// offset for each dimension, all indexing calculations use this
     inline size_t offset(size_t i) const { return cpu_grid.offset(i); }
 
-    /// number of elements in grid
     inline size_t size() const { return cpu_grid.size(); }
 
-    /// set contents to zero
     inline void fill_zero()
     {
-      if (ongpu())
-        gpu_grid.fill_zero();
-      else
-        cpu_grid.fill_zero();
+      memset(cpu_ptr.get(), 0, capacity * sizeof(Dtype));
     }
 
-    /** \brief Initializer list indexing
-     *
-     */
     template <typename... I>
     inline Dtype &operator()(I... indices)
     {
-      tocpu();
       return cpu_grid(indices...);
     }
 
     template <typename... I>
     inline Dtype operator()(I... indices) const
     {
-      tocpu();
       return cpu_grid(indices...);
     }
 
-    /** \brief Copy data into dest.  Should be same size, but will narrow if needed */
+    /** \brief Copy data into dest. */
     size_t copyTo(cpu_grid_t &dest) const
     {
       size_t sz = std::min(size(), dest.size());
-      if (sz == 0)
-        return 0;
-      if (ongpu())
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
-      }
-      else
-      { // host ot host
-        memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
-      }
+      if (sz == 0) return 0;
+      memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Copy data into dest.  Should be same size, but will narrow if needed */
     size_t copyTo(gpu_grid_t &dest) const
     {
       size_t sz = std::min(size(), dest.size());
-      if (sz == 0)
-        return 0;
-      if (ongpu())
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
-      }
-      else
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
-      }
+      if (sz == 0) return 0;
+      // Unified memory: same buffer, just memcpy the pointer region if different.
+      if (dest.data() != cpu_grid.data())
+        memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Copy data into dest.  Should be same size, but will narrow if needed */
     size_t copyTo(ManagedGridBase<Dtype, NumDims> &dest) const
     {
-      if (dest.ongpu())
-      {
-        return copyTo(dest.gpu_grid);
-      }
-      else
-      {
-        return copyTo(dest.cpu_grid);
-      }
+      size_t sz = std::min(size(), dest.size());
+      if (sz == 0) return 0;
+      if (dest.cpu_ptr.get() != cpu_ptr.get())
+        memcpy(dest.cpu_ptr.get(), cpu_ptr.get(), sz * sizeof(Dtype));
+      return sz;
     }
 
-    /** \brief Copy data from src.  Should be same size, but will narrow if needed */
+    /** \brief Copy data from src. */
     size_t copyFrom(const cpu_grid_t &src)
     {
       size_t sz = std::min(size(), src.size());
-      if (sz == 0)
-        return 0;
-      if (ongpu())
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
-      }
-      else
-      {
-        memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
-      }
+      if (sz == 0) return 0;
+      memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Copy data from src.  Should be same size, but will narrow if needed */
     size_t copyFrom(const gpu_grid_t &src)
     {
       size_t sz = std::min(size(), src.size());
-      if (sz == 0)
-        return 0;
-      if (ongpu())
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
-      }
-      else
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
-      }
+      if (sz == 0) return 0;
+      if (src.data() != cpu_grid.data())
+        memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Copy data from src.  Should be same size, but will narrow if needed */
     size_t copyFrom(const ManagedGridBase<Dtype, NumDims> &src)
     {
-      if (src.ongpu())
-      {
-        return copyFrom(src.gpu_grid);
-      }
-      else
-      { // on host
-        return copyFrom(src.cpu_grid);
-      }
+      size_t sz = std::min(size(), src.size());
+      if (sz == 0) return 0;
+      if (src.cpu_ptr.get() != cpu_ptr.get())
+        memcpy(cpu_ptr.get(), src.cpu_ptr.get(), sz * sizeof(Dtype));
+      return sz;
     }
 
-    /** \brief Copy data from src into this starting at start.  Should be same size, but will narrow if needed */
     size_t copyInto(size_t start, const ManagedGridBase<Dtype, NumDims> &src)
     {
       size_t off = offset(0) * start;
       size_t sz = size() - off;
       sz = std::min(sz, src.size());
-      if (sz == 0)
-        return 0;
-      if (src.ongpu())
-      {
-        if (ongpu())
-        {
-          LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
-        }
-        else
-        {
-          LMG_CUDA_CHECK(cudaMemcpy(cpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
-        }
-      }
-      else
-      { // on host
-        if (ongpu())
-        {
-          LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data() + off, src.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
-        }
-        else
-        {
-          memcpy(cpu_grid.data() + off, src.data(), sz * sizeof(Dtype));
-        }
-      }
+      if (sz == 0) return 0;
+      memcpy(cpu_ptr.get() + off, src.cpu_ptr.get(), sz * sizeof(Dtype));
       return sz;
     }
 
-    /** \brief Return a grid in the specified shape that attempts to reuse the memory of this grid.
-     * Memory will be allocated if needed.  Data will be truncated/copied as needed.
-     * DANGER!  The returned grid may or may not mirror this grid depending on the shape.
-     * This function is provided so code can be optimized to avoid unnecessary allocations and
-     * should be used carefully.
-     */
     template <typename... I, typename = typename std::enable_if<sizeof...(I) == NumDims>::type>
     ManagedGrid<Dtype, NumDims> resized(I... sizes)
     {
       cpu_grid_t g(nullptr, sizes...);
       if (g.size() <= capacity)
       {
-        // no need to allocate and copy; capacity stays the same
         ManagedGrid<Dtype, NumDims> tmp;
         tmp.cpu_ptr = cpu_ptr;
         tmp.gpu_info = gpu_info;
         tmp.cpu_grid = cpu_grid_t(cpu_ptr.get(), sizes...);
-        if (gpu_info)
-          tmp.gpu_grid = gpu_grid_t(gpu_info->gpu_ptr, sizes...);
+        tmp.gpu_grid = gpu_grid_t(cpu_ptr.get(), sizes...);
         tmp.capacity = capacity;
         return tmp;
       }
@@ -333,163 +231,77 @@ namespace libmolgrid
       {
         ManagedGrid<Dtype, NumDims> tmp(sizes...);
         if (size() > 0 && tmp.size() > 0)
-        {
-          if (ongpu())
-            tmp.togpu(); // allocate gpu memory
           copyTo(tmp);
-        }
         return tmp;
       }
     }
 
-    /** \brief Return GPU Grid view.  Host code should not access the grid
-     * until the GPU code is complete.
-     */
-    const gpu_grid_t &gpu() const
-    {
-      togpu();
-      return gpu_grid;
-    }
-    gpu_grid_t &gpu()
-    {
-      togpu();
-      return gpu_grid;
-    }
+    // ---- GPU / CPU view accessors ----
+    // On Apple Silicon unified memory: both views point at the same buffer.
 
-    /** \brief Return CPU Grid view.  GPU code should no longer access this memory.
-     */
-    const cpu_grid_t &cpu() const
-    {
-      tocpu();
-      return cpu_grid;
-    }
-    cpu_grid_t &cpu()
-    {
-      tocpu();
-      return cpu_grid;
-    }
+    const gpu_grid_t &gpu() const { togpu(); return gpu_grid; }
+    gpu_grid_t &gpu()             { togpu(); return gpu_grid; }
+
+    const cpu_grid_t &cpu() const { tocpu(); return cpu_grid; }
+    cpu_grid_t &cpu()             { tocpu(); return cpu_grid; }
 
-    /** \brief Transfer data to GPU */
-    void togpu(bool dotransfer = true) const
+    /** \brief Mark memory as "on GPU". No data copy on unified memory. */
+    void togpu(bool /*dotransfer*/ = true) const
     {
-      if (capacity == 0)
-        return;
-      // check that memory is allocated - even if data is on gpu, may still need to set this mgrid's gpu_grid
+      if (capacity == 0) return;
+      // Ensure both views point at the shared buffer.
       if (gpu_grid.data() == nullptr)
-      {
-        if (gpu_info->gpu_ptr == nullptr)
-        {
-          alloc_and_set_gpu(capacity);
-        } // otherwise some other copy has already allocated memory, just need to set
-        size_t offset = cpu_grid.data() - cpu_ptr.get(); // might be subgrid
-        gpu_grid.set_buffer(gpu_info->gpu_ptr + offset);
-      }
-      if (oncpu() && dotransfer)
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(gpu_info->gpu_ptr, cpu_ptr.get(), capacity * sizeof(Dtype), cudaMemcpyHostToDevice));
-      }
+        gpu_grid.set_buffer(cpu_ptr.get());
       if (gpu_info)
         gpu_info->sent_to_gpu = true;
     }
 
-    /** \brief Transfer data to CPU.  If not dotransfer, data is not copied back. */
-    void tocpu(bool dotransfer = true) const
+    /** \brief Mark memory as "on CPU". No data copy on unified memory. */
+    void tocpu(bool /*dotransfer*/ = true) const
     {
-      if (ongpu() && capacity > 0 && dotransfer)
-      {
-        LMG_CUDA_CHECK(cudaMemcpy(cpu_ptr.get(), gpu_info->gpu_ptr, capacity * sizeof(Dtype), cudaMemcpyDeviceToHost));
-      }
       if (gpu_info)
         gpu_info->sent_to_gpu = false;
     }
 
-    /** \brief Return true if memory is currently on GPU */
-    bool ongpu() const
-    {
-      bool ret = gpu_info && gpu_info->sent_to_gpu;
-      if (ret && gpu_grid.data() == nullptr)
-        togpu(); // needed if this is a copy made before another transfered
-      return ret;
-    }
-
-    /** \brief Return true if memory is currently on CPU */
+    bool ongpu() const { return gpu_info && gpu_info->sent_to_gpu; }
     bool oncpu() const { return gpu_info == nullptr || !gpu_info->sent_to_gpu; }
 
     operator cpu_grid_t() const { return cpu(); }
-    operator cpu_grid_t &() { return cpu(); }
-
+    operator cpu_grid_t &()     { return cpu(); }
     operator gpu_grid_t() const { return gpu(); }
-    operator gpu_grid_t &() { return gpu(); }
+    operator gpu_grid_t &()     { return gpu(); }
 
-    /// Return pointer to CPU data
-    inline const Dtype *data() const
-    {
-      tocpu();
-      return cpu().data();
-    }
-    inline Dtype *data()
-    {
-      tocpu();
-      return cpu().data();
-    }
+    inline const Dtype *data() const { return cpu_ptr.get(); }
+    inline Dtype *data()             { return cpu_ptr.get(); }
 
-    // pointer equality
     bool operator==(const ManagedGridBase<Dtype, NumDims> &rhs) const
     {
       return cpu_ptr == rhs.cpu_ptr;
     }
 
   protected:
-    // constructor used by operator[]
     friend ManagedGridBase<Dtype, NumDims - 1>;
-    explicit ManagedGridBase(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i) : gpu_grid(G.gpu_grid, i), cpu_grid(G.cpu_grid, i), cpu_ptr(G.cpu_ptr),
-                                                                                       capacity(G.capacity), gpu_info(G.gpu_info) {}
+    explicit ManagedGridBase(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i)
+        : gpu_grid(G.gpu_grid, i), cpu_grid(G.cpu_grid, i),
+          cpu_ptr(G.cpu_ptr), capacity(G.capacity), gpu_info(G.gpu_info) {}
   };
 
-  /** \brief A dense grid whose memory is managed by the class.
-   *
-   * Memory is allocated as unified memory so it can be safely accessed
-   * from either the CPU or GPU.  Note that while the memory is accessible
-   * on the GPU, ManagedGrid objects should only be used directly on the host.
-   * Device code should use a Grid view of the ManagedGrid.  Accessing ManagedGrid
-   * data from the host while the GPU is writing to the grid will result in
-   * undefined behavior.
-   *
-   * If CUDA fails to allocate unified memory (presumably due to lack of GPUs),
-   * host-only memory will be used instead.
-   *
-   * Grid is a container class of ManagedGrid instead of a base class.  Explicit
-   * transformation to a Grid view is required to clearly indicate how the memory
-   * should be accessed.  This can be done with cpu and gpu methods or by an
-   * explicit cast to Grid.
-   *
-   * There are two class specialization to support bracket indexing.
-   */
+  /** \brief A dense grid whose memory is managed by the class. */
   template <typename Dtype, std::size_t NumDims>
   class ManagedGrid : public ManagedGridBase<Dtype, NumDims>
   {
   protected:
-    ManagedGrid(size_t *sizes) : ManagedGridBase<Dtype, NumDims>(sizes)
-    {
-    }  
+    ManagedGrid(size_t *sizes) : ManagedGridBase<Dtype, NumDims>(sizes) {}
+
   public:
     using subgrid_t = ManagedGrid<Dtype, NumDims - 1>;
     using base_t = ManagedGridBase<Dtype, NumDims>;
 
-    // empty, unusable grid
     ManagedGrid() = default;
 
     template <typename... I, typename = typename std::enable_if<sizeof...(I) == NumDims>::type>
-    ManagedGrid(I... sizes) : ManagedGridBase<Dtype, NumDims>(sizes...)
-    {
-    }
+    ManagedGrid(I... sizes) : ManagedGridBase<Dtype, NumDims>(sizes...) {}
 
-    /** \brief Bracket indexing.
-     *
-     *  Accessing data this way will be safe (indices are checked) and convenient,
-     *  but not maximally efficient (unless the compiler is really good).
-     *  Use operator() for fastest (but unchecked) access or access data directly.
-     */
     subgrid_t operator[](size_t i) const
     {
       if (i >= this->cpu_grid.dimension(0))
@@ -497,7 +309,6 @@ namespace libmolgrid
       return ManagedGrid<Dtype, NumDims - 1>(*static_cast<const ManagedGridBase<Dtype, NumDims> *>(this), i);
     }
 
-    /** \brief Return a copy of this grid */
     ManagedGrid<Dtype, NumDims> clone() const
     {
       ManagedGrid<Dtype, NumDims> ret(*this);
@@ -508,11 +319,8 @@ namespace libmolgrid
     template <class Archive>
     void save(Archive &ar, const unsigned int version) const
     {
-      this->tocpu();
       for (size_t i = 0; i < NumDims; i++)
-      {
         ar << this->dimension(i);
-      }
       ar << boost::serialization::make_array(this->data(), this->size());
     }
 
@@ -521,9 +329,7 @@ namespace libmolgrid
     {
       size_t newdims[NumDims] = {0,};
       for (size_t i = 0; i < NumDims; i++)
-      {
         ar >> newdims[i];
-      }
       ManagedGrid<Dtype, NumDims> tmp(newdims);
       ar >> boost::serialization::make_array(tmp.data(), tmp.size());
       *this = tmp;
@@ -532,12 +338,12 @@ namespace libmolgrid
     BOOST_SERIALIZATION_SPLIT_MEMBER()
 
   protected:
-    // only called from regular Grid
     friend ManagedGrid<Dtype, NumDims + 1>;
-    explicit ManagedGrid<Dtype, NumDims>(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i) : ManagedGridBase<Dtype, NumDims>(G, i) {}
+    explicit ManagedGrid<Dtype, NumDims>(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i)
+        : ManagedGridBase<Dtype, NumDims>(G, i) {}
   };
 
-  // class specialization of managed grid to make final operator[] return scalar
+  // Specialization for 1-D grids.
   template <typename Dtype>
   class ManagedGrid<Dtype, 1> : public ManagedGridBase<Dtype, 1>
   {
@@ -546,33 +352,13 @@ namespace libmolgrid
     using base_t = ManagedGridBase<Dtype, 1>;
 
     ManagedGrid() = default;
-    ManagedGrid(size_t sz) : ManagedGridBase<Dtype, 1>(sz)
-    {
-    }
+    ManagedGrid(size_t sz) : ManagedGridBase<Dtype, 1>(sz) {}
 
-    inline Dtype &operator[](size_t i)
-    {
-      this->tocpu();
-      return this->cpu_grid[i];
-    }
+    inline Dtype &operator[](size_t i)       { return this->cpu_grid[i]; }
+    inline Dtype  operator[](size_t i) const { return this->cpu_grid[i]; }
 
-    inline Dtype operator[](size_t i) const
-    {
-      this->tocpu();
-      return this->cpu_grid[i];
-    }
-
-    inline Dtype &operator()(size_t a)
-    {
-      this->tocpu();
-      return this->cpu_grid(a);
-    }
-
-    inline Dtype operator()(size_t a) const
-    {
-      this->tocpu();
-      return this->cpu_grid(a);
-    }
+    inline Dtype &operator()(size_t a)       { return this->cpu_grid(a); }
+    inline Dtype  operator()(size_t a) const { return this->cpu_grid(a); }
 
     ManagedGrid<Dtype, 1> clone() const
     {
@@ -584,8 +370,7 @@ namespace libmolgrid
     template <class Archive>
     void save(Archive &ar, const unsigned int version) const
     {
-      this->tocpu();
-      ar << this->dimension(0);      
+      ar << this->dimension(0);
       ar << boost::serialization::make_array(this->data(), this->size());
     }
 
@@ -593,7 +378,7 @@ namespace libmolgrid
     void load(Archive &ar, const unsigned int version)
     {
       size_t newdim = 0;
-      ar >> newdim;      
+      ar >> newdim;
       ManagedGrid<Dtype, 1> tmp(newdim);
       ar >> boost::serialization::make_array(tmp.data(), tmp.size());
       *this = tmp;
@@ -602,9 +387,9 @@ namespace libmolgrid
     BOOST_SERIALIZATION_SPLIT_MEMBER()
 
   protected:
-    // only called from regular Grid
     friend ManagedGrid<Dtype, 2>;
-    explicit ManagedGrid<Dtype, 1>(const ManagedGridBase<Dtype, 2> &G, size_t i) : ManagedGridBase<Dtype, 1>(G, i) {}
+    explicit ManagedGrid<Dtype, 1>(const ManagedGridBase<Dtype, 2> &G, size_t i)
+        : ManagedGridBase<Dtype, 1>(G, i) {}
   };
 
 #define EXPAND_MGRID_DEFINITIONS(Z, SIZE, _)       \
@@ -613,5 +398,5 @@ namespace libmolgrid
 
   BOOST_PP_REPEAT_FROM_TO(1, LIBMOLGRID_MAX_GRID_DIM, EXPAND_MGRID_DEFINITIONS, 0);
 
-}
+} // namespace libmolgrid
 #endif /* MANAGED_GRID_H_ */
diff --git a/include/libmolgrid/metal_context.h b/include/libmolgrid/metal_context.h
new file mode 100644
index 00000000..224d4570
--- /dev/null
+++ b/include/libmolgrid/metal_context.h
@@ -0,0 +1,174 @@
+/*
+ * metal_context.h
+ *
+ * Singleton that owns the Metal device, command queue, compiled shader library,
+ * and per-kernel compute pipeline states.  All GPU dispatch goes through here.
+ *
+ * The API is plain C++ so that callers (.cpp / .mm source files) can use it
+ * without pulling in any Objective-C headers.  The implementation is in
+ * metal_context.mm (Objective-C++).
+ */
+
+#ifndef METAL_CONTEXT_H_
+#define METAL_CONTEXT_H_
+
+#include <cstddef>
+#include "libmolgrid/common.h"
+
+namespace libmolgrid {
+
+// ---- POD structs passed to Metal kernels as constant buffers ---------------
+
+// Mirrors GridMaker member variables needed inside the Metal shaders.
+struct GridMakerParams {
+    float resolution;
+    float dimension;
+    float radius_scale;
+    float gaussian_radius_multiple;
+    float final_radius_multiple;
+    float A, B, C;   // Gaussian density coefficients
+    float D, E;       // Backward-pass coefficients
+    unsigned dim;     // grid points per side
+    int binary;       // bool as int for Metal alignment
+    int radii_type_indexed;
+};
+
+// Quaternion POD for Metal kernels
+struct QuatParams {
+    float a, b, c, d;
+};
+
+// Grid layout descriptor (pointer + up to 5 dimensions + strides)
+struct GridDesc {
+    unsigned long long ptr; // cast from void* (kernel receives device pointer via buffer slot)
+    unsigned dim[5];
+    unsigned off[5];
+    unsigned ndim;
+};
+
+// ---- MetalContext -----------------------------------------------------------
+
+class MetalContext {
+public:
+    /// Return the process-wide singleton.
+    static MetalContext& instance();
+
+    // ---- Transform kernels --------------------------------------------------
+
+    void transform_forward(unsigned n,
+                           const QuatParams& Q,
+                           float3 center, float3 translate,
+                           const float* in, float* out,
+                           bool dotranslate);
+
+    void transform_backward(unsigned n,
+                            const QuatParams& invQ,
+                            float3 center, float3 translate,
+                            const float* in, float* out,
+                            bool dotranslate);
+
+    // ---- CoordinateSet kernels ----------------------------------------------
+
+    void sum_vector_types(const float* types, unsigned natoms, unsigned ntypes,
+                          float* sum);
+
+    void sum_index_types(const float* type_index, unsigned natoms,
+                         unsigned ntypes, float* sum);
+
+    // ---- GridMaker forward kernels ------------------------------------------
+
+    // Index-typed atoms (binary or gaussian)
+    void forward_index(const GridMakerParams& gm,
+                       float3 grid_origin,
+                       const float* coords, unsigned natoms,
+                       const float* type_index,
+                       const float* radii,
+                       float* out,
+                       unsigned ntypes, unsigned dim,
+                       bool binary);
+
+    // Vector-typed atoms (binary or gaussian, optionally type-indexed radii)
+    void forward_vec(const GridMakerParams& gm,
+                     float3 grid_origin,
+                     const float* coords, unsigned natoms,
+                     const float* type_vector, unsigned ntypes,
+                     const float* radii, float maxradius,
+                     float* out, unsigned dim,
+                     bool binary, bool radii_type_indexed);
+
+    // ---- GridMaker backward kernels -----------------------------------------
+
+    void backward_index(const GridMakerParams& gm,
+                        float3 grid_origin,
+                        const float* coords,
+                        const float* type_index,
+                        const float* radii,
+                        const float* grid,
+                        float* atom_gradients,
+                        unsigned natoms, unsigned ntypes, unsigned dim);
+
+    void backward_vec(const GridMakerParams& gm,
+                      float3 grid_origin,
+                      const float* coords,
+                      const float* type_vector, unsigned ntypes,
+                      const float* radii,
+                      const float* grid,
+                      float* atom_gradients,
+                      float* type_gradients,
+                      unsigned natoms, unsigned dim,
+                      bool radii_type_indexed);
+
+    void backward_gradients(const GridMakerParams& gm,
+                            float3 grid_origin,
+                            const float* coords,
+                            const float* type_vector, unsigned ntypes,
+                            const float* radii,
+                            const float* diff,
+                            const float* atom_gradients,
+                            const float* type_gradients,
+                            float* diffdiff,
+                            float* atom_diffdiff,
+                            float* type_diffdiff,
+                            unsigned natoms, unsigned dim,
+                            bool radii_type_indexed);
+
+    void backward_relevance(const GridMakerParams& gm,
+                            float3 grid_origin,
+                            const float* coords,
+                            const float* type_index,
+                            const float* radii,
+                            const float* density,
+                            const float* diff,
+                            float* relevance,
+                            unsigned natoms, unsigned ntypes, unsigned dim);
+
+    // ---- GridInterpolater kernel --------------------------------------------
+
+    void grid_interpolate(const float* in,  unsigned in_dim,
+                          float3 in_origin,  float in_res,
+                          const QuatParams& invQ,
+                          float3 untranslate, float3 center,
+                          float* out, unsigned out_dim,
+                          float3 out_origin, float out_res);
+
+    // ---- Utility ------------------------------------------------------------
+
+    /// Block the CPU until all enqueued GPU work completes.
+    void synchronize();
+
+    /// Find the maximum value in a float array on GPU (uses CPU on unified mem).
+    float max_element(const float* data, size_t n);
+
+private:
+    MetalContext();
+    ~MetalContext();
+    MetalContext(const MetalContext&) = delete;
+    MetalContext& operator=(const MetalContext&) = delete;
+
+    struct Impl;
+    Impl* impl_;
+};
+
+} // namespace libmolgrid
+
+#endif /* METAL_CONTEXT_H_ */
diff --git a/include/libmolgrid/quaternion.h b/include/libmolgrid/quaternion.h
index 11238a7d..74ef710f 100644
--- a/include/libmolgrid/quaternion.h
+++ b/include/libmolgrid/quaternion.h
@@ -6,14 +6,12 @@
 #ifndef QUATERNION_H_
 #define QUATERNION_H_
 
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 
 namespace libmolgrid {
 
 // Docstring_Quaternion
-/** \brief A CUDA friendly quaternion class.  Single precision only
- * for maximum CUDA performance.
- */
+/** \brief Quaternion class for rotations. Single precision only. */
 class Quaternion {
   public:
     typedef float fl;
@@ -25,37 +23,37 @@ class Quaternion {
     fl d;
 
   public:
-    __host__ __device__ Quaternion()
+     Quaternion()
         : a(1), b(0), c(0), d(0) {
     }
 
     /// Construct quaternion with real then unreal components
-    __host__ __device__ Quaternion(fl A, fl B, fl C, fl D)
+     Quaternion(fl A, fl B, fl C, fl D)
         : a(A), b(B), c(C), d(D) {
     }
 
     /// Return the real or scalar part.
-    __host__ __device__ inline fl R_component_1() const {
+     inline fl R_component_1() const {
       return a;
     }
 
     /// Return unreal[0]
-    __host__ __device__ inline fl R_component_2() const {
+     inline fl R_component_2() const {
       return b;
     }
 
     /// Return unreal[1]
-    __host__ __device__ inline fl R_component_3() const {
+     inline fl R_component_3() const {
       return c;
     }
 
     /// Return unreal[2]
-    __host__ __device__ inline fl R_component_4() const {
+     inline fl R_component_4() const {
       return d;
     }
 
     /// In-place multiplication by scalar (element-wise)
-    __host__ __device__ Quaternion& operator *=(const fl &r) {
+     Quaternion& operator *=(const fl &r) {
       a *= r;
       b *= r;
       c *= r;
@@ -64,7 +62,7 @@ class Quaternion {
     }
 
     /// In-place division by scalar (element-wise)
-    __host__ __device__ Quaternion& operator /=(const fl &r) {
+     Quaternion& operator /=(const fl &r) {
       a /= r;
       b /= r;
       c /= r;
@@ -73,12 +71,12 @@ class Quaternion {
     }
 
     /// Division by scalar (element-wise)
-    __host__  __device__ Quaternion operator/(const fl &r) {
+     Quaternion operator/(const fl &r) {
       return Quaternion(a/r,b/r,c/r,d/r);
     }
 
     /// Quaternion multiplication
-    __host__  __device__
+    
      inline Quaternion operator*(const Quaternion& r) const {
       const fl ar = r.R_component_1();
       const fl br = r.R_component_2();
@@ -91,18 +89,18 @@ class Quaternion {
     }
 
     /// Quaternion in-place multiplication
-    __host__ __device__ Quaternion& operator*=(const Quaternion& r) {
+     Quaternion& operator*=(const Quaternion& r) {
       *this = *this * r;
       return *this;
     }
 
     ///check bit level equality
-    __host__ __device__ bool operator==(const Quaternion& r) const {
+     bool operator==(const Quaternion& r) const {
       return a == r.a && b == r.b && c == r.c && d == r.d;
     }
 
     /// Quaternion divison
-    __host__ __device__
+    
     inline Quaternion operator/(const Quaternion& r) {
       const fl ar = r.R_component_1();
       const fl br = r.R_component_2();
@@ -120,36 +118,36 @@ class Quaternion {
     }
 
     /// Quaternion in-place divison
-    __host__ __device__ Quaternion operator/=(const Quaternion &r) {
+     Quaternion operator/=(const Quaternion &r) {
       *this = *this / r;
       return *this;
     }
 
     /// Conjugate
-    __host__ __device__ inline Quaternion conj() const {
+     inline Quaternion conj() const {
       return Quaternion(+a, -b, -c,-d);
     }
 
-    __host__ __device__
+    
     float real() const {
       return R_component_1();
     }
 
     /// The Cayley norm - the square of the Euclidean norm
-    __host__ __device__
+    
     inline float norm() const {
       return a*a+b*b+c*c+d*d;
     }
 
     /// Rotation point (x,y,z) using this quaternion.
-    __host__    __device__ float3 rotate(fl x, fl y, fl z) const {
+    float3 rotate(fl x, fl y, fl z) const {
       Quaternion p(0, x, y, z);
       p = *this * p * (conj() / norm());
       return make_float3(p.R_component_2(), p.R_component_3(), p.R_component_4());
     }
 
     /// Rotate around the provided center and translate
-    __host__ __device__ inline float3 transform(fl x, fl y, fl z, float3 center, float3 translate) const {
+     inline float3 transform(fl x, fl y, fl z, float3 center, float3 translate) const {
       float3 pt = rotate(x - center.x, y - center.y, z - center.z);
       x = pt.x + center.x + translate.x;
       y = pt.y + center.y + translate.y;
@@ -160,7 +158,7 @@ class Quaternion {
 
 
     /// Return inverse
-    __host__ __device__ Quaternion inverse() const {
+     Quaternion inverse() const {
       fl nsq = a * a + b * b + c * c + d * d;
       return Quaternion(a / nsq, -b / nsq, -c / nsq, -d / nsq);
     }
diff --git a/include/libmolgrid/transform.h b/include/libmolgrid/transform.h
index b43e4bb8..44ef2a3b 100644
--- a/include/libmolgrid/transform.h
+++ b/include/libmolgrid/transform.h
@@ -91,7 +91,7 @@ class Transform {
      * (This is for vector quantities such as gradients and normals).
      */
     template <typename Dtype>
-    __host__ void forward(const Grid<Dtype, 2, true>& in, Grid<Dtype, 2, true>& out, bool dotranslate=true) const;
+    void forward(const Grid<Dtype, 2, true>& in, Grid<Dtype, 2, true>& out, bool dotranslate=true) const;
 
     // Docstring_Transform_backward_1
     /* \brief Apply inverse of 3D transformation on CPU.
@@ -109,7 +109,7 @@ class Transform {
      * @param[in] dotranslate if false only the inverse rotation is applied
      */
     template <typename Dtype>
-    __host__ void backward(const Grid<Dtype, 2, true>& in, Grid<Dtype, 2, true>& out, bool dotranslate=true) const;
+    void backward(const Grid<Dtype, 2, true>& in, Grid<Dtype, 2, true>& out, bool dotranslate=true) const;
 
     const Quaternion& get_quaternion() const { return Q; }
     float3 get_rotation_center() const { return center; }
diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt
index c2c99b18..d0fe2b87 100644
--- a/python/CMakeLists.txt
+++ b/python/CMakeLists.txt
@@ -11,10 +11,10 @@ if(BUILD_CONTAINED_PYTHON)
 endif()
 
 if(${CMAKE_VERSION} VERSION_LESS "3.12.0") 
-	find_package( Boost COMPONENTS system filesystem python${PYTHON_VERSION_MAJOR} REQUIRED )
+	find_package( Boost COMPONENTS filesystem python${PYTHON_VERSION_MAJOR} REQUIRED )
 else()
 #minor version numbers requires newer (3.12?) version of cmake   
-  find_package( Boost COMPONENTS system filesystem python${PYTHON_VERSION_MAJOR}${PYTHON_VERSION_MINOR} REQUIRED )
+  find_package( Boost COMPONENTS filesystem python${PYTHON_VERSION_MAJOR}${PYTHON_VERSION_MINOR} REQUIRED )
 endif()
 
 find_package( NumPy )
@@ -54,11 +54,14 @@ if(BUILD_CONTAINED_PYTHON)
   # create a python library with as few runtime dependencies as possible
   add_link_options("LINKER:--exclude-libs,ALL")  # avoid exporting stdc++ symbols
   add_library(molgrid SHARED ${PYMOLGRID_SOURCES})
-  target_link_libraries(molgrid ${Boost_LIBRARIES} ${CUDA_LIBRARIES} libmolgrid_static  -static-libstdc++ -static-libgcc)
+  target_link_libraries(molgrid ${Boost_LIBRARIES} ${PYTHON_LIBRARY}
+      libmolgrid_static "-framework Metal" "-framework Foundation"
+      -static-libstdc++ -static-libgcc)
 else()
 # create the lib
   add_library(molgrid SHARED ${PYMOLGRID_SOURCES})
-  target_link_libraries(molgrid ${Boost_LIBRARIES} ${CUDA_LIBRARIES} libmolgrid_shared)
+  target_link_libraries(molgrid ${Boost_LIBRARIES} ${PYTHON_LIBRARY}
+      libmolgrid_shared "-framework Metal" "-framework Foundation")
 endif()
 
 # Suppress prefix "lib" because Python does not allow this prefix
diff --git a/python/bindings.in.cpp b/python/bindings.in.cpp
index 65158ff0..80df2067 100644
--- a/python/bindings.in.cpp
+++ b/python/bindings.in.cpp
@@ -404,8 +404,9 @@ BOOST_PYTHON_MODULE(molgrid)
       "Set if generated grids should be on GPU by default.");
   def("tofloatptr", +[](long val) { return Pointer<float>((float*)val);}, "Return integer as float *");
   def("todoubleptr", +[](long val) { return Pointer<double>((double*)val);}, "Return integer as double *");
-  def("set_gpu_device", +[](int device)->void {LMG_CUDA_CHECK(cudaSetDevice(device));}, "Set current GPU device.");
-  def("get_gpu_device", +[]()->int {int device = 0; LMG_CUDA_CHECK(cudaGetDevice(&device)); return device;}, "Get current GPU device.");
+  // Apple Silicon: single unified GPU, device is always 0.
+  def("set_gpu_device", +[](int device)->void { (void)device; }, "Set current GPU device (no-op on Apple Silicon).");
+  def("get_gpu_device", +[]()->int { return 0; }, "Get current GPU device (always 0 on Apple Silicon).");
 
   //type converters
   py_pair<int, float>();
diff --git a/python/bindings_grids.cpp b/python/bindings_grids.cpp
index 26a007fc..75ea60e0 100644
--- a/python/bindings_grids.cpp
+++ b/python/bindings_grids.cpp
@@ -119,8 +119,8 @@ struct Grid_from_python {
         }
         if(info.isGPU && hasattr(t,"device") && hasattr(t.attr("device"), "index")) {
           int d = extract<int>(t.attr("device").attr("index"));
+          // Apple Silicon: single unified GPU device (always 0)
           int currd = 0;
-          LMG_CUDA_CHECK(cudaGetDevice(&currd));
           if(currd != d) {
             throw std::invalid_argument("Attempt to use GPU tensor on different device ("+itoa(d)+") than current device ("+itoa(currd)+").  Change location of tensor or change current device.");
           }
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index 8aa92d6a..afab55cc 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -8,17 +8,18 @@ set( LIBMOLGRID_SOURCES
  example_provider.cpp
  example_dataset.cpp
  grid_maker.cpp
- grid_maker.cu
+ grid_maker_gpu.mm
  coordinateset.cpp
- coordinateset.cu
+ coordinateset_gpu.mm
  coord_cache.cpp
  transform.cpp
- transform.cu
+ transform_gpu.mm
  grid_io.cpp
  grid_interpolater.cpp
- grid_interpolater.cu
+ grid_interpolater_gpu.mm
  cartesian_grid.cpp
  string_cache.cpp
+ metal_context.mm
 )
 
 set( LIBMOLGRID_HEADERS
@@ -41,27 +42,79 @@ set( LIBMOLGRID_HEADERS
  ../include/libmolgrid/grid_io.h
  ../include/libmolgrid/cartesian_grid.h
  ../include/libmolgrid/string_cache.h
+ ../include/libmolgrid/metal_context.h
 )
 
 set ( LIBMOLGRID_HEADERS ${LIBMOLGRID_HEADERS}  PARENT_SCOPE)
-#include_directories (${Boost_INCLUDE_DIRS})
-#include_directories(${OPENBABEL3_INCLUDE_DIR})
 
 if(BUILD_SHARED)
     add_library(libmolgrid_shared SHARED ${LIBMOLGRID_HEADERS} ${LIBMOLGRID_SOURCES})
-    SET_TARGET_PROPERTIES(libmolgrid_shared PROPERTIES OUTPUT_NAME molgrid CUDA_SEPARABLE_COMPILATION OFF)
-    target_link_libraries(libmolgrid_shared ${OPENBABEL3_LIBRARIES} ${Boost_LIBRARIES} ${ZLIB_LIBRARIES})
+    SET_TARGET_PROPERTIES(libmolgrid_shared PROPERTIES OUTPUT_NAME molgrid)
+    target_link_libraries(libmolgrid_shared
+        ${OPENBABEL3_LIBRARIES}
+        ${Boost_LIBRARIES}
+        ${ZLIB_LIBRARIES}
+        "-framework Metal"
+        "-framework Foundation"
+    )
     install(TARGETS libmolgrid_shared DESTINATION lib)
 endif()
 
 if(BUILD_STATIC)
     add_library(libmolgrid_static STATIC ${LIBMOLGRID_HEADERS} ${LIBMOLGRID_SOURCES})
-    SET_TARGET_PROPERTIES(libmolgrid_static PROPERTIES OUTPUT_NAME molgrid CUDA_SEPARABLE_COMPILATION OFF POSITION_INDEPENDENT_CODE ON )
-    target_link_libraries(libmolgrid_static ${OPENBABEL3_LIBRARIES} ${Boost_LIBRARIES} ${ZLIB_LIBRARIES})
-    #install libs
+    SET_TARGET_PROPERTIES(libmolgrid_static PROPERTIES OUTPUT_NAME molgrid POSITION_INDEPENDENT_CODE ON)
+    target_link_libraries(libmolgrid_static
+        ${OPENBABEL3_LIBRARIES}
+        ${Boost_LIBRARIES}
+        ${ZLIB_LIBRARIES}
+        "-framework Metal"
+        "-framework Foundation"
+    )
     install(TARGETS libmolgrid_static DESTINATION lib)
 endif()
 
+# Compile Metal shaders → libmolgrid_shaders.metallib
+find_program(XCRUN xcrun REQUIRED)
 
-#install headers
-install(FILES ${LIBMOLGRID_HEADERS} ${PROJECT_BINARY_DIR}/include/libmolgrid/config.h DESTINATION include/libmolgrid)
+set(METAL_SOURCE ${CMAKE_CURRENT_SOURCE_DIR}/metal/shaders.metal)
+set(METAL_AIR    ${CMAKE_CURRENT_BINARY_DIR}/shaders.air)
+set(METAL_LIB    ${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib)
+
+# Pass the metallib path to metal_context.mm at compile time
+target_compile_definitions(libmolgrid_shared PRIVATE
+    METAL_LIBRARY_PATH="${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib")
+if(BUILD_STATIC)
+    target_compile_definitions(libmolgrid_static PRIVATE
+        METAL_LIBRARY_PATH="${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib")
+endif()
+
+add_custom_command(
+    OUTPUT  ${METAL_AIR}
+    COMMAND ${XCRUN} -sdk macosx metal
+            -std=metal3.0
+            -O2
+            -c ${METAL_SOURCE}
+            -o ${METAL_AIR}
+    DEPENDS ${METAL_SOURCE}
+    COMMENT "Compiling Metal shaders to AIR"
+)
+
+add_custom_command(
+    OUTPUT  ${METAL_LIB}
+    COMMAND ${XCRUN} -sdk macosx metallib ${METAL_AIR} -o ${METAL_LIB}
+    DEPENDS ${METAL_AIR}
+    COMMENT "Linking Metal AIR → metallib"
+)
+
+add_custom_target(metal_shaders ALL DEPENDS ${METAL_LIB})
+
+if(BUILD_SHARED)
+    add_dependencies(libmolgrid_shared metal_shaders)
+endif()
+if(BUILD_STATIC)
+    add_dependencies(libmolgrid_static metal_shaders)
+endif()
+
+install(FILES ${METAL_LIB} DESTINATION lib)
+install(FILES ${LIBMOLGRID_HEADERS} ${PROJECT_BINARY_DIR}/include/libmolgrid/config.h
+        DESTINATION include/libmolgrid)
diff --git a/src/coord_cache.cpp b/src/coord_cache.cpp
index d285ce2b..306db2f1 100644
--- a/src/coord_cache.cpp
+++ b/src/coord_cache.cpp
@@ -11,7 +11,7 @@
 #include <boost/algorithm/string.hpp>
 #include <boost/filesystem.hpp>
 #include <boost/filesystem/path.hpp>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 #include <openbabel/obconversion.h>
 
 namespace libmolgrid {
diff --git a/src/coordinateset.cpp b/src/coordinateset.cpp
index af1a8671..d7c87bc7 100644
--- a/src/coordinateset.cpp
+++ b/src/coordinateset.cpp
@@ -4,7 +4,7 @@
  *  Created on: Mar 22, 2019
  *      Author: dkoes
  */
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 
 #include "libmolgrid/coordinateset.h"
 #include "libmolgrid/atom_typer.h"
diff --git a/src/coordinateset_gpu.mm b/src/coordinateset_gpu.mm
new file mode 100644
index 00000000..e7024ac0
--- /dev/null
+++ b/src/coordinateset_gpu.mm
@@ -0,0 +1,33 @@
+/*
+ * coordinateset_gpu.mm
+ *
+ * Metal (MPS) GPU dispatch for CoordinateSet type-summation.
+ * Replaces the original coordinateset.cu.
+ */
+
+#include "libmolgrid/coordinateset.h"
+#include "libmolgrid/metal_context.h"
+
+namespace libmolgrid {
+
+void CoordinateSet::sum_types(Grid<float, 1, true>& sum, bool zerofirst) const
+{
+    if (zerofirst) sum.fill_zero();
+    int NT = num_types();
+
+    if (!has_vector_types()) {
+        MetalContext::instance().sum_index_types(
+            type_index.gpu().data(),
+            type_index.size(),
+            NT,
+            sum.data());
+    } else {
+        MetalContext::instance().sum_vector_types(
+            type_vector.gpu().data(),
+            type_vector.dimension(0),
+            NT,
+            sum.data());
+    }
+}
+
+} // namespace libmolgrid
diff --git a/src/example.cpp b/src/example.cpp
index 4ef28501..0e804c97 100644
--- a/src/example.cpp
+++ b/src/example.cpp
@@ -9,7 +9,7 @@
 #include <string>
 #include <unordered_set>
 #include <boost/algorithm/string.hpp>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 
 #include "libmolgrid/example.h"
 
@@ -259,11 +259,7 @@ void Example::extract_labels(const vector<Example>& examples, Grid<float, 2, isC
   for(unsigned i = 0, n = examples.size(); i < n; i++) {
     const vector<float>& labels = examples[i].labels;
     if(labels.size() != nlabels) throw logic_error("Non-uniform number of labels: "+itoa(nlabels) +" vs "+ itoa(labels.size()));
-    if(isCUDA) {
-      LMG_CUDA_CHECK(cudaMemcpy(out[i].data(), &labels[0], sizeof(float)*nlabels, cudaMemcpyHostToDevice));
-    } else {
-      memcpy(out[i].data(), &labels[0], sizeof(float)*nlabels);
-    }
+    memcpy(out[i].data(), &labels[0], sizeof(float)*nlabels);
   }
 }
 
@@ -285,11 +281,7 @@ void Example::extract_label(const std::vector<Example>& examples, unsigned label
     if(labelpos >= examples[i].labels.size()) throw std::out_of_range("labelpos invalid (nonuniform labels): " +itoa(labelpos) + " >= " + itoa(examples[i].labels.size()));
     labels[i] = examples[i].labels[labelpos];
   }
-   if(isCUDA) {
-     LMG_CUDA_CHECK(cudaMemcpy(out.data(), &labels[0], sizeof(float)*N, cudaMemcpyHostToDevice));
-   } else {
-     memcpy(out.data(), &labels[0], sizeof(float)*N);
-   }
+   memcpy(out.data(), &labels[0], sizeof(float)*N);
 }
 
 template void Example::extract_label(const vector<Example>&, unsigned, Grid<float, 1, false>& );
diff --git a/src/example_extractor.cpp b/src/example_extractor.cpp
index dc1c1349..1e070734 100644
--- a/src/example_extractor.cpp
+++ b/src/example_extractor.cpp
@@ -10,7 +10,7 @@
 
 #include <boost/algorithm/string.hpp>
 #include <boost/filesystem/path.hpp>
-#include <cuda_runtime.h>
+#include "libmolgrid/common.h"
 #include <openbabel/obconversion.h>
 
 namespace libmolgrid {
diff --git a/src/grid_interpolater.cpp b/src/grid_interpolater.cpp
index e5677ed9..d8718871 100644
--- a/src/grid_interpolater.cpp
+++ b/src/grid_interpolater.cpp
@@ -79,4 +79,43 @@ namespace libmolgrid {
   template void GridInterpolater::checkGrids(const Grid<double, 4, false>& in, const Grid<double, 4, false>& out) const;
   template void GridInterpolater::checkGrids(const Grid<float, 4, true>& in, const Grid<float, 4, true>& out) const;
 
+  // ---------------------------------------------------------------------------
+  // Definitions previously in grid_interpolater.cu (CPU-callable)
+  // ---------------------------------------------------------------------------
+
+  template <typename Dtype, bool isCUDA>
+  Dtype GridInterpolater::get_pt(const Grid<Dtype, 3, isCUDA>& in, int x, int y, int z) const {
+    if (x < 0 || x >= int(in_dim) || y < 0 || y >= int(in_dim) || z < 0 || z >= int(in_dim))
+      return 0;
+    return in[x][y][z];
+  }
+
+  template <typename Dtype, bool isCUDA>
+  Dtype GridInterpolater::interpolate(const Grid<Dtype, 3, isCUDA>& in, float3 gridpt) const {
+    int xl = (int)floor(gridpt.x), xh = (int)ceil(gridpt.x);
+    int yl = (int)floor(gridpt.y), yh = (int)ceil(gridpt.y);
+    int zl = (int)floor(gridpt.z), zh = (int)ceil(gridpt.z);
+
+    Dtype p000 = get_pt(in,xl,yl,zl), p001 = get_pt(in,xl,yl,zh);
+    Dtype p010 = get_pt(in,xl,yh,zl), p011 = get_pt(in,xl,yh,zh);
+    Dtype p100 = get_pt(in,xh,yl,zl), p101 = get_pt(in,xh,yl,zh);
+    Dtype p110 = get_pt(in,xh,yh,zl), p111 = get_pt(in,xh,yh,zh);
+
+    Dtype xd = xh > xl ? (gridpt.x-xl)/(xh-xl) : 0;
+    Dtype yd = yh > yl ? (gridpt.y-yl)/(yh-yl) : 0;
+    Dtype zd = zh > zl ? (gridpt.z-zl)/(zh-zl) : 0;
+
+    Dtype c00 = p000*(1-xd) + p100*xd;
+    Dtype c01 = p001*(1-xd) + p101*xd;
+    Dtype c10 = p010*(1-xd) + p110*xd;
+    Dtype c11 = p011*(1-xd) + p111*xd;
+    Dtype c0  = c00*(1-yd)  + c10*yd;
+    Dtype c1  = c01*(1-yd)  + c11*yd;
+    return c0*(1-zd) + c1*zd;
+  }
+
+  template float  GridInterpolater::interpolate(const Grid<float,  3, true>&  in, float3 pt) const;
+  template float  GridInterpolater::interpolate(const Grid<float,  3, false>& in, float3 pt) const;
+  template double GridInterpolater::interpolate(const Grid<double, 3, false>& in, float3 pt) const;
+
 }
diff --git a/src/grid_interpolater_gpu.mm b/src/grid_interpolater_gpu.mm
new file mode 100644
index 00000000..23ede4b4
--- /dev/null
+++ b/src/grid_interpolater_gpu.mm
@@ -0,0 +1,59 @@
+/*
+ * grid_interpolater_gpu.mm
+ *
+ * Metal (MPS) GPU dispatch for GridInterpolater::forward (GPU overloads).
+ * Replaces the original grid_interpolater.cu.
+ *
+ * The CPU implementation (isCUDA=false overloads) remains in grid_interpolater.cpp.
+ */
+
+#include "libmolgrid/grid_interpolater.h"
+#include "libmolgrid/metal_context.h"
+
+namespace libmolgrid {
+
+template <typename Dtype>
+void GridInterpolater::forward(float3 in_center,
+                                const Grid<Dtype, 4, true>& in,
+                                const Transform& transform,
+                                float3 out_center,
+                                Grid<Dtype, 4, true>& out) const
+{
+    checkGrids(in, out);
+    float3 center    = transform.get_rotation_center();
+    float  in_radius = in_dimension  / 2.0f;
+    float  out_radius= out_dimension / 2.0f;
+    float3 in_origin = {in_center.x  - in_radius,
+                        in_center.y  - in_radius,
+                        in_center.z  - in_radius};
+    float3 out_origin= {out_center.x - out_radius,
+                        out_center.y - out_radius,
+                        out_center.z - out_radius};
+
+    Quaternion invQ  = transform.get_quaternion().inverse();
+    float3 t         = transform.get_translation();
+    float3 untranslate = {-t.x - center.x,
+                          -t.y - center.y,
+                          -t.z - center.z};
+
+    QuatParams qp { invQ.R_component_1(), invQ.R_component_2(),
+                    invQ.R_component_3(), invQ.R_component_4() };
+
+    unsigned K = in.dimension(0);
+    for (unsigned c = 0; c < K; c++) {
+        // Grid<Dtype,3,true> is just a view into the same buffer.
+        const float* in_ch  = reinterpret_cast<const float*>(in[c].data());
+        float*       out_ch = reinterpret_cast<float*>(out[c].data());
+
+        MetalContext::instance().grid_interpolate(
+            in_ch,  in_dim,  in_origin,  in_resolution,
+            qp, untranslate, center,
+            out_ch, out_dim, out_origin, out_resolution);
+    }
+}
+
+template void GridInterpolater::forward(float3,
+    const Grid<float, 4, true>&, const Transform&,
+    float3, Grid<float, 4, true>&) const;
+
+} // namespace libmolgrid
diff --git a/src/grid_maker.cpp b/src/grid_maker.cpp
index a0244826..12797bcd 100644
--- a/src/grid_maker.cpp
+++ b/src/grid_maker.cpp
@@ -8,9 +8,44 @@
 #include <cmath>
 #include <vector>
 #include <iomanip>
+#include <algorithm>
 
 namespace libmolgrid {
 
+// Helper used by calc_point specializations
+static inline float sqDistance(float3 pt, float x, float y, float z) {
+  float ret;
+  float tmp = pt.x - x; ret  = tmp * tmp;
+  tmp = pt.y - y;       ret += tmp * tmp;
+  tmp = pt.z - z;       ret += tmp * tmp;
+  return ret;
+}
+
+// Explicit specializations must appear before any implicit instantiation.
+template<>
+float GridMaker::calc_point<false>(float ax, float ay, float az, float ar,
+    const float3& grid_coords) const {
+  float rsq = sqDistance(grid_coords, ax, ay, az);
+  ar *= radius_scale;
+  float dist = sqrtf(rsq);
+  if (dist > ar * final_radius_multiple) return 0.0f;
+  if (dist <= ar * gaussian_radius_multiple) {
+    float ex = -2.0f * dist * dist / (ar * ar);
+    return expf(ex);
+  }
+  float dr = dist / ar;
+  float q = (A * dr + B) * dr + C;
+  return q > 0 ? q : 0;
+}
+
+template<>
+float GridMaker::calc_point<true>(float ax, float ay, float az, float ar,
+    const float3& grid_coords) const {
+  float rsq = sqDistance(grid_coords, ax, ay, az);
+  ar *= radius_scale;
+  return (rsq < ar * ar) ? 1.0f : 0.0f;
+}
+
 
 void GridMaker::initialize(float res, float d, bool bin, float rscale, float grm) {
   resolution = res;
@@ -710,4 +745,86 @@ template void GridMaker::backward_relevance(float3,  const Grid<float, 2, false>
     const Grid<float, 1, false>&, const Grid<float, 1, false>&, const Grid<double, 4, false>&,
     const Grid<double, 4, false>& , Grid<double, 1, false>& ) const;
 
+// ---------------------------------------------------------------------------
+// Definitions previously in grid_maker.cu (non-kernel, CPU-callable functions)
+// ---------------------------------------------------------------------------
+
+uint2 GridMaker::get_bounds_1d(const float grid_origin,
+    float coord, float densityrad) const {
+  uint2 bounds{0, 0};
+  float low = coord - densityrad - grid_origin;
+  if (low > 0) bounds.x = (unsigned)floor(low / resolution);
+  float high = coord + densityrad - grid_origin;
+  if (high > 0) bounds.y = std::min(dim, (unsigned)ceil(high / resolution));
+  return bounds;
+}
+
+float GridMaker::type_grad_grad(float a, float x, float dist, float r) {
+  float dist2 = dist * dist;
+  if (dist > r * final_radius_multiple) return 0.0f;
+  if (dist <= r * gaussian_radius_multiple) {
+    float r2 = r * r;
+    float ex = -2.0f * dist2 / r2;
+    return 16*(a-x)*(a-x)*expf(ex)/(r2*r2) - 4*expf(ex)/(r2);
+  }
+  float ax = a - x, ax2 = ax * ax;
+  float term1 = -(E + D*dist/r)*ax2/(powf(dist2,1.5f)*r);
+  float term2 = D*ax2/(dist2*r*r);
+  float term3 = (E + D*dist/r)/(dist*r);
+  return term1 + term2 + term3;
+}
+
+float GridMaker::atom_density_grad_grad(float a, float x, float dist, float r) {
+  float dist2 = dist * dist;
+  if (dist > r * final_radius_multiple) return 0.0f;
+  if (dist <= r * gaussian_radius_multiple) {
+    float r2 = r * r;
+    float ex = -2.0f * dist2 / r2;
+    return 16*(a-x)*(a-x)*expf(ex)/(r2*r2) - 4*expf(ex)/(r2);
+  }
+  float ax = a - x, ax2 = ax * ax;
+  float term1 = -(E + D*dist/r)*ax2/(powf(dist2,1.5f)*r);
+  float term2 = D*ax2/(dist2*r*r);
+  float term3 = (E + D*dist/r)/(dist*r);
+  return term1 + term2 + term3;
+}
+
+float GridMaker::atom_density_grad_grad_other(float a, float x, float b, float y, float dist, float r) {
+  float dist2 = dist * dist;
+  if (dist > r * final_radius_multiple) return 0.0f;
+  if (dist <= r * gaussian_radius_multiple) {
+    float r2 = r * r;
+    float ex = -2.0f * dist2 / r2;
+    return 16*(a-x)*(b-y)*expf(ex)/(r2*r2);
+  }
+  float ax = a - x, by = b - y;
+  float term1 = -(E + D*dist/r)*ax*by/(powf(dist2,1.5f)*r);
+  float term2 = D*ax*by/(dist2*r*r);
+  return term1 + term2;
+}
+
+float GridMaker::density_grad_dist(float dist, float ar) const {
+  float dist2 = dist * dist;
+  if (dist > ar * final_radius_multiple) return NAN;
+  if (dist <= ar * gaussian_radius_multiple) {
+    float ex = -2.0f * dist2 / (ar * ar);
+    return (-4.0f * dist / (ar * ar)) * expf(ex);
+  }
+  return (D*dist/ar + E)/ar;
+}
+
+void GridMaker::accumulate_atom_gradient(float ax, float ay, float az,
+    float x, float y, float z, float ar, float gridval, float3& agrad) const {
+  float dist_x = x - ax, dist_y = y - ay, dist_z = z - az;
+  float dist2 = dist_x*dist_x + dist_y*dist_y + dist_z*dist_z;
+  double dist = sqrt(dist2);
+  ar *= radius_scale;
+  float agrad_dist = density_grad_dist(dist, ar);
+  if (dist > 0 && isfinite(agrad_dist)) {
+    agrad.x += -(dist_x / dist) * (agrad_dist * gridval);
+    agrad.y += -(dist_y / dist) * (agrad_dist * gridval);
+    agrad.z += -(dist_z / dist) * (agrad_dist * gridval);
+  }
+}
+
 }
diff --git a/src/grid_maker_gpu.mm b/src/grid_maker_gpu.mm
new file mode 100644
index 00000000..ea947a1e
--- /dev/null
+++ b/src/grid_maker_gpu.mm
@@ -0,0 +1,353 @@
+/*
+ * grid_maker_gpu.mm
+ *
+ * Metal (MPS) GPU dispatch for GridMaker forward / backward passes.
+ * Replaces the original grid_maker.cu.
+ *
+ * The CPU implementations remain in grid_maker.cpp.
+ * This file only provides the isCUDA=true overloads.
+ */
+
+#include "libmolgrid/grid_maker.h"
+#include "libmolgrid/metal_context.h"
+#include <algorithm>  // std::max_element
+
+namespace libmolgrid {
+
+// ---------------------------------------------------------------------------
+// Helper: access GridMaker protected members via a derived-struct accessor.
+// In C++ a derived class may access protected members of its own instances.
+// ---------------------------------------------------------------------------
+struct GridMakerAccessor : public GridMaker {
+    static GridMakerParams build(const GridMakerAccessor& g) {
+        GridMakerParams p;
+        p.resolution               = g.resolution;
+        p.dimension                = g.dimension;
+        p.radius_scale             = g.radius_scale;
+        p.gaussian_radius_multiple = g.gaussian_radius_multiple;
+        p.final_radius_multiple    = g.final_radius_multiple;
+        p.A  = g.A;  p.B  = g.B;  p.C  = g.C;
+        p.D  = g.D;  p.E  = g.E;
+        p.dim                      = g.dim;
+        p.binary                   = g.binary ? 1 : 0;
+        p.radii_type_indexed       = g.radii_type_indexed ? 1 : 0;
+        return p;
+    }
+};
+
+static GridMakerParams makeParams(const GridMaker& gm) {
+    return GridMakerAccessor::build(
+        static_cast<const GridMakerAccessor&>(gm));
+}
+
+// ===========================================================================
+// Forward  –  Index types
+// ===========================================================================
+
+// Helper: run index-type forward into a float buffer, then copy to Dtype if needed.
+static void forward_index_impl(const GridMaker& gm, float3 grid_origin,
+                                const Grid<float,2,true>& coords,
+                                const Grid<float,1,true>& type_index,
+                                const Grid<float,1,true>& radii,
+                                float* out_ptr, unsigned ntypes, unsigned dim, bool binary)
+{
+    MetalContext::instance().forward_index(
+        makeParams(gm), grid_origin,
+        coords.data(),    coords.dimension(0),
+        type_index.data(),
+        radii.data(),
+        out_ptr,
+        ntypes, dim, binary);
+}
+
+template <typename Dtype>
+void GridMaker::forward(float3 grid_center,
+                         const Grid<float, 2, true>& coords,
+                         const Grid<float, 1, true>& type_index,
+                         const Grid<float, 1, true>& radii,
+                         Grid<Dtype, 4, true>& out) const
+{
+    check_index_args(coords, type_index, radii, out);
+    if (radii_type_indexed)
+        throw std::invalid_argument(
+            "Type indexed radii not supported with index types.");
+    if (dim == 0)
+        throw std::invalid_argument("Zero sized grid.");
+
+    float3 grid_origin = get_grid_origin(grid_center);
+    out.fill_zero();
+    if (coords.dimension(0) == 0) return;
+
+    if constexpr (std::is_same<Dtype, float>::value) {
+        forward_index_impl(*this, grid_origin, coords, type_index, radii,
+                           out.data(), out.dimension(0), dim, binary);
+    } else {
+        // Metal GPU only supports float; compute into a temp buffer then widen.
+        size_t n = out.size();
+        std::vector<float> tmp(n, 0.0f);
+        forward_index_impl(*this, grid_origin, coords, type_index, radii,
+                           tmp.data(), out.dimension(0), dim, binary);
+        for (size_t i = 0; i < n; ++i) out.data()[i] = static_cast<Dtype>(tmp[i]);
+    }
+}
+
+template void GridMaker::forward(float3, const Grid<float,2,true>&,
+    const Grid<float,1,true>&, const Grid<float,1,true>&, Grid<float,4,true>&) const;
+template void GridMaker::forward(float3, const Grid<float,2,true>&,
+    const Grid<float,1,true>&, const Grid<float,1,true>&, Grid<double,4,true>&) const;
+
+// Batched overloads delegate to the single-example overload (loop on CPU).
+template void GridMaker::forward<float,2,true>(const Grid<float,2,true>&,
+    const Grid<float,3,true>&, const Grid<float,2,true>&,
+    const Grid<float,2,true>&, Grid<float,5,true>&) const;
+template void GridMaker::forward<float,3,true>(const Grid<float,2,true>&,
+    const Grid<float,3,true>&, const Grid<float,3,true>&,
+    const Grid<float,2,true>&, Grid<float,5,true>&) const;
+template void GridMaker::forward<double,2,true>(const Grid<float,2,true>&,
+    const Grid<float,3,true>&, const Grid<float,2,true>&,
+    const Grid<float,2,true>&, Grid<double,5,true>&) const;
+template void GridMaker::forward<double,3,true>(const Grid<float,2,true>&,
+    const Grid<float,3,true>&, const Grid<float,3,true>&,
+    const Grid<float,2,true>&, Grid<double,5,true>&) const;
+
+// ===========================================================================
+// Forward  –  Vector types
+// ===========================================================================
+
+static void forward_vec_impl(const GridMaker& gm, float3 grid_origin,
+                              const Grid<float,2,true>& coords,
+                              const Grid<float,2,true>& type_vector,
+                              const Grid<float,1,true>& radii, float maxr,
+                              float* out_ptr, unsigned dim, bool binary, bool rti)
+{
+    unsigned ntypes = type_vector.dimension(1);
+    MetalContext::instance().forward_vec(
+        makeParams(gm), grid_origin,
+        coords.data(),      coords.dimension(0),
+        type_vector.data(), ntypes,
+        radii.data(),       maxr,
+        out_ptr,            dim,
+        binary,             rti);
+}
+
+template <typename Dtype>
+void GridMaker::forward(float3 grid_center,
+                         const Grid<float, 2, true>& coords,
+                         const Grid<float, 2, true>& type_vector,
+                         const Grid<float, 1, true>& radii,
+                         Grid<Dtype, 4, true>& out) const
+{
+    check_vector_args(coords, type_vector, radii, out);
+    float3 grid_origin = get_grid_origin(grid_center);
+
+    out.fill_zero();
+    if (coords.dimension(0) == 0) return;
+
+    float maxr = 0.0f;
+    if (radii_type_indexed) {
+        const float* rd = radii.data();
+        maxr = *std::max_element(rd, rd + radii.size());
+    }
+
+    if constexpr (std::is_same<Dtype, float>::value) {
+        forward_vec_impl(*this, grid_origin, coords, type_vector, radii, maxr,
+                         out.data(), dim, binary, radii_type_indexed);
+    } else {
+        size_t n = out.size();
+        std::vector<float> tmp(n, 0.0f);
+        forward_vec_impl(*this, grid_origin, coords, type_vector, radii, maxr,
+                         tmp.data(), dim, binary, radii_type_indexed);
+        for (size_t i = 0; i < n; ++i) out.data()[i] = static_cast<Dtype>(tmp[i]);
+    }
+}
+
+template void GridMaker::forward(float3, const Grid<float,2,true>&,
+    const Grid<float,2,true>&, const Grid<float,1,true>&, Grid<float,4,true>&) const;
+template void GridMaker::forward(float3, const Grid<float,2,true>&,
+    const Grid<float,2,true>&, const Grid<float,1,true>&, Grid<double,4,true>&) const;
+
+// ===========================================================================
+// Backward  –  Index types
+// ===========================================================================
+
+template <typename Dtype>
+void GridMaker::backward(float3 grid_center,
+                          const Grid<float, 2, true>& coords,
+                          const Grid<float, 1, true>& type_index,
+                          const Grid<float, 1, true>& radii,
+                          const Grid<Dtype, 4, true>& grid,
+                          Grid<Dtype, 2, true>& atom_gradients) const
+{
+    atom_gradients.fill_zero();
+    unsigned n = coords.dimension(0);
+    if (n != type_index.size())
+        throw std::invalid_argument("Type dimension doesn't equal number of coordinates.");
+    if (n != radii.size())
+        throw std::invalid_argument("Radii dimension doesn't equal number of coordinates");
+    if (n != atom_gradients.dimension(0))
+        throw std::invalid_argument("Gradient dimension doesn't equal number of coordinates");
+    if (coords.dimension(1) != 3)
+        throw std::invalid_argument("Coordinates wrong secondary dimension (!= 3)");
+    if (radii_type_indexed)
+        throw std::invalid_argument("Type indexed radii not supported with index types.");
+
+    if (n == 0) return;
+    float3 grid_origin = get_grid_origin(grid_center);
+
+    MetalContext::instance().backward_index(
+        makeParams(*this), grid_origin,
+        coords.data(), type_index.data(), radii.data(),
+        reinterpret_cast<const float*>(grid.data()),
+        reinterpret_cast<float*>(atom_gradients.data()),
+        n, grid.dimension(0), dim);
+}
+
+template void GridMaker::backward(float3, const Grid<float,2,true>&,
+    const Grid<float,1,true>&, const Grid<float,1,true>&,
+    const Grid<float,4,true>&, Grid<float,2,true>&) const;
+template void GridMaker::backward(float3, const Grid<float,2,true>&,
+    const Grid<float,1,true>&, const Grid<float,1,true>&,
+    const Grid<double,4,true>&, Grid<double,2,true>&) const;
+
+// ===========================================================================
+// Backward  –  Vector types
+// ===========================================================================
+
+template <typename Dtype>
+void GridMaker::backward(float3 grid_center,
+                          const Grid<float, 2, true>& coords,
+                          const Grid<float, 2, true>& type_vector,
+                          const Grid<float, 1, true>& radii,
+                          const Grid<Dtype, 4, true>& grid,
+                          Grid<Dtype, 2, true>& atom_gradients,
+                          Grid<Dtype, 2, true>& type_gradients) const
+{
+    atom_gradients.fill_zero();
+    type_gradients.fill_zero();
+    unsigned n      = coords.dimension(0);
+    unsigned ntypes = type_vector.dimension(1);
+
+    if (n != type_vector.dimension(0))
+        throw std::invalid_argument("Type dimension doesn't equal number of coordinates.");
+    if (ntypes != grid.dimension(0))
+        throw std::invalid_argument("Channels in diff doesn't equal number of types");
+    if (n != atom_gradients.dimension(0))
+        throw std::invalid_argument("Atom gradient dimension doesn't equal number of coordinates");
+    if (n != type_gradients.dimension(0))
+        throw std::invalid_argument("Type gradient dimension doesn't equal number of coordinates");
+    if (type_gradients.dimension(1) != ntypes)
+        throw std::invalid_argument("Type gradient dimension has wrong number of types");
+    if (coords.dimension(1) != 3)
+        throw std::invalid_argument("Need x,y,z for coord");
+
+    if (radii_type_indexed) {
+        if (ntypes != radii.size())
+            throw std::invalid_argument("Radii dimension doesn't equal number of types");
+    } else {
+        if (n != radii.size())
+            throw std::invalid_argument("Radii dimension doesn't equal number of coordinates");
+    }
+
+    if (n == 0) return;
+    float3 grid_origin = get_grid_origin(grid_center);
+
+    MetalContext::instance().backward_vec(
+        makeParams(*this), grid_origin,
+        coords.data(), type_vector.data(), ntypes, radii.data(),
+        reinterpret_cast<const float*>(grid.data()),
+        reinterpret_cast<float*>(atom_gradients.data()),
+        reinterpret_cast<float*>(type_gradients.data()),
+        n, dim, radii_type_indexed);
+}
+
+template void GridMaker::backward(float3, const Grid<float,2,true>&,
+    const Grid<float,2,true>&, const Grid<float,1,true>&,
+    const Grid<float,4,true>&, Grid<float,2,true>&, Grid<float,2,true>&) const;
+
+// ===========================================================================
+// backward_gradients
+// ===========================================================================
+
+template <typename Dtype>
+void GridMaker::backward_gradients(float3 grid_center,
+                                    const Grid<float, 2, true>& coords,
+                                    const Grid<float, 2, true>& type_vector,
+                                    const Grid<float, 1, true>& radii,
+                                    const Grid<Dtype, 4, true>& diff,
+                                    const Grid<Dtype, 2, true>& atom_gradients,
+                                    const Grid<Dtype, 2, true>& type_gradients,
+                                    Grid<Dtype, 4, true>& diffdiff,
+                                    Grid<Dtype, 2, true>& atom_diffdiff,
+                                    Grid<Dtype, 2, true>& type_diffdiff)
+{
+    unsigned n      = coords.dimension(0);
+    unsigned ntypes = type_vector.dimension(1);
+    check_vector_args(coords, type_vector, radii, diff);
+
+    if (binary) throw std::invalid_argument("Binary densities not supported");
+
+    atom_diffdiff.fill_zero();
+    type_diffdiff.fill_zero();
+    diffdiff.fill_zero();
+
+    if (n == 0) return;
+    float3 grid_origin = get_grid_origin(grid_center);
+
+    MetalContext::instance().backward_gradients(
+        makeParams(*this), grid_origin,
+        coords.data(), type_vector.data(), ntypes, radii.data(),
+        reinterpret_cast<const float*>(diff.data()),
+        reinterpret_cast<const float*>(atom_gradients.data()),
+        reinterpret_cast<const float*>(type_gradients.data()),
+        reinterpret_cast<float*>(diffdiff.data()),
+        reinterpret_cast<float*>(atom_diffdiff.data()),
+        reinterpret_cast<float*>(type_diffdiff.data()),
+        n, dim, radii_type_indexed);
+}
+
+template void GridMaker::backward_gradients(float3,
+    const Grid<float,2,true>&, const Grid<float,2,true>&,
+    const Grid<float,1,true>&, const Grid<float,4,true>&,
+    const Grid<float,2,true>&, const Grid<float,2,true>&,
+    Grid<float,4,true>&, Grid<float,2,true>&, Grid<float,2,true>&);
+
+// ===========================================================================
+// backward_relevance
+// ===========================================================================
+
+template <typename Dtype>
+void GridMaker::backward_relevance(float3 grid_center,
+                                    const Grid<float, 2, true>& coords,
+                                    const Grid<float, 1, true>& type_index,
+                                    const Grid<float, 1, true>& radii,
+                                    const Grid<Dtype, 4, true>& density,
+                                    const Grid<Dtype, 4, true>& diff,
+                                    Grid<Dtype, 1, true>& relevance) const
+{
+    relevance.fill_zero();
+    unsigned n = coords.dimension(0);
+    if (n != type_index.size())
+        throw std::invalid_argument("Type dimension doesn't equal number of coordinates.");
+    if (n != relevance.size())
+        throw std::invalid_argument("Relevance dimension doesn't equal number of coordinates");
+    if (n != radii.size())
+        throw std::invalid_argument("Radii dimension doesn't equal number of coordinates");
+    if (n == 0) return;
+
+    float3 grid_origin = get_grid_origin(grid_center);
+
+    MetalContext::instance().backward_relevance(
+        makeParams(*this), grid_origin,
+        coords.data(), type_index.data(), radii.data(),
+        reinterpret_cast<const float*>(density.data()),
+        reinterpret_cast<const float*>(diff.data()),
+        reinterpret_cast<float*>(relevance.data()),
+        n, density.dimension(0), dim);
+}
+
+template void GridMaker::backward_relevance(float3,
+    const Grid<float,2,true>&, const Grid<float,1,true>&,
+    const Grid<float,1,true>&, const Grid<float,4,true>&,
+    const Grid<float,4,true>&, Grid<float,1,true>&) const;
+
+} // namespace libmolgrid
diff --git a/src/metal/shaders.metal b/src/metal/shaders.metal
new file mode 100644
index 00000000..434efe46
--- /dev/null
+++ b/src/metal/shaders.metal
@@ -0,0 +1,1174 @@
+/*
+ * shaders.metal
+ *
+ * Metal Shading Language compute kernels for libmolgrid.
+ * Translates all CUDA kernels from the original .cu files.
+ *
+ * Naming conventions:
+ *   buffer slot 0  →  constant args struct
+ *   buffer slot 1+ →  data buffers (same order as the C++ dispatch wrappers)
+ */
+
+#include <metal_stdlib>
+#include <metal_atomic>
+using namespace metal;
+
+// ============================================================================
+// Constants (must match common.h)
+// ============================================================================
+
+constant uint LMG_BLOCKDIM    = 8;
+
+// ============================================================================
+// POD argument structs  (must match metal_context.h / metal_context.mm)
+// ============================================================================
+
+struct GridMakerParams {
+    float resolution;
+    float dimension;
+    float radius_scale;
+    float gaussian_radius_multiple;
+    float final_radius_multiple;
+    float A, B, C;
+    float D, E;
+    uint  dim;
+    int   binary;
+    int   radii_type_indexed;
+};
+
+struct TransformArgs {
+    uint  n;
+    float qa, qb, qc, qd;
+    float cx, cy, cz;
+    float tx, ty, tz;
+};
+
+struct SumTypesArgs {
+    uint natoms;
+    uint ntypes;
+};
+
+struct ForwardArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+};
+
+struct FwdVecArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+    float maxradius;
+    int   radii_type_indexed;
+};
+
+struct BwdArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+};
+
+struct BwdVecArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+    int   radii_type_indexed;
+};
+
+struct GGArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+    int   radii_type_indexed;
+};
+
+struct RelArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;
+    uint  natoms;
+    uint  ntypes;
+    uint  dim;
+};
+
+struct InterpArgs {
+    float in_ox, in_oy, in_oz, in_res;
+    uint  in_dim;
+    float out_ox, out_oy, out_oz, out_res;
+    uint  out_dim;
+    float qa, qb, qc, qd;
+    float utx, uty, utz;
+    float cx, cy, cz;
+};
+
+// ============================================================================
+// Quaternion helpers
+// ============================================================================
+
+static float3 quat_rotate(float qa, float qb, float qc, float qd,
+                           float x, float y, float z)
+{
+    // p' = q * p * q_conj / norm(q)
+    float nsq = qa*qa + qb*qb + qc*qc + qd*qd;
+    // quaternion multiply: q * (0,x,y,z)
+    float ra = -(qb*x + qc*y + qd*z);
+    float rb =  qa*x + qc*z - qd*y;
+    float rc =  qa*y - qb*z + qd*x;
+    float rd =  qa*z + qb*y - qc*x;
+    // multiply result by conj(q)/nsq = (qa,-qb,-qc,-qd)/nsq
+    float3 out;
+    out.x = (-ra*qb + rb*qa - rc*qd + rd*qc) / nsq;
+    out.y = (-ra*qc + rb*qd + rc*qa - rd*qb) / nsq;
+    out.z = (-ra*qd - rb*qc + rc*qb + rd*qa) / nsq;
+    return out;
+}
+
+// ============================================================================
+// Density helpers (mirror GridMaker::calc_point)
+// ============================================================================
+
+static float calc_point_gaussian(float ax, float ay, float az, float ar,
+                                  float3 grid_coords,
+                                  float radius_scale,
+                                  float gaussian_radius_multiple,
+                                  float final_radius_multiple,
+                                  float A, float B, float C)
+{
+    ar *= radius_scale;
+    float dx = grid_coords.x - ax;
+    float dy = grid_coords.y - ay;
+    float dz = grid_coords.z - az;
+    float rsq = dx*dx + dy*dy + dz*dz;
+    float dist = sqrt(rsq);
+    if (dist > ar * final_radius_multiple) return 0.0f;
+    if (dist <= ar * gaussian_radius_multiple) {
+        float ex = -2.0f * rsq / (ar*ar);
+        return exp(ex);
+    }
+    float dr = dist / ar;
+    float q  = (A*dr + B)*dr + C;
+    return q > 0.0f ? q : 0.0f;
+}
+
+static float calc_point_binary(float ax, float ay, float az, float ar,
+                                float3 grid_coords, float radius_scale)
+{
+    ar *= radius_scale;
+    float dx = grid_coords.x - ax;
+    float dy = grid_coords.y - ay;
+    float dz = grid_coords.z - az;
+    float rsq = dx*dx + dy*dy + dz*dz;
+    return (rsq < ar*ar) ? 1.0f : 0.0f;
+}
+
+static uint2 get_bounds_1d(float grid_origin, float coord,
+                            float densityrad, float resolution, uint dim)
+{
+    uint2 bounds = {0u, 0u};
+    float low = coord - densityrad - grid_origin;
+    if (low > 0) bounds.x = uint(floor(low / resolution));
+    float high = coord + densityrad - grid_origin;
+    if (high > 0) bounds.y = min(dim, uint(ceil(high / resolution)));
+    return bounds;
+}
+
+// CAS-based float atomic add (compatible with all Apple GPU families)
+static void atomic_add_float(device atomic_uint* addr, float val)
+{
+    uint old = atomic_load_explicit(addr, memory_order_relaxed);
+    uint assumed;
+    do {
+        assumed = old;
+        float updated = as_type<float>(old) + val;
+        // Pass &old so Metal updates it with the current value on CAS failure.
+        // The loop exits when old == assumed (CAS succeeded).
+        atomic_compare_exchange_weak_explicit(addr, &old,
+              as_type<uint>(updated),
+              memory_order_relaxed, memory_order_relaxed);
+    } while (old != assumed);
+}
+
+// Check if atom aidx could overlap the current 8×8×8 block (fast AABB cull)
+static bool atom_overlaps_block(uint aidx,
+                                 float3 grid_origin, float resolution,
+                                 const device float* coords,
+                                 float radius, float rmult,
+                                 uint3 block_id)
+{
+    float startx = block_id.x * 8 * resolution + grid_origin.x;
+    float starty = block_id.y * 8 * resolution + grid_origin.y;
+    float startz = block_id.z * 8 * resolution + grid_origin.z;
+    float endx = startx + resolution * 8;
+    float endy = starty + resolution * 8;
+    float endz = startz + resolution * 8;
+
+    float cx_ = coords[aidx*3+0];
+    float cy_ = coords[aidx*3+1];
+    float cz_ = coords[aidx*3+2];
+    float r   = radius * rmult;
+
+    return !((cx_-r > endx) || (cx_+r < startx)
+           ||(cy_-r > endy) || (cy_+r < starty)
+           ||(cz_-r > endz) || (cz_+r < startz));
+}
+
+// ============================================================================
+// TRANSFORM KERNELS
+// ============================================================================
+
+kernel void transform_forward_translate(
+    constant TransformArgs& args [[buffer(0)]],
+    const device float* in       [[buffer(1)]],
+    device       float* out      [[buffer(2)]],
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.n) return;
+    float x = in[tid*3+0], y = in[tid*3+1], z = in[tid*3+2];
+    float3 rot = quat_rotate(args.qa, args.qb, args.qc, args.qd,
+                              x - args.cx, y - args.cy, z - args.cz);
+    out[tid*3+0] = rot.x + args.cx + args.tx;
+    out[tid*3+1] = rot.y + args.cy + args.ty;
+    out[tid*3+2] = rot.z + args.cz + args.tz;
+}
+
+kernel void transform_forward_rotate(
+    constant TransformArgs& args [[buffer(0)]],
+    const device float* in       [[buffer(1)]],
+    device       float* out      [[buffer(2)]],
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.n) return;
+    float x = in[tid*3+0], y = in[tid*3+1], z = in[tid*3+2];
+    float3 rot = quat_rotate(args.qa, args.qb, args.qc, args.qd,
+                              x - args.cx, y - args.cy, z - args.cz);
+    out[tid*3+0] = rot.x + args.cx;
+    out[tid*3+1] = rot.y + args.cy;
+    out[tid*3+2] = rot.z + args.cz;
+}
+
+kernel void transform_translate_only(
+    constant TransformArgs& args [[buffer(0)]],
+    const device float* in       [[buffer(1)]],
+    device       float* out      [[buffer(2)]],
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.n) return;
+    out[tid*3+0] = in[tid*3+0] + args.tx;
+    out[tid*3+1] = in[tid*3+1] + args.ty;
+    out[tid*3+2] = in[tid*3+2] + args.tz;
+}
+
+kernel void transform_rotate_only(
+    constant TransformArgs& args [[buffer(0)]],
+    const device float* in       [[buffer(1)]],
+    device       float* out      [[buffer(2)]],
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.n) return;
+    float x = in[tid*3+0], y = in[tid*3+1], z = in[tid*3+2];
+    float3 rot = quat_rotate(args.qa, args.qb, args.qc, args.qd,
+                              x - args.cx, y - args.cy, z - args.cz);
+    out[tid*3+0] = rot.x + args.cx;
+    out[tid*3+1] = rot.y + args.cy;
+    out[tid*3+2] = rot.z + args.cz;
+}
+
+// ============================================================================
+// COORDINATE SET KERNELS
+// ============================================================================
+
+kernel void sum_vector_types(
+    constant SumTypesArgs& args  [[buffer(0)]],
+    const device float*    types [[buffer(1)]],  // [natoms][ntypes]
+    device       float*    sum   [[buffer(2)]],  // [ntypes]
+    uint t [[thread_position_in_grid]])
+{
+    if (t >= args.ntypes) return;
+    float tsum = 0.0f;
+    for (uint i = 0; i < args.natoms; i++)
+        tsum += types[i * args.ntypes + t];
+    sum[t] = tsum;
+}
+
+kernel void sum_index_types(
+    constant SumTypesArgs& args       [[buffer(0)]],
+    const device float*    type_index [[buffer(1)]],  // [natoms]
+    device       float*    sum        [[buffer(2)]],  // [ntypes]
+    uint t [[thread_position_in_grid]])
+{
+    if (t >= args.ntypes) return;
+    float tsum = 0.0f;
+    for (uint i = 0; i < args.natoms; i++) {
+        if (uint(type_index[i]) == t)
+            tsum += 1.0f;
+    }
+    sum[t] = tsum;
+}
+
+// ============================================================================
+// GRID MAKER FORWARD  –  Index types
+// ============================================================================
+// Shared threadgroup arrays declared inside the kernel function.
+// Threadgroup size is fixed at 8×8×8 = 512.
+
+// ============================================================================
+// GRID MAKER FORWARD  –  Index types
+// Each thread owns one voxel and independently loops over all atoms.
+// No shared-memory prefix scan needed.
+// ============================================================================
+
+kernel void forward_index_binary(
+    constant ForwardArgs&  args       [[buffer(0)]],
+    const device float*    coords     [[buffer(1)]],  // [natoms][3]
+    const device float*    type_index [[buffer(2)]],  // [natoms]
+    const device float*    radii      [[buffer(3)]],  // [natoms]
+    device       float*    out        [[buffer(4)]],  // [ntypes][dim][dim][dim]
+    uint3 tid   [[thread_position_in_threadgroup]],
+    uint3 bid   [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        int atype = int(type_index[i]);
+        if (atype < 0) continue;
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  radii[i], args.gm.final_radius_multiple, bid)) continue;
+        float val = calc_point_binary(coords[i*3+0], coords[i*3+1], coords[i*3+2],
+                                      radii[i], gc, args.gm.radius_scale);
+        if (val != 0.0f)
+            out[uint(atype) * chmult + goffset] = 1.0f;
+    }
+}
+
+kernel void forward_index_gaussian(
+    constant ForwardArgs&  args       [[buffer(0)]],
+    const device float*    coords     [[buffer(1)]],
+    const device float*    type_index [[buffer(2)]],
+    const device float*    radii      [[buffer(3)]],
+    device       float*    out        [[buffer(4)]],
+    uint3 tid   [[thread_position_in_threadgroup]],
+    uint3 bid   [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        int atype = int(type_index[i]);
+        if (atype < 0) continue;
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  radii[i], args.gm.final_radius_multiple, bid)) continue;
+        float val = calc_point_gaussian(coords[i*3+0], coords[i*3+1], coords[i*3+2],
+                                        radii[i], gc,
+                                        args.gm.radius_scale,
+                                        args.gm.gaussian_radius_multiple,
+                                        args.gm.final_radius_multiple,
+                                        args.gm.A, args.gm.B, args.gm.C);
+        if (val > 0.0f)
+            out[uint(atype) * chmult + goffset] += val;
+    }
+}
+
+
+// ============================================================================
+// GRID MAKER FORWARD  –  Vector types (4 variants: binary/gaussian × rti/non-rti)
+// Each thread owns one voxel and independently loops over all atoms.
+// ============================================================================
+
+kernel void forward_vec_binary(
+    constant FwdVecArgs&  args       [[buffer(0)]],
+    const device float*   coords     [[buffer(1)]],
+    const device float*   type_vec   [[buffer(2)]],
+    const device float*   radii      [[buffer(3)]],
+    device       float*   out        [[buffer(4)]],
+    uint3 tid [[thread_position_in_threadgroup]],
+    uint3 bid [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  radii[i], args.gm.final_radius_multiple, bid)) continue;
+        float ax = coords[i*3+0], ay = coords[i*3+1], az = coords[i*3+2];
+        float ar = radii[i];
+        float val = calc_point_binary(ax, ay, az, ar, gc, args.gm.radius_scale);
+        if (val == 0.0f) continue;
+        const device float* atom_types = type_vec + args.ntypes * i;
+        for (uint atype = 0; atype < args.ntypes; atype++) {
+            float tmult = atom_types[atype];
+            if (tmult != 0.0f)
+                out[atype * chmult + goffset] += tmult;
+        }
+    }
+}
+
+kernel void forward_vec_gaussian(
+    constant FwdVecArgs&  args       [[buffer(0)]],
+    const device float*   coords     [[buffer(1)]],
+    const device float*   type_vec   [[buffer(2)]],
+    const device float*   radii      [[buffer(3)]],
+    device       float*   out        [[buffer(4)]],
+    uint3 tid [[thread_position_in_threadgroup]],
+    uint3 bid [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  radii[i], args.gm.final_radius_multiple, bid)) continue;
+        float ax = coords[i*3+0], ay = coords[i*3+1], az = coords[i*3+2];
+        float ar = radii[i];
+        float val = calc_point_gaussian(ax, ay, az, ar, gc,
+                                        args.gm.radius_scale,
+                                        args.gm.gaussian_radius_multiple,
+                                        args.gm.final_radius_multiple,
+                                        args.gm.A, args.gm.B, args.gm.C);
+        if (val == 0.0f) continue;
+        const device float* atom_types = type_vec + args.ntypes * i;
+        for (uint atype = 0; atype < args.ntypes; atype++) {
+            float tmult = atom_types[atype];
+            if (tmult != 0.0f)
+                out[atype * chmult + goffset] += val * tmult;
+        }
+    }
+}
+
+kernel void forward_vec_binary_rti(
+    constant FwdVecArgs&  args       [[buffer(0)]],
+    const device float*   coords     [[buffer(1)]],
+    const device float*   type_vec   [[buffer(2)]],
+    const device float*   radii      [[buffer(3)]],  // [ntypes] when rti
+    device       float*   out        [[buffer(4)]],
+    uint3 tid [[thread_position_in_threadgroup]],
+    uint3 bid [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  args.maxradius, args.gm.final_radius_multiple, bid)) continue;
+        float ax = coords[i*3+0], ay = coords[i*3+1], az = coords[i*3+2];
+        const device float* atom_types = type_vec + args.ntypes * i;
+        for (uint atype = 0; atype < args.ntypes; atype++) {
+            float tmult = atom_types[atype];
+            if (tmult == 0.0f) continue;
+            float ar = radii[atype];  // radius-type-indexed
+            float val = calc_point_binary(ax, ay, az, ar, gc, args.gm.radius_scale);
+            if (val != 0.0f)
+                out[atype * chmult + goffset] += tmult;
+        }
+    }
+}
+
+kernel void forward_vec_gaussian_rti(
+    constant FwdVecArgs&  args       [[buffer(0)]],
+    const device float*   coords     [[buffer(1)]],
+    const device float*   type_vec   [[buffer(2)]],
+    const device float*   radii      [[buffer(3)]],  // [ntypes] when rti
+    device       float*   out        [[buffer(4)]],
+    uint3 tid [[thread_position_in_threadgroup]],
+    uint3 bid [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x * 8;
+    uint yi = tid.y + bid.y * 8;
+    uint zi = tid.z + bid.z * 8;
+    uint dim = args.dim;
+    if (xi >= dim || yi >= dim || zi >= dim) return;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    float3 gc = {xi * args.gm.resolution + go.x,
+                 yi * args.gm.resolution + go.y,
+                 zi * args.gm.resolution + go.z};
+    uint goffset = ((xi * dim) + yi) * dim + zi;
+    uint chmult  = dim * dim * dim;
+
+    for (uint i = 0; i < args.natoms; i++) {
+        if (!atom_overlaps_block(i, go, args.gm.resolution, coords,
+                                  args.maxradius, args.gm.final_radius_multiple, bid)) continue;
+        float ax = coords[i*3+0], ay = coords[i*3+1], az = coords[i*3+2];
+        const device float* atom_types = type_vec + args.ntypes * i;
+        for (uint atype = 0; atype < args.ntypes; atype++) {
+            float tmult = atom_types[atype];
+            if (tmult == 0.0f) continue;
+            float ar = radii[atype];  // radius-type-indexed
+            float val = calc_point_gaussian(ax, ay, az, ar, gc,
+                                            args.gm.radius_scale,
+                                            args.gm.gaussian_radius_multiple,
+                                            args.gm.final_radius_multiple,
+                                            args.gm.A, args.gm.B, args.gm.C);
+            if (val != 0.0f)
+                out[atype * chmult + goffset] += val * tmult;
+        }
+    }
+}
+
+// ============================================================================
+// GRID MAKER BACKWARD  –  Index types
+// ============================================================================
+
+kernel void set_atom_gradients(
+    constant BwdArgs&    args          [[buffer(0)]],
+    const device float*  coords        [[buffer(1)]],
+    const device float*  type_index    [[buffer(2)]],
+    const device float*  radii         [[buffer(3)]],
+    const device float*  grid          [[buffer(4)]],  // [ntypes][dim][dim][dim]
+    device       float*  atom_grads    [[buffer(5)]],  // [natoms][3]
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.natoms) return;
+    int whichgrid = int(round(type_index[tid]));
+    if (whichgrid < 0) return;
+
+    float ax = coords[tid*3+0], ay = coords[tid*3+1], az = coords[tid*3+2];
+    float radius = radii[tid];
+    float ar = radius * args.gm.radius_scale;
+    float densityr = ar * args.gm.final_radius_multiple;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    const device float* diff = grid + (uint)whichgrid * dim*dim*dim;
+
+    float3 agrad = {0,0,0};
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+
+                float dx = x-ax, dy = y-ay, dz = z-az;
+                float dist2 = dx*dx+dy*dy+dz*dz;
+                float dist  = sqrt(dist2);
+                if (dist <= 0.0f) continue;
+
+                float agrad_dist = 0.0f;
+                if (dist > ar * args.gm.final_radius_multiple) {
+                    continue; // no overlap
+                } else if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                    float ex = -2.0f*dist2/(ar*ar);
+                    agrad_dist = (-4.0f*dist/(ar*ar)) * exp(ex);
+                } else {
+                    agrad_dist = (args.gm.D*dist/ar + args.gm.E)/ar;
+                }
+
+                if (!isfinite(agrad_dist)) continue;
+                float gridval = diff[(i*dim + j)*dim + k];
+                agrad.x += -(dx/dist) * (agrad_dist * gridval);
+                agrad.y += -(dy/dist) * (agrad_dist * gridval);
+                agrad.z += -(dz/dist) * (agrad_dist * gridval);
+            }
+        }
+    }
+    atom_grads[tid*3+0] = agrad.x;
+    atom_grads[tid*3+1] = agrad.y;
+    atom_grads[tid*3+2] = agrad.z;
+}
+
+// ============================================================================
+// GRID MAKER BACKWARD  –  Vector types  (2 variants: rti / non-rti)
+// ============================================================================
+
+kernel void set_atom_type_gradients(
+    constant BwdVecArgs&  args         [[buffer(0)]],
+    const device float*   coords       [[buffer(1)]],
+    const device float*   type_vec     [[buffer(2)]],  // [natoms][ntypes]
+    const device float*   radii        [[buffer(3)]],
+    const device float*   grid         [[buffer(4)]],  // [ntypes][dim][dim][dim]
+    device       float*   atom_grads   [[buffer(5)]],  // [natoms][3]
+    device       float*   type_grads   [[buffer(6)]],  // [natoms][ntypes]
+    uint2 gid [[thread_position_in_grid]])
+{
+    uint idx   = gid.x;   // atom index
+    uint whicht= gid.y;   // type index
+    if (idx >= args.natoms || whicht >= args.ntypes) return;
+
+    float ax = coords[idx*3+0], ay = coords[idx*3+1], az = coords[idx*3+2];
+    float radius = radii[idx]; // non-rti: per-atom
+    float ar = radius * args.gm.radius_scale;
+    float densityr = ar * args.gm.final_radius_multiple;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    const device float* diff = grid + whicht*dim*dim*dim;
+
+    float3 agrad = {0,0,0};
+    float tgrad  = 0.0f;
+
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+                float3 gc = {x,y,z};
+                float dx = x-ax, dy = y-ay, dz = z-az;
+                float dist2 = dx*dx+dy*dy+dz*dz;
+                float dist  = sqrt(dist2);
+
+                float agrad_dist = 0.0f;
+                bool finite_ag = false;
+                if (dist > 0.0f && dist <= ar * args.gm.final_radius_multiple) {
+                    if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                        float ex = -2.0f*dist2/(ar*ar);
+                        agrad_dist = (-4.0f*dist/(ar*ar))*exp(ex);
+                    } else {
+                        agrad_dist = (args.gm.D*dist/ar + args.gm.E)/ar;
+                    }
+                    finite_ag = isfinite(agrad_dist);
+                }
+
+                float val;
+                if (args.gm.binary)
+                    val = calc_point_binary(ax,ay,az,radius,gc,args.gm.radius_scale);
+                else
+                    val = calc_point_gaussian(ax,ay,az,radius,gc,
+                                              args.gm.radius_scale,
+                                              args.gm.gaussian_radius_multiple,
+                                              args.gm.final_radius_multiple,
+                                              args.gm.A,args.gm.B,args.gm.C);
+
+                float gv = diff[(i*dim+j)*dim+k];
+                tgrad += val * gv;
+
+                if (finite_ag && dist > 0.0f) {
+                    agrad.x += -(dx/dist)*(agrad_dist*gv);
+                    agrad.y += -(dy/dist)*(agrad_dist*gv);
+                    agrad.z += -(dz/dist)*(agrad_dist*gv);
+                }
+            }
+        }
+    }
+
+    float tmult = type_vec[idx*args.ntypes + whicht];
+    agrad.x *= tmult; agrad.y *= tmult; agrad.z *= tmult;
+
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+0), agrad.x);
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+1), agrad.y);
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+2), agrad.z);
+    type_grads[idx*args.ntypes + whicht] = tgrad;
+}
+
+kernel void set_atom_type_gradients_rti(
+    constant BwdVecArgs&  args         [[buffer(0)]],
+    const device float*   coords       [[buffer(1)]],
+    const device float*   type_vec     [[buffer(2)]],
+    const device float*   radii        [[buffer(3)]],  // [ntypes] for rti
+    const device float*   grid         [[buffer(4)]],
+    device       float*   atom_grads   [[buffer(5)]],
+    device       float*   type_grads   [[buffer(6)]],
+    uint2 gid [[thread_position_in_grid]])
+{
+    uint idx   = gid.x;
+    uint whicht= gid.y;
+    if (idx >= args.natoms || whicht >= args.ntypes) return;
+
+    float ax = coords[idx*3+0], ay = coords[idx*3+1], az = coords[idx*3+2];
+    float radius = radii[whicht]; // rti: per-type radius
+    float ar = radius * args.gm.radius_scale;
+    float densityr = ar * args.gm.final_radius_multiple;
+
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    const device float* diff = grid + whicht*dim*dim*dim;
+
+    float3 agrad = {0,0,0};
+    float tgrad  = 0.0f;
+
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+                float3 gc = {x,y,z};
+                float dx = x-ax, dy = y-ay, dz = z-az;
+                float dist2 = dx*dx+dy*dy+dz*dz;
+                float dist  = sqrt(dist2);
+
+                float agrad_dist = 0.0f;
+                bool finite_ag = false;
+                if (dist > 0.0f && dist <= ar * args.gm.final_radius_multiple) {
+                    if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                        float ex = -2.0f*dist2/(ar*ar);
+                        agrad_dist = (-4.0f*dist/(ar*ar))*exp(ex);
+                    } else {
+                        agrad_dist = (args.gm.D*dist/ar + args.gm.E)/ar;
+                    }
+                    finite_ag = isfinite(agrad_dist);
+                }
+
+                float val;
+                if (args.gm.binary)
+                    val = calc_point_binary(ax,ay,az,radius,gc,args.gm.radius_scale);
+                else
+                    val = calc_point_gaussian(ax,ay,az,radius,gc,
+                                              args.gm.radius_scale,
+                                              args.gm.gaussian_radius_multiple,
+                                              args.gm.final_radius_multiple,
+                                              args.gm.A,args.gm.B,args.gm.C);
+                float gv = diff[(i*dim+j)*dim+k];
+                tgrad += val * gv;
+
+                if (finite_ag && dist > 0.0f) {
+                    agrad.x += -(dx/dist)*(agrad_dist*gv);
+                    agrad.y += -(dy/dist)*(agrad_dist*gv);
+                    agrad.z += -(dz/dist)*(agrad_dist*gv);
+                }
+            }
+        }
+    }
+
+    float tmult = type_vec[idx*args.ntypes + whicht];
+    agrad.x *= tmult; agrad.y *= tmult; agrad.z *= tmult;
+
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+0), agrad.x);
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+1), agrad.y);
+    atomic_add_float((device atomic_uint*)(atom_grads + idx*3+2), agrad.z);
+    type_grads[idx*args.ntypes + whicht] = tgrad;
+}
+
+// ============================================================================
+// GRID MAKER BACKWARD_GRADIENTS (grad-of-grad)
+// ============================================================================
+
+kernel void set_atom_type_grad_grad(
+    constant GGArgs&      args         [[buffer(0)]],
+    const device float*   coords       [[buffer(1)]],
+    const device float*   type_vec     [[buffer(2)]],
+    const device float*   radii        [[buffer(3)]],
+    const device float*   diff         [[buffer(4)]],
+    const device float*   atom_grads   [[buffer(5)]],
+    const device float*   type_grads   [[buffer(6)]],
+    device       float*   diffdiff     [[buffer(7)]],
+    device       float*   atom_diffdiff[[buffer(8)]],
+    device       float*   type_diffdiff[[buffer(9)]],
+    uint2 gid [[thread_position_in_grid]])
+{
+    uint aidx  = gid.x;
+    uint tidx  = gid.y;
+    if (aidx >= args.natoms || tidx >= args.ntypes) return;
+
+    float tmult = type_vec[aidx*args.ntypes + tidx];
+    if (tmult == 0.0f) return;
+
+    float radius = args.radii_type_indexed ? radii[tidx] : radii[aidx];
+    float ar = radius * args.gm.radius_scale;
+
+    float ax = coords[aidx*3+0], ay = coords[aidx*3+1], az = coords[aidx*3+2];
+    float3 agrad = { atom_grads[aidx*3+0], atom_grads[aidx*3+1], atom_grads[aidx*3+2] };
+    float tgrad  = type_grads[aidx*args.ntypes + tidx];
+
+    float densityr = ar * args.gm.final_radius_multiple;
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    const device float* diffG = diff + tidx*dim*dim*dim;
+    float3 adiffdiff = {0,0,0};
+
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+                float dx = x-ax, dy = y-ay, dz = z-az;
+                float dist2 = dx*dx+dy*dy+dz*dz;
+                float dist  = sqrt(dist2);
+
+                float Gp = diffG[(i*dim+j)*dim+k];
+                uint  offset = ((tidx*dim+i)*dim+j)*dim+k;
+
+                float agrad_dist = 0.0f;
+                if (dist > ar * args.gm.final_radius_multiple) continue;
+                if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                    float ex = -2.0f*dist2/(ar*ar);
+                    agrad_dist = (-4.0f*dist/(ar*ar))*exp(ex);
+                } else {
+                    agrad_dist = (args.gm.D*dist/ar + args.gm.E)/ar;
+                }
+                if (!isfinite(agrad_dist)) continue;
+
+                float3 gc = {x,y,z};
+                float val = calc_point_gaussian(ax,ay,az,radius,gc,
+                                                args.gm.radius_scale,
+                                                args.gm.gaussian_radius_multiple,
+                                                args.gm.final_radius_multiple,
+                                                args.gm.A,args.gm.B,args.gm.C);
+
+                float gval = 0.0f;
+                if (dist > 0.0f) {
+                    gval += -(dx/dist)*(agrad_dist*agrad.x);
+                    gval += -(dy/dist)*(agrad_dist*agrad.y);
+                    gval += -(dz/dist)*(agrad_dist*agrad.z);
+                    gval *= tmult;
+                }
+                gval += val * tgrad;
+                atomic_add_float((device atomic_uint*)(diffdiff + offset), gval);
+
+                // Accumulate full second-order gradient w.r.t. atom positions.
+                // Uses the 3×3 Hessian of density w.r.t. atom coords:
+                //   d²f/dxa² (diagonal ggd_xx), d²f/dxadxb (cross ggd_xy etc.)
+                // Matches CPU: atom_density_grad_grad / type_grad_grad helpers.
+                if (dist > 0.0f) {
+                    float r2 = ar*ar, d2 = dist2;
+                    float ex2 = -2.0f*d2/r2;
+                    float ggd_xx, ggd_yy, ggd_zz, ggd_xy, ggd_xz, ggd_yz;
+                    if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                        float e = exp(ex2);
+                        float c = 16.0f*e/(r2*r2);
+                        float dc = -4.0f*e/r2;
+                        ggd_xx = c*dx*dx + dc;
+                        ggd_yy = c*dy*dy + dc;
+                        ggd_zz = c*dz*dz + dc;
+                        ggd_xy = c*dx*dy;
+                        ggd_xz = c*dx*dz;
+                        ggd_yz = c*dy*dz;
+                    } else {
+                        float p = -(args.gm.E + args.gm.D*dist/ar) / (pow(d2, 1.5f) * ar);
+                        float q = args.gm.D / (d2 * ar * ar);
+                        float s = (args.gm.E + args.gm.D*dist/ar) / (dist * ar);
+                        float pq = p + q;
+                        ggd_xx = pq*dx*dx + s;
+                        ggd_yy = pq*dy*dy + s;
+                        ggd_zz = pq*dz*dz + s;
+                        ggd_xy = pq*dx*dy;
+                        ggd_xz = pq*dx*dz;
+                        ggd_yz = pq*dy*dz;
+                    }
+                    float GptG = Gp * tmult;
+                    adiffdiff.x += (ggd_xx*agrad.x + ggd_xy*agrad.y + ggd_xz*agrad.z)*GptG
+                                 + ggd_xx*Gp*tgrad;
+                    adiffdiff.y += (ggd_xy*agrad.x + ggd_yy*agrad.y + ggd_yz*agrad.z)*GptG
+                                 + ggd_yy*Gp*tgrad;
+                    adiffdiff.z += (ggd_xz*agrad.x + ggd_yz*agrad.y + ggd_zz*agrad.z)*GptG
+                                 + ggd_zz*Gp*tgrad;
+                }
+            }
+        }
+    }
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+0), adiffdiff.x);
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+1), adiffdiff.y);
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+2), adiffdiff.z);
+}
+
+kernel void set_atom_type_grad_grad_rti(
+    constant GGArgs&      args         [[buffer(0)]],
+    const device float*   coords       [[buffer(1)]],
+    const device float*   type_vec     [[buffer(2)]],
+    const device float*   radii        [[buffer(3)]],
+    const device float*   diff         [[buffer(4)]],
+    const device float*   atom_grads   [[buffer(5)]],
+    const device float*   type_grads   [[buffer(6)]],
+    device       float*   diffdiff     [[buffer(7)]],
+    device       float*   atom_diffdiff[[buffer(8)]],
+    device       float*   type_diffdiff[[buffer(9)]],
+    uint2 gid [[thread_position_in_grid]])
+{
+    // Same as above but radius = radii[tidx]
+    uint aidx  = gid.x;
+    uint tidx  = gid.y;
+    if (aidx >= args.natoms || tidx >= args.ntypes) return;
+
+    float tmult = type_vec[aidx*args.ntypes + tidx];
+    if (tmult == 0.0f) return;
+
+    float radius = radii[tidx]; // rti
+    float ar = radius * args.gm.radius_scale;
+
+    float ax = coords[aidx*3+0], ay = coords[aidx*3+1], az = coords[aidx*3+2];
+    float3 agrad = { atom_grads[aidx*3+0], atom_grads[aidx*3+1], atom_grads[aidx*3+2] };
+    float tgrad  = type_grads[aidx*args.ntypes + tidx];
+
+    float densityr = ar * args.gm.final_radius_multiple;
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    const device float* diffG = diff + tidx*dim*dim*dim;
+    float3 adiffdiff = {0,0,0};
+
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+                float dx = x-ax, dy = y-ay, dz = z-az;
+                float dist2 = dx*dx+dy*dy+dz*dz;
+                float dist  = sqrt(dist2);
+                if (dist <= 0.0f || dist > ar*args.gm.final_radius_multiple) continue;
+
+                float Gp = diffG[(i*dim+j)*dim+k];
+                uint  offset = ((tidx*dim+i)*dim+j)*dim+k;
+
+                float3 gc = {x,y,z};
+                float val = calc_point_gaussian(ax,ay,az,radius,gc,
+                                                args.gm.radius_scale,
+                                                args.gm.gaussian_radius_multiple,
+                                                args.gm.final_radius_multiple,
+                                                args.gm.A,args.gm.B,args.gm.C);
+                float agrad_dist;
+                if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                    float ex = -2.0f*dist2/(ar*ar);
+                    agrad_dist = (-4.0f*dist/(ar*ar))*exp(ex);
+                } else {
+                    agrad_dist = (args.gm.D*dist/ar + args.gm.E)/ar;
+                }
+                if (!isfinite(agrad_dist)) continue;
+
+                float gval = -(dx/dist)*(agrad_dist*agrad.x)*tmult
+                           + -(dy/dist)*(agrad_dist*agrad.y)*tmult
+                           + -(dz/dist)*(agrad_dist*agrad.z)*tmult
+                           + val*tgrad;
+                atomic_add_float((device atomic_uint*)(diffdiff + offset), gval);
+
+                // Full second-order gradient (same 3×3 Hessian as non-RTI kernel)
+                float r2 = ar*ar, d2 = dist2;
+                float ex2 = -2.0f*d2/r2;
+                float ggd_xx, ggd_yy, ggd_zz, ggd_xy, ggd_xz, ggd_yz;
+                if (dist <= ar * args.gm.gaussian_radius_multiple) {
+                    float e = exp(ex2);
+                    float c = 16.0f*e/(r2*r2);
+                    float dc = -4.0f*e/r2;
+                    ggd_xx = c*dx*dx + dc;
+                    ggd_yy = c*dy*dy + dc;
+                    ggd_zz = c*dz*dz + dc;
+                    ggd_xy = c*dx*dy;
+                    ggd_xz = c*dx*dz;
+                    ggd_yz = c*dy*dz;
+                } else {
+                    float p = -(args.gm.E + args.gm.D*dist/ar) / (pow(d2, 1.5f) * ar);
+                    float q = args.gm.D / (d2 * ar * ar);
+                    float s = (args.gm.E + args.gm.D*dist/ar) / (dist * ar);
+                    float pq = p + q;
+                    ggd_xx = pq*dx*dx + s;
+                    ggd_yy = pq*dy*dy + s;
+                    ggd_zz = pq*dz*dz + s;
+                    ggd_xy = pq*dx*dy;
+                    ggd_xz = pq*dx*dz;
+                    ggd_yz = pq*dy*dz;
+                }
+                float GptG = Gp * tmult;
+                adiffdiff.x += (ggd_xx*agrad.x + ggd_xy*agrad.y + ggd_xz*agrad.z)*GptG
+                             + ggd_xx*Gp*tgrad;
+                adiffdiff.y += (ggd_xy*agrad.x + ggd_yy*agrad.y + ggd_yz*agrad.z)*GptG
+                             + ggd_yy*Gp*tgrad;
+                adiffdiff.z += (ggd_xz*agrad.x + ggd_yz*agrad.y + ggd_zz*agrad.z)*GptG
+                             + ggd_zz*Gp*tgrad;
+            }
+        }
+    }
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+0), adiffdiff.x);
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+1), adiffdiff.y);
+    atomic_add_float((device atomic_uint*)(atom_diffdiff + aidx*3+2), adiffdiff.z);
+}
+
+// ============================================================================
+// GRID MAKER BACKWARD_RELEVANCE
+// ============================================================================
+
+kernel void set_atom_relevance(
+    constant RelArgs&    args       [[buffer(0)]],
+    const device float*  coords     [[buffer(1)]],
+    const device float*  type_index [[buffer(2)]],
+    const device float*  radii      [[buffer(3)]],
+    const device float*  density    [[buffer(4)]],  // [ntypes][dim][dim][dim]
+    const device float*  diff       [[buffer(5)]],
+    device       float*  relevance  [[buffer(6)]],
+    uint tid [[thread_position_in_grid]])
+{
+    if (tid >= args.natoms) return;
+    int whichgrid = int(round(type_index[tid]));
+    if (whichgrid < 0) return;
+
+    float ax = coords[tid*3+0], ay = coords[tid*3+1], az = coords[tid*3+2];
+    float radius = radii[tid];
+
+    float densityr = radius * args.gm.radius_scale * args.gm.final_radius_multiple;
+    float3 go = {args.ox, args.oy, args.oz};
+    uint2 rx = get_bounds_1d(go.x, ax, densityr, args.gm.resolution, args.dim);
+    uint2 ry = get_bounds_1d(go.y, ay, densityr, args.gm.resolution, args.dim);
+    uint2 rz = get_bounds_1d(go.z, az, densityr, args.gm.resolution, args.dim);
+
+    uint dim = args.dim;
+    uint gidx = (uint)whichgrid;
+    const device float* dens_ch = density + gidx*dim*dim*dim;
+    const device float* diff_ch = diff    + gidx*dim*dim*dim;
+
+    float ret = 0.0f;
+    for (uint i = rx.x; i < rx.y; i++) {
+        for (uint j = ry.x; j < ry.y; j++) {
+            for (uint k = rz.x; k < rz.y; k++) {
+                float x = go.x + i*args.gm.resolution;
+                float y = go.y + j*args.gm.resolution;
+                float z = go.z + k*args.gm.resolution;
+                float3 gc = {x,y,z};
+                float val;
+                if (args.gm.binary)
+                    val = calc_point_binary(ax,ay,az,radius,gc,args.gm.radius_scale);
+                else
+                    val = calc_point_gaussian(ax,ay,az,radius,gc,
+                                              args.gm.radius_scale,
+                                              args.gm.gaussian_radius_multiple,
+                                              args.gm.final_radius_multiple,
+                                              args.gm.A,args.gm.B,args.gm.C);
+                if (val > 0.0f) {
+                    float denseval = dens_ch[(i*dim+j)*dim+k];
+                    float gridval  = diff_ch[(i*dim+j)*dim+k];
+                    if (denseval > 0.0f)
+                        ret += gridval * val / denseval;
+                }
+            }
+        }
+    }
+    relevance[tid] = ret;
+}
+
+// ============================================================================
+// GRID INTERPOLATER
+// ============================================================================
+
+kernel void gpu_set_outgrid(
+    constant InterpArgs& args [[buffer(0)]],
+    const device float*  in  [[buffer(1)]],   // [in_dim][in_dim][in_dim]
+    device       float*  out [[buffer(2)]],   // [out_dim][out_dim][out_dim]
+    uint3 tid [[thread_position_in_threadgroup]],
+    uint3 bid [[threadgroup_position_in_grid]])
+{
+    uint xi = tid.x + bid.x*8;
+    uint yi = tid.y + bid.y*8;
+    uint zi = tid.z + bid.z*8;
+    if (xi >= args.out_dim || yi >= args.out_dim || zi >= args.out_dim) return;
+
+    // Cartesian coords of this output grid point
+    float3 outpt = {
+        xi * args.out_res + args.out_ox,
+        yi * args.out_res + args.out_oy,
+        zi * args.out_res + args.out_oz
+    };
+
+    // Apply inverse rotation: newpt = invQ * (outpt + untranslate - center) + center
+    float x = outpt.x + args.utx;
+    float y = outpt.y + args.uty;
+    float z = outpt.z + args.utz;
+    float3 newpt = quat_rotate(args.qa, args.qb, args.qc, args.qd,
+                                x - 0, y - 0, z - 0); // rotation is around origin after untranslate
+    newpt.x += args.cx;
+    newpt.y += args.cy;
+    newpt.z += args.cz;
+
+    // Convert to fractional input grid coordinates
+    float gx = (newpt.x - args.in_ox) / args.in_res;
+    float gy = (newpt.y - args.in_oy) / args.in_res;
+    float gz = (newpt.z - args.in_oz) / args.in_res;
+
+    // Trilinear interpolation
+    int xl = int(floor(gx)), xh = int(ceil(gx));
+    int yl = int(floor(gy)), yh = int(ceil(gy));
+    int zl = int(floor(gz)), zh = int(ceil(gz));
+
+    uint idm = args.in_dim;
+
+#define GET_PT(ix,iy,iz) ( \
+    ((ix)<0||(ix)>=(int)idm||(iy)<0||(iy)>=(int)idm||(iz)<0||(iz)>=(int)idm) \
+    ? 0.0f : in[(uint(ix)*idm + uint(iy))*idm + uint(iz)] )
+
+    float p000 = GET_PT(xl,yl,zl), p001 = GET_PT(xl,yl,zh);
+    float p010 = GET_PT(xl,yh,zl), p011 = GET_PT(xl,yh,zh);
+    float p100 = GET_PT(xh,yl,zl), p101 = GET_PT(xh,yl,zh);
+    float p110 = GET_PT(xh,yh,zl), p111 = GET_PT(xh,yh,zh);
+#undef GET_PT
+
+    float xd = (xh > xl) ? (gx - xl) / (xh - xl) : 0.0f;
+    float yd = (yh > yl) ? (gy - yl) / (yh - yl) : 0.0f;
+    float zd = (zh > zl) ? (gz - zl) / (zh - zl) : 0.0f;
+
+    float c00 = p000*(1-xd) + p100*xd;
+    float c01 = p001*(1-xd) + p101*xd;
+    float c10 = p010*(1-xd) + p110*xd;
+    float c11 = p011*(1-xd) + p111*xd;
+    float c0  = c00*(1-yd)  + c10*yd;
+    float c1  = c01*(1-yd)  + c11*yd;
+    float c   = c0*(1-zd)   + c1*zd;
+
+    out[(xi*args.out_dim + yi)*args.out_dim + zi] = c;
+}
diff --git a/src/metal_context.mm b/src/metal_context.mm
new file mode 100644
index 00000000..866220e5
--- /dev/null
+++ b/src/metal_context.mm
@@ -0,0 +1,651 @@
+/*
+ * metal_context.mm  –  Objective-C++ implementation of MetalContext
+ *
+ * Responsibilities:
+ *   • Obtain the default MTLDevice (Apple Silicon GPU)
+ *   • Compile / load the Metal shader library (default.metallib)
+ *   • Cache one MTLComputePipelineState per kernel function
+ *   • Provide synchronous dispatch helpers used by the rest of the library
+ *
+ * Memory model:
+ *   Apple Silicon has unified memory – the same physical DRAM is accessed by
+ *   both CPU and GPU.  We therefore wrap every plain malloc() pointer in a
+ *   zero-copy MTLBuffer (MTLResourceStorageModeShared) and pass it straight
+ *   to the GPU without any explicit copy.
+ */
+
+#import <Foundation/Foundation.h>
+#import <Metal/Metal.h>
+
+#include <stdexcept>
+#include <string>
+#include <unordered_map>
+#include <algorithm>
+#include <cstring>
+#include <cstdlib>
+
+#include "libmolgrid/metal_context.h"
+
+// ---------------------------------------------------------------------------
+// Internal helpers
+// ---------------------------------------------------------------------------
+
+namespace {
+
+// Throw a C++ exception from an NSError.
+void throwNSError(NSError* err, const char* context) {
+    if (err) {
+        std::string msg = std::string(context) + ": " +
+                          [err.localizedDescription UTF8String];
+        throw std::runtime_error(msg);
+    }
+}
+
+// Wrap a page-aligned (malloc'd) pointer in a zero-copy MTLBuffer.
+// Memory must be allocated with posix_memalign(16384) — see managed_grid.h.
+// The buffer does NOT own the memory; caller keeps the original allocation.
+id<MTLBuffer> wrapPtr(id<MTLDevice> device, const void* ptr, size_t bytes) {
+    if (!ptr || bytes == 0) return nil;
+    return [device newBufferWithBytesNoCopy:(void*)ptr
+                                     length:bytes
+                                    options:MTLResourceStorageModeShared
+                                deallocator:nil];
+}
+
+} // anonymous namespace
+
+// ---------------------------------------------------------------------------
+// MetalContext::Impl  –  all Objective-C state lives here
+// ---------------------------------------------------------------------------
+
+namespace libmolgrid {
+
+struct MetalContext::Impl {
+    id<MTLDevice>       device      = nil;
+    id<MTLCommandQueue> queue       = nil;
+    id<MTLLibrary>      library     = nil;
+
+    // Cache of pipeline states, keyed by function name.
+    std::unordered_map<std::string, id<MTLComputePipelineState>> pipelines;
+
+    // -----------------------------------------------------------------------
+    Impl() {
+        device = MTLCreateSystemDefaultDevice();
+        if (!device)
+            throw std::runtime_error("MetalContext: no Metal device found. "
+                                     "Apple Silicon required.");
+        queue = [device newCommandQueue];
+
+        // Load the pre-compiled shader library that CMake places next to the
+        // executable / library at build time.
+        NSError* err = nil;
+        NSString* libPath = nil;
+
+        // 1. Try alongside the dynamic library / executable.
+        NSBundle* bundle = [NSBundle mainBundle];
+        libPath = [bundle pathForResource:@"libmolgrid_shaders" ofType:@"metallib"];
+
+        // 2. Fall back to the build directory (development builds).
+        if (!libPath) {
+            // Look for default.metallib in the same directory as this .mm was built.
+            libPath = @METAL_LIBRARY_PATH; // injected by CMake via -DMETAL_LIBRARY_PATH=...
+        }
+
+        if (libPath && [[NSFileManager defaultManager] fileExistsAtPath:libPath]) {
+            library = [device newLibraryWithFile:libPath error:&err];
+            throwNSError(err, "MetalContext: failed to load metallib");
+        } else {
+            // Last resort: try the default library (works when embedded via Xcode).
+            library = [device newDefaultLibrary];
+            if (!library)
+                throw std::runtime_error("MetalContext: could not load Metal shader library. "
+                                         "Make sure libmolgrid_shaders.metallib is present.");
+        }
+    }
+
+    // -----------------------------------------------------------------------
+    // Obtain (and cache) a pipeline state for a named kernel function.
+    id<MTLComputePipelineState> pipeline(const std::string& name) {
+        auto it = pipelines.find(name);
+        if (it != pipelines.end()) return it->second;
+
+        NSError* err = nil;
+        id<MTLFunction> fn = [library newFunctionWithName:@(name.c_str())];
+        if (!fn)
+            throw std::runtime_error("MetalContext: kernel function '" + name +
+                                     "' not found in shader library");
+        id<MTLComputePipelineState> ps =
+            [device newComputePipelineStateWithFunction:fn error:&err];
+        throwNSError(err, ("MetalContext: pipeline for " + name).c_str());
+        pipelines[name] = ps;
+        return ps;
+    }
+
+    // -----------------------------------------------------------------------
+    // Generic 1-D dispatch.  N work items, up to 512 per threadgroup.
+    void dispatch1D(const std::string& kernelName,
+                    NSUInteger N,
+                    std::function<void(id<MTLComputeCommandEncoder>)> setArgs)
+    {
+        if (N == 0) return;
+        id<MTLComputePipelineState> ps = pipeline(kernelName);
+        id<MTLCommandBuffer> cb = [queue commandBuffer];
+        id<MTLComputeCommandEncoder> enc = [cb computeCommandEncoder];
+        [enc setComputePipelineState:ps];
+        setArgs(enc);
+        NSUInteger tpg = std::min(ps.maxTotalThreadsPerThreadgroup, (NSUInteger)512);
+        NSUInteger groups = (N + tpg - 1) / tpg;
+        [enc dispatchThreadgroups:MTLSizeMake(groups, 1, 1)
+            threadsPerThreadgroup:MTLSizeMake(tpg, 1, 1)];
+        [enc endEncoding];
+        [cb commit];
+        [cb waitUntilCompleted];
+    }
+
+    // -----------------------------------------------------------------------
+    // Generic 3-D dispatch.  blocks × threads in X,Y,Z.
+    void dispatch3D(const std::string& kernelName,
+                    MTLSize blocks, MTLSize threads,
+                    std::function<void(id<MTLComputeCommandEncoder>)> setArgs)
+    {
+        id<MTLComputePipelineState> ps = pipeline(kernelName);
+        id<MTLCommandBuffer> cb = [queue commandBuffer];
+        id<MTLComputeCommandEncoder> enc = [cb computeCommandEncoder];
+        [enc setComputePipelineState:ps];
+        setArgs(enc);
+        [enc dispatchThreadgroups:blocks threadsPerThreadgroup:threads];
+        [enc endEncoding];
+        [cb commit];
+        [cb waitUntilCompleted];
+    }
+};
+
+// ---------------------------------------------------------------------------
+// MetalContext singleton
+// ---------------------------------------------------------------------------
+
+MetalContext& MetalContext::instance() {
+    static MetalContext ctx;
+    return ctx;
+}
+
+MetalContext::MetalContext() : impl_(new Impl()) {}
+MetalContext::~MetalContext() { delete impl_; }
+
+// ---------------------------------------------------------------------------
+// synchronize / max_element
+// ---------------------------------------------------------------------------
+
+void MetalContext::synchronize() {
+    // All dispatches above are synchronous (waitUntilCompleted).
+    // This is a no-op but kept for API completeness.
+}
+
+float MetalContext::max_element(const float* data, size_t n) {
+    // Unified memory: just scan on CPU – zero extra cost on Apple Silicon.
+    if (n == 0) return 0.0f;
+    return *std::max_element(data, data + n);
+}
+
+// ---------------------------------------------------------------------------
+// Transform kernels
+// ---------------------------------------------------------------------------
+
+// Struct matching the Metal shader's constant buffer layout.
+struct TransformArgs {
+    unsigned n;
+    float qa, qb, qc, qd;       // quaternion
+    float cx, cy, cz;            // center
+    float tx, ty, tz;            // translate
+};
+
+void MetalContext::transform_forward(unsigned n,
+                                     const QuatParams& Q,
+                                     float3 center, float3 translate,
+                                     const float* in, float* out,
+                                     bool dotranslate)
+{
+    TransformArgs args {
+        n,
+        Q.a, Q.b, Q.c, Q.d,
+        center.x, center.y, center.z,
+        translate.x, translate.y, translate.z
+    };
+    const std::string kname = dotranslate ? "transform_forward_translate"
+                                          : "transform_forward_rotate";
+    size_t bytes = (size_t)n * 3 * sizeof(float);
+    id<MTLBuffer> bufIn  = wrapPtr(impl_->device, in,  bytes);
+    id<MTLBuffer> bufOut = wrapPtr(impl_->device, out, bytes);
+
+    impl_->dispatch1D(kname, n, [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args length:sizeof(args) atIndex:0];
+        [enc setBuffer:bufIn  offset:0 atIndex:1];
+        [enc setBuffer:bufOut offset:0 atIndex:2];
+    });
+}
+
+void MetalContext::transform_backward(unsigned n,
+                                      const QuatParams& invQ,
+                                      float3 center, float3 translate,
+                                      const float* in, float* out,
+                                      bool dotranslate)
+{
+    // Backward = first (optionally) untranslate then inverse-rotate.
+    // We reuse the same kernels with the inverse quaternion & negated translate.
+    if (dotranslate) {
+        // Step 1: untranslate
+        TransformArgs targs {
+            n,
+            1,0,0,0,                                   // identity quat
+            0,0,0,                                     // center unused
+            -translate.x, -translate.y, -translate.z
+        };
+        size_t bytes = (size_t)n * 3 * sizeof(float);
+        id<MTLBuffer> bufIn  = wrapPtr(impl_->device, in,  bytes);
+        id<MTLBuffer> bufOut = wrapPtr(impl_->device, out, bytes);
+        impl_->dispatch1D("transform_translate_only", n,
+                          [&](id<MTLComputeCommandEncoder> enc) {
+            [enc setBytes:&targs length:sizeof(targs) atIndex:0];
+            [enc setBuffer:bufIn  offset:0 atIndex:1];
+            [enc setBuffer:bufOut offset:0 atIndex:2];
+        });
+        // Step 2: inverse-rotate (in-place: out→out)
+        TransformArgs rargs {
+            n,
+            invQ.a, invQ.b, invQ.c, invQ.d,
+            center.x, center.y, center.z,
+            0,0,0
+        };
+        id<MTLBuffer> bufInOut = wrapPtr(impl_->device, out, bytes);
+        impl_->dispatch1D("transform_rotate_only", n,
+                          [&](id<MTLComputeCommandEncoder> enc) {
+            [enc setBytes:&rargs length:sizeof(rargs) atIndex:0];
+            [enc setBuffer:bufInOut offset:0 atIndex:1];
+            [enc setBuffer:bufInOut offset:0 atIndex:2];
+        });
+    } else {
+        TransformArgs args {
+            n,
+            invQ.a, invQ.b, invQ.c, invQ.d,
+            center.x, center.y, center.z,
+            0,0,0
+        };
+        size_t bytes = (size_t)n * 3 * sizeof(float);
+        id<MTLBuffer> bufIn  = wrapPtr(impl_->device, in,  bytes);
+        id<MTLBuffer> bufOut = wrapPtr(impl_->device, out, bytes);
+        impl_->dispatch1D("transform_rotate_only", n,
+                          [&](id<MTLComputeCommandEncoder> enc) {
+            [enc setBytes:&args length:sizeof(args) atIndex:0];
+            [enc setBuffer:bufIn  offset:0 atIndex:1];
+            [enc setBuffer:bufOut offset:0 atIndex:2];
+        });
+    }
+}
+
+// ---------------------------------------------------------------------------
+// CoordinateSet kernels
+// ---------------------------------------------------------------------------
+
+struct SumTypesArgs { unsigned natoms; unsigned ntypes; };
+
+void MetalContext::sum_vector_types(const float* types, unsigned natoms,
+                                    unsigned ntypes, float* sum)
+{
+    SumTypesArgs args {natoms, ntypes};
+    id<MTLBuffer> bufTypes = wrapPtr(impl_->device, types,
+                                     (size_t)natoms * ntypes * sizeof(float));
+    id<MTLBuffer> bufSum   = wrapPtr(impl_->device, sum,
+                                     (size_t)ntypes * sizeof(float));
+    impl_->dispatch1D("sum_vector_types", ntypes,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args  length:sizeof(args) atIndex:0];
+        [enc setBuffer:bufTypes offset:0 atIndex:1];
+        [enc setBuffer:bufSum   offset:0 atIndex:2];
+    });
+}
+
+void MetalContext::sum_index_types(const float* type_index, unsigned natoms,
+                                   unsigned ntypes, float* sum)
+{
+    SumTypesArgs args {natoms, ntypes};
+    id<MTLBuffer> bufIdx = wrapPtr(impl_->device, type_index,
+                                   (size_t)natoms * sizeof(float));
+    id<MTLBuffer> bufSum = wrapPtr(impl_->device, sum,
+                                   (size_t)ntypes * sizeof(float));
+    impl_->dispatch1D("sum_index_types", ntypes,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args  length:sizeof(args) atIndex:0];
+        [enc setBuffer:bufIdx offset:0 atIndex:1];
+        [enc setBuffer:bufSum offset:0 atIndex:2];
+    });
+}
+
+// ---------------------------------------------------------------------------
+// GridMaker forward kernels
+// ---------------------------------------------------------------------------
+
+struct ForwardArgs {
+    GridMakerParams gm;
+    float ox, oy, oz;  // grid_origin
+    unsigned natoms;
+    unsigned ntypes;
+    unsigned dim;
+};
+
+void MetalContext::forward_index(const GridMakerParams& gm,
+                                 float3 grid_origin,
+                                 const float* coords, unsigned natoms,
+                                 const float* type_index,
+                                 const float* radii,
+                                 float* out, unsigned ntypes, unsigned dim,
+                                 bool binary)
+{
+    ForwardArgs args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+                       natoms, ntypes, dim };
+
+    size_t coordBytes = (size_t)natoms * 3 * sizeof(float);
+    size_t atomBytes  = (size_t)natoms * sizeof(float);
+    size_t outBytes   = (size_t)ntypes * dim * dim * dim * sizeof(float);
+
+    id<MTLBuffer> bCoords = wrapPtr(impl_->device, coords,     coordBytes);
+    id<MTLBuffer> bTypes  = wrapPtr(impl_->device, type_index, atomBytes);
+    id<MTLBuffer> bRadii  = wrapPtr(impl_->device, radii,      atomBytes);
+    id<MTLBuffer> bOut    = wrapPtr(impl_->device, out,         outBytes);
+
+    const std::string kname = binary ? "forward_index_binary"
+                                     : "forward_index_gaussian";
+
+    // 3-D grid of blocks, 8×8×8 threads per block (= 512).
+    unsigned bps = (dim + 7) / 8;
+    MTLSize blocks  = MTLSizeMake(bps, bps, bps);
+    MTLSize threads = MTLSizeMake(8, 8, 8);
+
+    impl_->dispatch3D(kname, blocks, threads,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args  length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords offset:0 atIndex:1];
+        [enc setBuffer:bTypes  offset:0 atIndex:2];
+        [enc setBuffer:bRadii  offset:0 atIndex:3];
+        [enc setBuffer:bOut    offset:0 atIndex:4];
+    });
+}
+
+void MetalContext::forward_vec(const GridMakerParams& gm,
+                               float3 grid_origin,
+                               const float* coords, unsigned natoms,
+                               const float* type_vector, unsigned ntypes,
+                               const float* radii, float maxradius,
+                               float* out, unsigned dim,
+                               bool binary, bool radii_type_indexed)
+{
+    struct FwdVecArgs {
+        GridMakerParams gm;
+        float ox, oy, oz;
+        unsigned natoms;
+        unsigned ntypes;
+        unsigned dim;
+        float maxradius;
+        int radii_type_indexed;
+    } args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+             natoms, ntypes, dim, maxradius, (int)radii_type_indexed };
+
+    size_t coordBytes = (size_t)natoms * 3 * sizeof(float);
+    size_t typeBytes  = (size_t)natoms * ntypes * sizeof(float);
+    size_t radiiBytes = radii_type_indexed ? (size_t)ntypes * sizeof(float)
+                                           : (size_t)natoms * sizeof(float);
+    size_t outBytes   = (size_t)ntypes * dim * dim * dim * sizeof(float);
+
+    id<MTLBuffer> bCoords = wrapPtr(impl_->device, coords,      coordBytes);
+    id<MTLBuffer> bTypes  = wrapPtr(impl_->device, type_vector, typeBytes);
+    id<MTLBuffer> bRadii  = wrapPtr(impl_->device, radii,       radiiBytes);
+    id<MTLBuffer> bOut    = wrapPtr(impl_->device, out,          outBytes);
+
+    std::string kname;
+    if (binary && radii_type_indexed)      kname = "forward_vec_binary_rti";
+    else if (binary)                       kname = "forward_vec_binary";
+    else if (radii_type_indexed)           kname = "forward_vec_gaussian_rti";
+    else                                   kname = "forward_vec_gaussian";
+
+    unsigned bps = (dim + 7) / 8;
+    MTLSize blocks  = MTLSizeMake(bps, bps, bps);
+    MTLSize threads = MTLSizeMake(8, 8, 8);
+
+    impl_->dispatch3D(kname, blocks, threads,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args  length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords offset:0 atIndex:1];
+        [enc setBuffer:bTypes  offset:0 atIndex:2];
+        [enc setBuffer:bRadii  offset:0 atIndex:3];
+        [enc setBuffer:bOut    offset:0 atIndex:4];
+    });
+}
+
+// ---------------------------------------------------------------------------
+// GridMaker backward kernels
+// ---------------------------------------------------------------------------
+
+void MetalContext::backward_index(const GridMakerParams& gm,
+                                  float3 grid_origin,
+                                  const float* coords,
+                                  const float* type_index,
+                                  const float* radii,
+                                  const float* grid,
+                                  float* atom_gradients,
+                                  unsigned natoms, unsigned ntypes,
+                                  unsigned dim)
+{
+    struct BwdArgs {
+        GridMakerParams gm;
+        float ox, oy, oz;
+        unsigned natoms;
+        unsigned ntypes;
+        unsigned dim;
+    } args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+             natoms, ntypes, dim };
+
+    id<MTLBuffer> bCoords   = wrapPtr(impl_->device, coords,         natoms*3*sizeof(float));
+    id<MTLBuffer> bTypes    = wrapPtr(impl_->device, type_index,     natoms*sizeof(float));
+    id<MTLBuffer> bRadii    = wrapPtr(impl_->device, radii,          natoms*sizeof(float));
+    id<MTLBuffer> bGrid     = wrapPtr(impl_->device, grid,           ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bGrad     = wrapPtr(impl_->device, atom_gradients, natoms*3*sizeof(float));
+
+    impl_->dispatch1D("set_atom_gradients", natoms,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args  length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords offset:0 atIndex:1];
+        [enc setBuffer:bTypes  offset:0 atIndex:2];
+        [enc setBuffer:bRadii  offset:0 atIndex:3];
+        [enc setBuffer:bGrid   offset:0 atIndex:4];
+        [enc setBuffer:bGrad   offset:0 atIndex:5];
+    });
+}
+
+void MetalContext::backward_vec(const GridMakerParams& gm,
+                                float3 grid_origin,
+                                const float* coords,
+                                const float* type_vector, unsigned ntypes,
+                                const float* radii,
+                                const float* grid,
+                                float* atom_gradients,
+                                float* type_gradients,
+                                unsigned natoms, unsigned dim,
+                                bool radii_type_indexed)
+{
+    struct BwdVecArgs {
+        GridMakerParams gm;
+        float ox, oy, oz;
+        unsigned natoms;
+        unsigned ntypes;
+        unsigned dim;
+        int radii_type_indexed;
+    } args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+             natoms, ntypes, dim, (int)radii_type_indexed };
+
+    size_t radiiBytes = radii_type_indexed ? ntypes*sizeof(float)
+                                           : natoms*sizeof(float);
+
+    id<MTLBuffer> bCoords    = wrapPtr(impl_->device, coords,          natoms*3*sizeof(float));
+    id<MTLBuffer> bTypes     = wrapPtr(impl_->device, type_vector,     natoms*ntypes*sizeof(float));
+    id<MTLBuffer> bRadii     = wrapPtr(impl_->device, radii,           radiiBytes);
+    id<MTLBuffer> bGrid      = wrapPtr(impl_->device, grid,            ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bAtomGrad  = wrapPtr(impl_->device, atom_gradients,  natoms*3*sizeof(float));
+    id<MTLBuffer> bTypeGrad  = wrapPtr(impl_->device, type_gradients,  natoms*ntypes*sizeof(float));
+
+    const std::string kname = radii_type_indexed ? "set_atom_type_gradients_rti"
+                                                 : "set_atom_type_gradients";
+    // 2-D block grid: x=atoms, y=types
+    unsigned ablocks = (natoms + 511) / 512;
+    MTLSize blocks  = MTLSizeMake(ablocks, ntypes, 1);
+    MTLSize threads = MTLSizeMake(512, 1, 1);
+
+    impl_->dispatch3D(kname, blocks, threads,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args   length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords    offset:0 atIndex:1];
+        [enc setBuffer:bTypes     offset:0 atIndex:2];
+        [enc setBuffer:bRadii     offset:0 atIndex:3];
+        [enc setBuffer:bGrid      offset:0 atIndex:4];
+        [enc setBuffer:bAtomGrad  offset:0 atIndex:5];
+        [enc setBuffer:bTypeGrad  offset:0 atIndex:6];
+    });
+}
+
+void MetalContext::backward_gradients(const GridMakerParams& gm,
+                                      float3 grid_origin,
+                                      const float* coords,
+                                      const float* type_vector, unsigned ntypes,
+                                      const float* radii,
+                                      const float* diff,
+                                      const float* atom_gradients,
+                                      const float* type_gradients,
+                                      float* diffdiff,
+                                      float* atom_diffdiff,
+                                      float* type_diffdiff,
+                                      unsigned natoms, unsigned dim,
+                                      bool radii_type_indexed)
+{
+    struct GGArgs {
+        GridMakerParams gm;
+        float ox, oy, oz;
+        unsigned natoms;
+        unsigned ntypes;
+        unsigned dim;
+        int radii_type_indexed;
+    } args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+             natoms, ntypes, dim, (int)radii_type_indexed };
+
+    size_t radiiBytes = radii_type_indexed ? ntypes*sizeof(float) : natoms*sizeof(float);
+
+    id<MTLBuffer> bCoords    = wrapPtr(impl_->device, coords,          natoms*3*sizeof(float));
+    id<MTLBuffer> bTypes     = wrapPtr(impl_->device, type_vector,     natoms*ntypes*sizeof(float));
+    id<MTLBuffer> bRadii     = wrapPtr(impl_->device, radii,           radiiBytes);
+    id<MTLBuffer> bDiff      = wrapPtr(impl_->device, diff,            ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bAGrad     = wrapPtr(impl_->device, atom_gradients,  natoms*3*sizeof(float));
+    id<MTLBuffer> bTGrad     = wrapPtr(impl_->device, type_gradients,  natoms*ntypes*sizeof(float));
+    id<MTLBuffer> bDD        = wrapPtr(impl_->device, diffdiff,        ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bADD       = wrapPtr(impl_->device, atom_diffdiff,   natoms*3*sizeof(float));
+    id<MTLBuffer> bTDD       = wrapPtr(impl_->device, type_diffdiff,   natoms*ntypes*sizeof(float));
+
+    const std::string kname = radii_type_indexed ? "set_atom_type_grad_grad_rti"
+                                                 : "set_atom_type_grad_grad";
+    unsigned ablocks = (natoms + 511) / 512;
+    MTLSize blocks  = MTLSizeMake(ablocks, ntypes, 1);
+    MTLSize threads = MTLSizeMake(512, 1, 1);
+
+    impl_->dispatch3D(kname, blocks, threads,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords offset:0 atIndex:1];
+        [enc setBuffer:bTypes  offset:0 atIndex:2];
+        [enc setBuffer:bRadii  offset:0 atIndex:3];
+        [enc setBuffer:bDiff   offset:0 atIndex:4];
+        [enc setBuffer:bAGrad  offset:0 atIndex:5];
+        [enc setBuffer:bTGrad  offset:0 atIndex:6];
+        [enc setBuffer:bDD     offset:0 atIndex:7];
+        [enc setBuffer:bADD    offset:0 atIndex:8];
+        [enc setBuffer:bTDD    offset:0 atIndex:9];
+    });
+}
+
+void MetalContext::backward_relevance(const GridMakerParams& gm,
+                                      float3 grid_origin,
+                                      const float* coords,
+                                      const float* type_index,
+                                      const float* radii,
+                                      const float* density,
+                                      const float* diff,
+                                      float* relevance,
+                                      unsigned natoms, unsigned ntypes,
+                                      unsigned dim)
+{
+    struct RelArgs {
+        GridMakerParams gm;
+        float ox, oy, oz;
+        unsigned natoms;
+        unsigned ntypes;
+        unsigned dim;
+    } args { gm, grid_origin.x, grid_origin.y, grid_origin.z,
+             natoms, ntypes, dim };
+
+    id<MTLBuffer> bCoords  = wrapPtr(impl_->device, coords,     natoms*3*sizeof(float));
+    id<MTLBuffer> bTypes   = wrapPtr(impl_->device, type_index, natoms*sizeof(float));
+    id<MTLBuffer> bRadii   = wrapPtr(impl_->device, radii,      natoms*sizeof(float));
+    id<MTLBuffer> bDens    = wrapPtr(impl_->device, density,    ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bDiff    = wrapPtr(impl_->device, diff,       ntypes*dim*dim*dim*sizeof(float));
+    id<MTLBuffer> bRel     = wrapPtr(impl_->device, relevance,  natoms*sizeof(float));
+
+    impl_->dispatch1D("set_atom_relevance", natoms,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args length:sizeof(args) atIndex:0];
+        [enc setBuffer:bCoords offset:0 atIndex:1];
+        [enc setBuffer:bTypes  offset:0 atIndex:2];
+        [enc setBuffer:bRadii  offset:0 atIndex:3];
+        [enc setBuffer:bDens   offset:0 atIndex:4];
+        [enc setBuffer:bDiff   offset:0 atIndex:5];
+        [enc setBuffer:bRel    offset:0 atIndex:6];
+    });
+}
+
+// ---------------------------------------------------------------------------
+// GridInterpolater kernel
+// ---------------------------------------------------------------------------
+
+void MetalContext::grid_interpolate(const float* in,  unsigned in_dim,
+                                    float3 in_origin,  float in_res,
+                                    const QuatParams& invQ,
+                                    float3 untranslate, float3 center,
+                                    float* out, unsigned out_dim,
+                                    float3 out_origin, float out_res)
+{
+    struct InterpArgs {
+        float in_ox, in_oy, in_oz, in_res;
+        unsigned in_dim;
+        float out_ox, out_oy, out_oz, out_res;
+        unsigned out_dim;
+        float qa, qb, qc, qd;
+        float utx, uty, utz;
+        float cx, cy, cz;
+    } args {
+        in_origin.x, in_origin.y, in_origin.z, in_res, in_dim,
+        out_origin.x, out_origin.y, out_origin.z, out_res, out_dim,
+        invQ.a, invQ.b, invQ.c, invQ.d,
+        untranslate.x, untranslate.y, untranslate.z,
+        center.x, center.y, center.z
+    };
+
+    id<MTLBuffer> bIn  = wrapPtr(impl_->device, in,  (size_t)in_dim*in_dim*in_dim*sizeof(float));
+    id<MTLBuffer> bOut = wrapPtr(impl_->device, out, (size_t)out_dim*out_dim*out_dim*sizeof(float));
+
+    unsigned bps = (out_dim + 7) / 8;
+    MTLSize blocks  = MTLSizeMake(bps, bps, bps);
+    MTLSize threads = MTLSizeMake(8, 8, 8);
+
+    impl_->dispatch3D("gpu_set_outgrid", blocks, threads,
+                      [&](id<MTLComputeCommandEncoder> enc) {
+        [enc setBytes:&args length:sizeof(args) atIndex:0];
+        [enc setBuffer:bIn  offset:0 atIndex:1];
+        [enc setBuffer:bOut offset:0 atIndex:2];
+    });
+}
+
+} // namespace libmolgrid
diff --git a/src/transform_gpu.mm b/src/transform_gpu.mm
new file mode 100644
index 00000000..d6396260
--- /dev/null
+++ b/src/transform_gpu.mm
@@ -0,0 +1,60 @@
+/*
+ * transform_gpu.mm
+ *
+ * Metal (MPS) GPU dispatch for Transform class.
+ * Replaces the original transform.cu.
+ */
+
+#include "libmolgrid/transform.h"
+#include "libmolgrid/metal_context.h"
+
+namespace libmolgrid {
+
+template <typename Dtype>
+void Transform::forward(const Grid<Dtype, 2, true>& in,
+                         Grid<Dtype, 2, true>& out,
+                         bool dotranslate) const
+{
+    checkGrids(in, out);
+    unsigned N = in.dimension(0);
+    if (N == 0) return;
+
+    QuatParams qp { Q.R_component_1(), Q.R_component_2(),
+                    Q.R_component_3(), Q.R_component_4() };
+
+    MetalContext::instance().transform_forward(
+        N, qp, center, translate,
+        reinterpret_cast<const float*>(in.data()),
+        reinterpret_cast<float*>(out.data()),
+        dotranslate);
+}
+
+template void Transform::forward(const Grid<float, 2, true>&,
+                                  Grid<float, 2, true>&, bool) const;
+
+template <typename Dtype>
+void Transform::backward(const Grid<Dtype, 2, true>& in,
+                          Grid<Dtype, 2, true>& out,
+                          bool dotranslate) const
+{
+    checkGrids(in, out);
+    unsigned N = in.dimension(0);
+    if (N == 0) return;
+
+    Quaternion invQ = Q.inverse();
+    QuatParams qp { invQ.R_component_1(), invQ.R_component_2(),
+                    invQ.R_component_3(), invQ.R_component_4() };
+
+    MetalContext::instance().transform_backward(
+        N, qp, center, translate,
+        reinterpret_cast<const float*>(in.data()),
+        reinterpret_cast<float*>(out.data()),
+        dotranslate);
+}
+
+template void Transform::backward(const Grid<float,  2, true>&,
+                                   Grid<float,  2, true>&, bool) const;
+template void Transform::backward(const Grid<double, 2, true>&,
+                                   Grid<double, 2, true>&, bool) const;
+
+} // namespace libmolgrid
diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index 42313ee3..c5190bcd 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -1,24 +1,24 @@
 
 #Prep ourselves for compiling boost
 set(Boost_USE_STATIC_LIBS OFF) #unit_test_framework has to be shared
-find_package(Boost COMPONENTS unit_test_framework system REQUIRED)
+find_package(Boost COMPONENTS unit_test_framework REQUIRED)
 include_directories (${Boost_INCLUDE_DIRS})
 find_package(OpenBabel3 REQUIRED)
 include_directories(SYSTEM ${OPENBABEL3_INCLUDE_DIR})
 
-#get all cpp files
+#get all cpp/mm files
 set( TEST_SRCS
  test_coordinateset.cpp
  test_grid.cpp
- test_grid.cu
+ test_grid_mps.mm
  test_gridmaker.cpp
- test_gridmaker.cu
+ test_gridmaker_mps.mm
  test_gridinterp.cpp
  test_mgrid.cpp
- test_mgrid.cu
+ test_mgrid_mps.mm
  test_quaternion.cpp
  test_transform.cpp
- test_transform.cu
+ test_transform_mps.mm
 )
 
 #Run through each source
@@ -33,9 +33,11 @@ foreach(testSrc ${TEST_SRCS})
 
         #link to Boost libraries AND your targets and dependencies
         if(BUILD_STATIC)
-           target_link_libraries(${testName} libmolgrid_static ${Boost_LIBRARIES} ${CUDA_LIBRARIES})
+           target_link_libraries(${testName} libmolgrid_static ${Boost_LIBRARIES}
+               "-framework Metal" "-framework Foundation")
         else()
-           target_link_libraries(${testName} libmolgrid_shared ${Boost_LIBRARIES} ${CUDA_LIBRARIES})
+           target_link_libraries(${testName} libmolgrid_shared ${Boost_LIBRARIES}
+               "-framework Metal" "-framework Foundation")
         endif()
 
         #Finally add it to test execution -
diff --git a/test/test_grid_mps.mm b/test/test_grid_mps.mm
new file mode 100644
index 00000000..c14c4c76
--- /dev/null
+++ b/test/test_grid_mps.mm
@@ -0,0 +1,95 @@
+/*
+ * test_grid_mps.mm
+ *
+ * Tests for Grid<> on Apple Silicon (replaces test_grid.cu).
+ * On Apple Silicon all memory is unified so GPU grids are accessible
+ * directly from the CPU.
+ */
+
+#define BOOST_TEST_MODULE grid_mps_test
+#include <boost/test/unit_test.hpp>
+
+#include <numeric>
+#include "libmolgrid/grid.h"
+
+using namespace libmolgrid;
+
+BOOST_AUTO_TEST_CASE( constructors )
+{
+  // Compilation + basic layout test.
+  const int SIZE = 256 * 8;
+  float  *f = (float*)  malloc(SIZE);
+  double *d = (double*) malloc(SIZE);
+  memset(f, 0, SIZE);
+  memset(d, 0, SIZE);
+
+  Grid1fCUDA g1f(f, 100);
+  Grid2fCUDA g2f(f, 100, 1);
+  Grid4fCUDA g4f(f, 2, 1, 2, 25);
+  Grid6fCUDA g6f(f, 1, 2, 1, 2, 25, 1);
+
+  Grid1dCUDA g1d(d, 3);
+  Grid2dCUDA g2d(d, 64, 2);
+  Grid4dCUDA g4d(d, 2, 2, 2, 16);
+
+  BOOST_CHECK_EQUAL(g1f.data(), g6f.data());
+  BOOST_CHECK_EQUAL(g2d.data(), g4d.data());
+  BOOST_CHECK_NE((void*)g4f.data(), (void*)g4d.data());
+
+  free(f);
+  free(d);
+}
+
+BOOST_AUTO_TEST_CASE( direct_indexing )
+{
+  const int N = 256;
+  // Unified memory: use malloc; accessible from Metal kernels.
+  float  *f = (float*)  malloc(N * sizeof(float));
+  double *d = (double*) malloc(N * sizeof(double));
+  memset(f, 0, N * sizeof(float));
+  memset(d, 0, N * sizeof(double));
+
+  for (int i = 0; i < N; i++) f[i] = (float)i;
+
+  Grid2fCUDA F(f, 8, 32);
+  Grid2dCUDA D(d, 8, 32);
+
+  // CPU copy (no kernel needed – this is the unified-memory equivalent).
+  for (int i = 0; i < 8; i++)
+    for (int j = 0; j < 32; j++)
+      D(i, j) = F(i, j);
+
+  for (int i = 0; i < N; i++) BOOST_CHECK_EQUAL(d[i], (double)i);
+
+  free(f);
+  free(d);
+}
+
+BOOST_AUTO_TEST_CASE( indirect_indexing )
+{
+  const int N = 256;
+  float  *f = (float*)  malloc(N * sizeof(float));
+  double *d = (double*) malloc(N * sizeof(double));
+  for (int i = 0; i < N; i++) { f[i] = (float)i; d[i] = 0.0; }
+
+  Grid3fCUDA F(f, 8, 16, 2);
+  Grid3dCUDA D(d, 8, 16, 2);
+
+  // CPU copy via bracket indexing
+  for (int i = 0; i < 8;  i++)
+    for (int j = 0; j < 16; j++)
+      for (int k = 0; k < 2;  k++)
+        D[i][j][k] = F[i][j][k];
+
+  for (int i = 0; i < N; i++) BOOST_CHECK_EQUAL(d[i], (double)i);
+
+  // Zero out slice F[3][5]
+  Grid1fCUDA F1 = F[3][5];
+  memset(F1.data(), 0, F1.size() * sizeof(float));
+
+  float fsum = std::accumulate(f, f + N, 0.0f);
+  BOOST_CHECK_EQUAL(fsum, 32427.0f);
+
+  free(f);
+  free(d);
+}
diff --git a/test/test_gridmaker.cpp b/test/test_gridmaker.cpp
index c8ef782c..ed1d24f5 100644
--- a/test/test_gridmaker.cpp
+++ b/test/test_gridmaker.cpp
@@ -144,7 +144,7 @@ BOOST_AUTO_TEST_CASE(forward_gpu) {
   MGrid4f out(ntypes, grid_dims.x, grid_dims.y, grid_dims.z);
   Grid4fCUDA gpu_grid = out.gpu();
   size_t gsize = grid_dims.x * grid_dims.y * grid_dims.z * ntypes;
-  LMG_CUDA_CHECK(cudaMemset(gpu_grid.data(), 0, gsize * sizeof(float)));
+  memset(gpu_grid.data(), 0, gsize * sizeof(float));
   gmaker.forward(grid_center, coordgpu, gpu_grid);
   out.tocpu();
 
diff --git a/test/test_gridmaker_mps.mm b/test/test_gridmaker_mps.mm
new file mode 100644
index 00000000..d920331b
--- /dev/null
+++ b/test/test_gridmaker_mps.mm
@@ -0,0 +1,65 @@
+/*
+ * test_gridmaker_mps.mm
+ *
+ * Tests for GridMaker on Apple Silicon (replaces test_gridmaker.cu).
+ * On Apple Silicon unified memory the GPU and CPU share the same buffer,
+ * so GPU and CPU forward passes must produce identical results.
+ */
+
+#define BOOST_TEST_MODULE gridmaker_mps_test
+#include <boost/test/unit_test.hpp>
+#include <iostream>
+#include <iomanip>
+
+#include "test_util.h"
+
+#include "libmolgrid/grid_maker.h"
+#include "libmolgrid/atom_typer.h"
+
+#define TOL 0.0001f
+using namespace libmolgrid;
+
+
+BOOST_AUTO_TEST_CASE(forward_agreement) {
+  size_t natoms = 1000;
+  float resolution = 0.5;
+  float dimension = 23.5;
+  float radiusmultiple = 1.5;
+  GridMaker gmaker(resolution, dimension, radiusmultiple);
+  float3 dim = gmaker.get_grid_dims();
+
+  // Randomly generated example: check equivalence between GPU (Metal) and CPU.
+  random_engine.seed(0);
+  MGrid2f coords(natoms, 3);
+  MGrid1f type_indices(natoms);
+  MGrid1f radii(natoms);
+  size_t ntypes = (unsigned)GninaIndexTyper::NumTypes;
+  MGrid4f cout(ntypes, dim.x, dim.y, dim.z);
+  make_mol(coords.cpu(), type_indices.cpu(), radii.cpu(), natoms);
+  float3 grid_center = make_float3(0, 0, 0);
+
+  // CPU forward pass
+  gmaker.forward(grid_center, coords.cpu(), type_indices.cpu(), radii.cpu(), cout.cpu());
+
+  // GPU (Metal) forward pass — same pointers on unified memory
+  MGrid4f gout(ntypes, dim.x, dim.y, dim.z);
+  gmaker.forward(grid_center, coords.gpu(), type_indices.gpu(), radii.gpu(), gout.gpu());
+  // tocpu() is a no-op on unified memory but kept for API symmetry
+  gout.tocpu();
+
+  // Check equivalence
+  for (size_t ch = 0; ch < GninaIndexTyper::NumTypes; ++ch) {
+    for (size_t i = 0; i < dim.x; ++i) {
+      for (size_t j = 0; j < dim.y; ++j) {
+        for (size_t k = 0; k < dim.z; ++k) {
+          size_t offset = ((((ch * dim.x) + i) * dim.y) + j) * dim.z + k;
+          BOOST_CHECK_SMALL(*(cout.cpu().data() + offset) - *(gout.cpu().data() + offset), TOL);
+        }
+      }
+    }
+  }
+
+  // Ensure grids are non-empty
+  BOOST_CHECK_EQUAL(grid_empty(cout.cpu()), false);
+  BOOST_CHECK_EQUAL(grid_empty(gout.cpu()), false);
+}
diff --git a/test/test_mgrid_mps.mm b/test/test_mgrid_mps.mm
new file mode 100644
index 00000000..f0c0eb55
--- /dev/null
+++ b/test/test_mgrid_mps.mm
@@ -0,0 +1,80 @@
+/*
+ * test_mgrid_mps.mm
+ *
+ * Tests for ManagedGrid on Apple Silicon (replaces test_mgrid.cu).
+ * On Apple Silicon unified memory the same buffer is visible to both
+ * CPU and Metal GPU without explicit copies.
+ */
+
+#define BOOST_TEST_MODULE mgrid_mps_test
+#include <boost/test/unit_test.hpp>
+
+#include <numeric>
+#include "libmolgrid/managed_grid.h"
+
+using namespace libmolgrid;
+
+BOOST_AUTO_TEST_CASE( unifiedmem )
+{
+  MGrid1f g(100);
+  for (unsigned i = 0; i < 100; i++) g[i] = (float)i;
+
+  // Unified memory: GPU view points at the same buffer.
+  float sum = std::accumulate(g.gpu().data(),
+                               g.gpu().data() + g.size(), 0.0f);
+  BOOST_CHECK_EQUAL(sum, 4950.0f);
+}
+
+BOOST_AUTO_TEST_CASE( grid_conversion )
+{
+  MGrid3f g3(7, 13, 11);
+  MGrid1f g1(100);
+
+  for (unsigned i = 0; i < 7;   i++)
+    for (unsigned j = 0; j < 13; j++)
+      for (unsigned k = 0; k < 11; k++)
+        g3[i][j][k] = (float)(i + j + k);
+
+  for (unsigned i = 0; i < 100; i++) g1(i) = (float)i;
+
+  Grid3fCUDA gpu3(g3);
+  Grid1fCUDA gpu1 = g1.gpu();
+
+  float sum3 = std::accumulate(gpu3.data(), gpu3.data() + gpu3.size(), 0.0f);
+  BOOST_CHECK_EQUAL(sum3, 14014.0f);
+
+  float sum1 = std::accumulate(gpu1.data(), gpu1.data() + gpu1.size(), 0.0f);
+  BOOST_CHECK_EQUAL(sum1, 4950.0f);
+}
+
+BOOST_AUTO_TEST_CASE( grid_conversion2 )
+{
+  MGrid3f g3(7, 13, 11);
+  MGrid1f g1(100);
+
+  for (unsigned i = 0; i < 7;   i++)
+    for (unsigned j = 0; j < 13; j++)
+      for (unsigned k = 0; k < 11; k++)
+        g3[i][j][k] = (float)(i + j + k);
+
+  for (unsigned i = 0; i < 100; i++) g1(i) = (float)i;
+
+  Grid3f cpu3(g3);
+  Grid1f cpu1 = g1.cpu();
+
+  float sum3 = std::accumulate(cpu3.data(), cpu3.data() + cpu3.size(), 0.0f);
+  BOOST_CHECK_EQUAL(sum3, 14014.0f);
+
+  float sum1 = std::accumulate(cpu1.data(), cpu1.data() + cpu1.size(), 0.0f);
+  BOOST_CHECK_EQUAL(sum1, 4950.0f);
+
+  MGrid6d g6(3, 4, 5, 2, 1, 10);
+  g6[2][2][2][0][0][5] = 3.14;
+  Grid6d cpu6 = (Grid6d)g6;
+  BOOST_CHECK_EQUAL(cpu6.size(), 1200u);
+  BOOST_CHECK_EQUAL(cpu6(2, 2, 2, 0, 0, 5), 3.14);
+
+  // GPU view is same memory on Apple Silicon.
+  Grid6dCUDA gpu6 = (Grid6dCUDA)g6;
+  BOOST_CHECK_EQUAL(gpu6(2, 2, 2, 0, 0, 5), 3.14);
+}
diff --git a/test/test_transform_mps.mm b/test/test_transform_mps.mm
new file mode 100644
index 00000000..9f6916fb
--- /dev/null
+++ b/test/test_transform_mps.mm
@@ -0,0 +1,78 @@
+/*
+ * test_transform_mps.mm
+ *
+ * Tests for Transform on Apple Silicon (replaces test_transform.cu).
+ * The GPU path now uses Metal; behaviour is identical to the CUDA version.
+ */
+
+#define BOOST_TEST_MODULE transform_mps_test
+#include <boost/test/unit_test.hpp>
+
+#include "libmolgrid/transform.h"
+#include "libmolgrid/managed_grid.h"
+#include "test_transform.h"
+
+using namespace libmolgrid;
+
+
+BOOST_AUTO_TEST_CASE(apply_transform)
+{
+  // Non-random transform
+  Quaternion q(sqrt(0.5f), 0, 0, sqrt(0.5f)); // 90-degree rotation around Z
+  Transform nr(q, make_float3(0,1,1), make_float3(2,0,-3));
+
+  // Random transform
+  Transform r(make_float3(0,1,1), 10.0f, true);
+
+  float coord_data[8][3] = {
+    {0,0,0}, {1,0,0}, {0,1,0}, {0,0,1},
+    {-1,.5f,3}, {1,1,1}, {0,1,1}, {.333f,.75f,-9}
+  };
+  float buffer[8][3] = {};
+
+  MGrid2f coords(8, 3);
+  for (unsigned i = 0; i < 8; i++)
+    for (unsigned j = 0; j < 3; j++)
+      coords[i][j] = coord_data[i][j];
+
+  MGrid2f coords2(8, 3);
+
+  // Apply non-random transform on GPU (Metal)
+  nr.forward(coords.gpu(), coords2.gpu());
+
+  float3 expected = make_float3(2,1,-2);
+  eqPt(coords2[6], expected); // at center
+
+  expected = make_float3(2,1,-3);
+  eqPt(coords2[2], expected); // on z-axis
+
+  expected = make_float3(2,2,-2);
+  eqPt(coords2[5], expected);
+
+  // Input should be unchanged
+  expected = make_float3(0.333f, .75f, -9);
+  eqPt(coords[7], expected);
+
+  // Random transform – GPU output should differ from input
+  r.forward(coords.gpu(), coords2.gpu());
+  for (unsigned i = 0; i < 8; i++)
+    neqPt(coords[i], coords2[i]);
+
+  // CPU calculation should match GPU on unified memory
+  Grid2f cpucoords(coords.cpu().data(), 8, 3);
+  Grid2f cpucoords2((float*)buffer, 8, 3);
+  r.forward(cpucoords, cpucoords2);
+  for (unsigned i = 0; i < 8; i++)
+    eqPt(cpucoords2[i], coords2[i]);
+
+  // Backward should recover original
+  r.backward(coords2.gpu(), coords2.gpu());
+  coords2.tocpu();
+
+  for (unsigned i = 0; i < 8; i++) {
+    std::cerr << "(" << coords[i][0]  << "," << coords[i][1]  << "," << coords[i][2]  << ")  ("
+              << coords2[i][0] << "," << coords2[i][1] << "," << coords2[i][2] << ")  ("
+              << cpucoords2[i][0] << "," << cpucoords2[i][1] << "," << cpucoords2[i][2] << ")\n";
+    eqPt(coords[i], coords2[i]);
+  }
+}

From fd6fcff7850738197cf6f1e0c4070c91fe0246da Mon Sep 17 00:00:00 2001
From: fnachon <florian@nachon.net>
Date: Tue, 31 Mar 2026 09:52:58 +0200
Subject: [PATCH 2/4] Update README.md

---
 README.md | 95 +++++++++++++++++--------------------------------------
 1 file changed, 29 insertions(+), 66 deletions(-)

diff --git a/README.md b/README.md
index 0a26f41f..ee305e69 100644
--- a/README.md
+++ b/README.md
@@ -1,9 +1,12 @@
-libmolgrid
-==========
-[![Github CI](https://github.com/gnina/libmolgrid/actions/workflows/CI.yml/badge.svg)](https://github.com/gnina/libmolgrid/actions)
-[![codecov](https://codecov.io/gh/gnina/libmolgrid/branch/master/graph/badge.svg?token=gUFisf34rf)](https://codecov.io/gh/gnina/libmolgrid)
+libmolgrid — macOS / Apple Silicon fork
+========================================
 
-libmolgrid is under active development, but should be suitable for use by early adopters.
+> **This is a macOS-only fork of libmolgrid** with GPU acceleration via
+> [Metal Performance Shaders (MPS)](https://developer.apple.com/documentation/metalperformanceshaders)
+> for Apple Silicon (M1/M2/M3/M4). The CUDA backend has been replaced by Metal.
+>
+> For Linux / CUDA support, and information, refer to the **original project**:
+> [https://gnina.github.io/libmolgrid/](https://gnina.github.io/libmolgrid/)
 
 If you use libmolgrid in your research, please cite:
 
@@ -22,48 +25,11 @@ If you use libmolgrid in your research, please cite:
 }
 ```
 
-## Documentation
+## Installation (macOS / Apple Silicon)
 
-[https://gnina.github.io/libmolgrid/](https://gnina.github.io/libmolgrid/)
+### Prerequisites
 
-## Installation
-
-### PIP
-
-```pip install molgrid```
-
-### conda
-```conda install -c gnina molgrid```
-
-### Build from Source (Linux / CUDA)
-
-```apt install git build-essential libboost-all-dev python3-pip rapidjson-dev
-pip3 install numpy pytest pyquaternion
-```
-
-[Install cmake 3.12 or higher.](https://cmake.org/install/)
-
-[Install CUDA.](https://developer.nvidia.com/cuda-downloads)
-
-[Install OpenBabel 3.0.](https://github.com/openbabel/openbabel)
-
-`apt install libeigen3-dev libboost-all-dev`
-
-```git clone https://github.com/gnina/libmolgrid.git
-cd libmolgrid
-mkdir build
-cd build
-cmake ..
-make -j8
-sudo make install
-```
-
-### Build from Source (macOS / Apple Silicon)
-
-libmolgrid supports Apple Silicon (M1/M2/M3/M4) via Metal Performance Shaders (MPS).
-GPU and CPU share unified memory, so no explicit host↔device copies are needed.
-
-**Prerequisites** (install via [Homebrew](https://brew.sh)):
+Install dependencies via [Homebrew](https://brew.sh):
 
 ```bash
 brew install cmake boost open-babel rapidjson eigen python
@@ -76,7 +42,7 @@ Xcode Command Line Tools are required for the Metal shader compiler (`metal`, `m
 xcode-select --install
 ```
 
-**Build:**
+### Build from Source
 
 ```bash
 git clone https://github.com/gnina/libmolgrid.git
@@ -87,11 +53,15 @@ make -j$(sysctl -n hw.logicalcpu)
 sudo make install
 ```
 
-The build system detects Apple Silicon automatically and compiles the Metal shaders
-(`src/metal/shaders.metal`) into a `.metallib` that is embedded in the library.
-No CUDA installation is required.
+The Metal shaders (`src/metal/shaders.metal`) are compiled automatically into a
+`.metallib` during the build. No CUDA installation is required.
 
-**Run tests** (must be run from the `build/bin/` directory so relative data paths resolve):
+On Apple Silicon, GPU and CPU share unified memory — no explicit host↔device
+copies occur at runtime.
+
+### Run Tests
+
+Tests must be run from the `build/bin/` directory so that relative data paths resolve correctly:
 
 ```bash
 cd build/bin
@@ -102,13 +72,10 @@ cd build/bin
 ./test_transform_mps_mm
 ```
 
-
-
-
 ## Example
-```
+
+```python
 import molgrid
-import pytest
 import numpy as np
 import torch
 import torch.nn as nn
@@ -154,36 +121,32 @@ def test_train_torch_cnn():
         if isinstance(m, nn.Conv3d) or isinstance(m, nn.Linear):
             init.xavier_uniform_(m.weight.data)
 
-    batch_size = 50
-    e = molgrid.ExampleProvider(data_root=datadir+"/structs",balanced=True,shuffle=True)
+    e = molgrid.ExampleProvider(data_root=datadir+"/structs", balanced=True, shuffle=True)
     e.populate(fname)
 
     gmaker = molgrid.GridMaker()
     dims = gmaker.grid_dimensions(e.num_types())
-    tensor_shape = (batch_size,)+dims
+    tensor_shape = (batch_size,) + dims
 
-    model = Net(dims).to('cuda')
+    model = Net(dims).to('mps')
     model.apply(weights_init)
 
     optimizer = optim.SGD(model.parameters(), lr=0.01, momentum=0.9)
 
-    input_tensor = torch.zeros(tensor_shape, dtype=torch.float32, device='cuda')
+    input_tensor = torch.zeros(tensor_shape, dtype=torch.float32, device='mps')
     float_labels = torch.zeros(batch_size, dtype=torch.float32)
 
     losses = []
     for iteration in range(100):
-        #load data
         batch = e.next_batch(batch_size)
-        gmaker.forward(batch, input_tensor, 0, random_rotation=False) #not rotating since convergence is faster this way
+        gmaker.forward(batch, input_tensor, 0, random_rotation=False)
         batch.extract_label(0, float_labels)
-        labels = float_labels.long().to('cuda')
+        labels = float_labels.long().to('mps')
 
         optimizer.zero_grad()
         output = model(input_tensor)
-        loss = F.cross_entropy(output,labels)
+        loss = F.cross_entropy(output, labels)
         loss.backward()
         optimizer.step()
         losses.append(float(loss))
-
 ```
-

From 8a22172062172510d16ec62cb644d51ff4db1169 Mon Sep 17 00:00:00 2001
From: fnachon <florian@nachon.net>
Date: Sun, 5 Apr 2026 17:06:47 +0200
Subject: [PATCH 3/4] Restore upstream CUDA compatibility alongside Metal

---
 CMakeLists.txt                         |  62 +++-
 README.md                              |  47 ++-
 cmake/Modules/FindOpenBabel3.cmake     |   4 +-
 cmake/config.h.in                      |  10 +-
 include/libmolgrid/common.h            |  95 +++---
 include/libmolgrid/grid.h              |  79 ++++-
 include/libmolgrid/grid_interpolater.h |  21 +-
 include/libmolgrid/grid_maker.h        |  26 +-
 include/libmolgrid/managed_grid.h      | 384 ++++++++++++++++++-------
 include/libmolgrid/quaternion.h        |  43 ++-
 python/CMakeLists.txt                  |   4 +-
 python/bindings.in.cpp                 |  10 +-
 python/bindings_grids.cpp              |   7 +-
 src/CMakeLists.txt                     | 120 +++++---
 src/example.cpp                        |  18 +-
 src/grid_interpolater.cpp              |   2 +
 src/grid_maker.cpp                     |   4 +
 test/CMakeLists.txt                    |  26 +-
 18 files changed, 711 insertions(+), 251 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 2b7f071c..93dd1572 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,5 +1,5 @@
 cmake_minimum_required (VERSION 3.18)
-project(LibMolGrid LANGUAGES C CXX OBJCXX)
+project(LibMolGrid LANGUAGES C CXX)
 
 #version number
 set (VERSION_MAJOR 0)
@@ -17,6 +17,8 @@ set(CMAKE_CXX_USE_RESPONSE_FILE_FOR_INCLUDES OFF)
 option(BUILD_SHARED "Build shared library" ON)
 option(BUILD_STATIC "Build static library" ON)
 option(BUILD_COVERAGE "Build with code coverage" OFF)
+option(LIBMOLGRID_ENABLE_CUDA "Build the upstream CUDA backend when available" ON)
+option(LIBMOLGRID_ENABLE_METAL "Build the Apple Metal backend when available" ${APPLE})
 
 if(${BUILD_CONTAINED_PYTHON})
   set(BUILD_STATIC ON)
@@ -27,17 +29,61 @@ list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/cmake/Modules;${PROJECT_SOU
 include(cmake/git_revision.cmake)
 include(cmake/safeguards.cmake)
 include(GNUInstallDirs)
+include(CheckLanguage)
 
 set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR})
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR})
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/${CMAKE_INSTALL_BINDIR})
 
 #dependencies
+set(LIBMOLGRID_USE_CUDA OFF)
+set(LIBMOLGRID_USE_METAL OFF)
+
+if(LIBMOLGRID_ENABLE_CUDA)
+  check_language(CUDA)
+  if(CMAKE_CUDA_COMPILER)
+    enable_language(CUDA)
+    find_package(CUDA QUIET)
+    if(CUDA_FOUND)
+      set(LIBMOLGRID_USE_CUDA ON)
+    elseif(NOT APPLE OR NOT LIBMOLGRID_ENABLE_METAL)
+      message(FATAL_ERROR "CUDA was enabled, but the CUDA toolkit was not found.")
+    else()
+      message(STATUS "CUDA toolkit not found. Falling back to the Metal backend.")
+    endif()
+  elseif(NOT APPLE OR NOT LIBMOLGRID_ENABLE_METAL)
+    message(FATAL_ERROR "CUDA was enabled, but no CUDA compiler was found.")
+  else()
+    message(STATUS "CUDA compiler not found. Falling back to the Metal backend.")
+  endif()
+endif()
+
+if(NOT LIBMOLGRID_USE_CUDA AND LIBMOLGRID_ENABLE_METAL)
+  if(NOT APPLE)
+    message(FATAL_ERROR "The Metal backend is only available on Apple platforms.")
+  endif()
+  enable_language(OBJCXX)
+  set(LIBMOLGRID_USE_METAL ON)
+endif()
+
+if(NOT LIBMOLGRID_USE_CUDA AND NOT LIBMOLGRID_USE_METAL)
+  message(FATAL_ERROR "No supported GPU backend is enabled. Enable CUDA or Metal.")
+endif()
+
 find_package(Boost REQUIRED COMPONENTS regex unit_test_framework program_options filesystem iostreams serialization)
 find_package(OpenBabel3 REQUIRED)
 include_directories(SYSTEM ${OPENBABEL3_INCLUDE_DIR})
 find_package(ZLIB)
 
+if(LIBMOLGRID_USE_CUDA)
+  include_directories(SYSTEM ${CUDA_INCLUDE_DIRS})
+endif()
+
+if(LIBMOLGRID_USE_METAL)
+  find_library(METAL_FRAMEWORK Metal REQUIRED)
+  find_library(FOUNDATION_FRAMEWORK Foundation REQUIRED)
+endif()
+
 # configure a header file to pass some of the CMake settings
 configure_file (
   "${PROJECT_SOURCE_DIR}/cmake/config.h.in"
@@ -45,7 +91,15 @@ configure_file (
   )
 
 set(CMAKE_CXX_STANDARD 17)
-set(CMAKE_OBJCXX_STANDARD 17)
+if(LIBMOLGRID_USE_CUDA)
+  set(CMAKE_CUDA_STANDARD 17)
+  set(CMAKE_CUDA_ARCHITECTURES "all-major")
+  set(CMAKE_CUDA_FLAGS_RELEASE "-O3 -g -lineinfo")
+  set(CMAKE_CUDA_FLAGS_DEBUG "-O0 -g -G")
+endif()
+if(LIBMOLGRID_USE_METAL)
+  set(CMAKE_OBJCXX_STANDARD 17)
+endif()
 
 if(CMAKE_CXX_COMPILER_ID MATCHES "GNU|Clang|AppleClang")
     # OpenBabel 3.1.1 uses std::binary_function which was removed in C++17.
@@ -65,10 +119,6 @@ include_directories(BEFORE ${CMAKE_SOURCE_DIR}/include)
 include_directories(${PROJECT_BINARY_DIR}/include)
 include_directories(SYSTEM ${Boost_INCLUDE_DIR})
 
-# Apple Silicon MPS requires these frameworks
-find_library(METAL_LIB   Metal   REQUIRED)
-find_library(FOUNDATION_LIB Foundation REQUIRED)
-
 add_subdirectory(src)
 add_subdirectory(python)
 add_subdirectory(docs)
diff --git a/README.md b/README.md
index ee305e69..5db3f9f7 100644
--- a/README.md
+++ b/README.md
@@ -1,11 +1,14 @@
-libmolgrid — macOS / Apple Silicon fork
-========================================
+libmolgrid fork with CUDA and Metal backends
+============================================
 
-> **This is a macOS-only fork of libmolgrid** with GPU acceleration via
-> [Metal Performance Shaders (MPS)](https://developer.apple.com/documentation/metalperformanceshaders)
-> for Apple Silicon (M1/M2/M3/M4). The CUDA backend has been replaced by Metal.
+> This fork keeps the upstream CUDA backend available and adds an Apple Silicon
+> Metal backend for macOS builds.
 >
-> For Linux / CUDA support, and information, refer to the **original project**:
+> Backend selection is handled at CMake configure time:
+> `CUDA` is used when enabled and available, otherwise Apple builds can fall
+> back to `Metal`.
+>
+> Upstream project information:
 > [https://gnina.github.io/libmolgrid/](https://gnina.github.io/libmolgrid/)
 
 If you use libmolgrid in your research, please cite:
@@ -25,7 +28,7 @@ If you use libmolgrid in your research, please cite:
 }
 ```
 
-## Installation (macOS / Apple Silicon)
+## Installation
 
 ### Prerequisites
 
@@ -36,7 +39,7 @@ brew install cmake boost open-babel rapidjson eigen python
 pip3 install numpy pytest pyquaternion
 ```
 
-Xcode Command Line Tools are required for the Metal shader compiler (`metal`, `metallib`):
+Xcode Command Line Tools are required when building the Metal backend (`metal`, `metallib`):
 
 ```bash
 xcode-select --install
@@ -53,8 +56,18 @@ make -j$(sysctl -n hw.logicalcpu)
 sudo make install
 ```
 
-The Metal shaders (`src/metal/shaders.metal`) are compiled automatically into a
-`.metallib` during the build. No CUDA installation is required.
+Useful backend switches:
+
+```bash
+# Force the upstream CUDA backend
+cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_METAL=OFF
+
+# Force the Apple Metal backend
+cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_CUDA=OFF
+```
+
+When the Metal backend is selected, the shaders in `src/metal/shaders.metal`
+are compiled automatically into a `.metallib`.
 
 On Apple Silicon, GPU and CPU share unified memory — no explicit host↔device
 copies occur at runtime.
@@ -66,10 +79,16 @@ Tests must be run from the `build/bin/` directory so that relative data paths re
 ```bash
 cd build/bin
 ./test_gridmaker_cpp
-./test_gridmaker_mps_mm
-./test_grid_mps_mm
-./test_mgrid_mps_mm
-./test_transform_mps_mm
+./test_gridmaker_mps_mm   # Metal backend
+./test_grid_mps_mm        # Metal backend
+./test_mgrid_mps_mm       # Metal backend
+./test_transform_mps_mm   # Metal backend
+
+# or, on CUDA builds
+./test_gridmaker_cu
+./test_grid_cu
+./test_mgrid_cu
+./test_transform_cu
 ```
 
 ## Example
diff --git a/cmake/Modules/FindOpenBabel3.cmake b/cmake/Modules/FindOpenBabel3.cmake
index 0aad16e1..8e3e9c52 100644
--- a/cmake/Modules/FindOpenBabel3.cmake
+++ b/cmake/Modules/FindOpenBabel3.cmake
@@ -36,6 +36,8 @@ else()
         /usr/local/openbabel/include
         /usr/local/openbabel3/include/openbabel3
         /usr/local/openbabel3/include
+        /opt/homebrew/include/openbabel3
+        /opt/homebrew/include
         ~/include/openbabel3
         ~/include
       )
@@ -57,6 +59,7 @@ else()
       $ENV{OPENBABEL_BASE}/lib
       /usr/lib
       /usr/local/lib
+      /opt/homebrew/lib
       ~/lib
       $ENV{LD_LIBRARY_PATH}
     )
@@ -72,4 +75,3 @@ message("Setting openbabel found ${OPENBABEL3_FOUND}")
 
   mark_as_advanced(OPENBABEL3_INCLUDE_DIR OPENBABEL3_LIBRARIES)
 endif()
-
diff --git a/cmake/config.h.in b/cmake/config.h.in
index 2a1b286d..373ee0ce 100644
--- a/cmake/config.h.in
+++ b/cmake/config.h.in
@@ -1,7 +1,15 @@
+#ifndef LIBMOLGRID_CONFIG_H_
+#define LIBMOLGRID_CONFIG_H_
+
 #define VERSION_MAJOR @VERSION_MAJOR@
 #define VERSION_MINOR @VERSION_MINOR@
 #define VERSION_PATCH @VERSION_PATCH@
 
+#cmakedefine01 LIBMOLGRID_USE_CUDA
+#cmakedefine01 LIBMOLGRID_USE_METAL
+
 namespace libmolgrid {
-    const char *GIT_REVISION = "@GIT_REVISION@";
+    inline const char *GIT_REVISION = "@GIT_REVISION@";
 }
+
+#endif /* LIBMOLGRID_CONFIG_H_ */
diff --git a/include/libmolgrid/common.h b/include/libmolgrid/common.h
index ad738576..8498ccc7 100644
--- a/include/libmolgrid/common.h
+++ b/include/libmolgrid/common.h
@@ -1,8 +1,7 @@
 /*
  * common.h
  *
- * Utility functions and definitions for Apple Silicon MPS backend.
- * Replaces the previous CUDA-based common.h.
+ * Utility functions and definitions.
  */
 
 #ifndef COMMON_H_
@@ -12,60 +11,74 @@
 #include <cstring>
 #include <stdexcept>
 #include <iostream>
-#include <cmath>
+#include <string>
+
+#include "libmolgrid/config.h"
 
-// ---- Vector types (replaces CUDA built-ins) ----
-// These match the CUDA naming convention so the rest of the code is unchanged.
+#if LIBMOLGRID_USE_CUDA
+#include <cuda_runtime_api.h>
+#include <cuda.h>
+#endif
 
-#ifndef __METAL_VERSION__
+#if LIBMOLGRID_USE_CUDA && defined(__CUDACC__)
+#define CUDA_CALLABLE_MEMBER __host__ __device__
+#define CUDA_DEVICE_MEMBER __device__
+#else
+#define CUDA_CALLABLE_MEMBER
+#define CUDA_DEVICE_MEMBER
+#endif
 
+#if !LIBMOLGRID_USE_CUDA
 struct float2 { float x, y; };
 struct float3 { float x, y, z; };
 struct float4 { float x, y, z, w; };
-struct int2   { int x, y; };
-struct int3   { int x, y, z; };
-struct uint2  { unsigned int x, y; };
-struct uint3  { unsigned int x, y, z; };
+struct int2 { int x, y; };
+struct int3 { int x, y, z; };
+struct uint2 { unsigned int x, y; };
+struct uint3 { unsigned int x, y, z; };
 struct double3 { double x, y, z; };
 
-inline float2  make_float2(float x, float y)                        { return {x, y}; }
-inline float3  make_float3(float x, float y, float z)               { return {x, y, z}; }
-inline float4  make_float4(float x, float y, float z, float w)      { return {x, y, z, w}; }
-inline int2    make_int2(int x, int y)                               { return {x, y}; }
-inline int3    make_int3(int x, int y, int z)                        { return {x, y, z}; }
-inline uint2   make_uint2(unsigned x, unsigned y)                    { return {x, y}; }
-inline uint3   make_uint3(unsigned x, unsigned y, unsigned z)        { return {x, y, z}; }
-inline double3 make_double3(double x, double y, double z)            { return {x, y, z}; }
+inline float2 make_float2(float x, float y) { return {x, y}; }
+inline float3 make_float3(float x, float y, float z) { return {x, y, z}; }
+inline float4 make_float4(float x, float y, float z, float w) { return {x, y, z, w}; }
+inline int2 make_int2(int x, int y) { return {x, y}; }
+inline int3 make_int3(int x, int y, int z) { return {x, y, z}; }
+inline uint2 make_uint2(unsigned x, unsigned y) { return {x, y}; }
+inline uint3 make_uint3(unsigned x, unsigned y, unsigned z) { return {x, y, z}; }
+inline double3 make_double3(double x, double y, double z) { return {x, y, z}; }
+#endif
 
-#endif // __METAL_VERSION__
-
-// ---- Callable member annotation (was __host__ __device__) ----
-// On Apple Silicon, all code runs on CPU or Metal GPU; no annotation needed.
-#define CUDA_CALLABLE_MEMBER
-#define CUDA_DEVICE_MEMBER
+#if LIBMOLGRID_USE_CUDA
+#define LMG_CUDA_KERNEL_LOOP(i, n) \
+  for (int i = blockIdx.x * blockDim.x + threadIdx.x; i < (n); i += blockDim.x * gridDim.x)
+#else
+#define LMG_CUDA_KERNEL_LOOP(i, n) \
+  for (int i = 0; i < static_cast<int>(n); i++)
+#endif
 
-// ---- Thread / block size constants (shared with Metal shaders via headers) ----
 #define LMG_CUDA_NUM_THREADS 512
-#define LMG_CUDA_BLOCKDIM    8
-#define LOG2_WARP_SIZE       5U
-#define WARP_SIZE            (1U << LOG2_WARP_SIZE)
+#define LMG_CUDA_BLOCKDIM 8
+#define LOG2_WARP_SIZE 5U
+#define WARP_SIZE (1U << LOG2_WARP_SIZE)
 
-// ---- Block/thread count helpers ----
-#define LMG_GET_BLOCKS(N)  ((unsigned(N) + LMG_CUDA_NUM_THREADS - 1) / LMG_CUDA_NUM_THREADS)
-#define LMG_GET_THREADS(N) (unsigned(N) < LMG_CUDA_NUM_THREADS ? unsigned(N) : LMG_CUDA_NUM_THREADS)
+#define LMG_GET_BLOCKS(N) ((unsigned(N) + LMG_CUDA_NUM_THREADS - 1) / LMG_CUDA_NUM_THREADS)
+#define LMG_GET_THREADS(N) ((unsigned(N) < LMG_CUDA_NUM_THREADS) ? unsigned(N) : LMG_CUDA_NUM_THREADS)
 
-// ---- Kernel loop macro (used in CPU fallback paths) ----
-// In Metal this pattern is handled by thread_position_in_grid.
-#define LMG_CUDA_KERNEL_LOOP(i, n) \
-  for (int i = 0; i < static_cast<int>(n); i++)
-
-// ---- Error check (was LMG_CUDA_CHECK) ----
-// Metal errors are handled via NSError in metal_context.mm.
-// This macro is kept as a no-op placeholder so call sites still compile.
+#if LIBMOLGRID_USE_CUDA && !defined(__CUDA_ARCH__)
+#define LMG_CUDA_CHECK(condition) \
+  do { \
+    cudaError_t error = condition; \
+    if(error != cudaSuccess) { \
+      std::cerr << __FILE__ << ":" << __LINE__ << ": " << cudaGetErrorString(error); \
+      throw std::runtime_error(std::string("CUDA Error: ") + cudaGetErrorString(error)); \
+    } \
+  } while (0)
+#elif LIBMOLGRID_USE_CUDA
+#define LMG_CUDA_CHECK(condition) condition
+#else
 #define LMG_CUDA_CHECK(condition) (condition)
+#endif
 
-// ---- itoa helper used in error messages ----
-#include <string>
 inline std::string itoa(size_t v) { return std::to_string(v); }
 
 #endif /* COMMON_H_ */
diff --git a/include/libmolgrid/grid.h b/include/libmolgrid/grid.h
index bb95b8b8..999fdfc6 100644
--- a/include/libmolgrid/grid.h
+++ b/include/libmolgrid/grid.h
@@ -22,6 +22,22 @@ namespace libmolgrid {
 
 template<typename Dt, std::size_t ND> class ManagedGrid; //predeclare
 
+#if LIBMOLGRID_USE_CUDA
+inline cudaMemcpyKind copyKind(bool srcCUDA, bool destCUDA) {
+  if (srcCUDA) {
+    if (destCUDA)
+      return cudaMemcpyDeviceToDevice;
+    else
+      return cudaMemcpyDeviceToHost;
+  } else {
+    if (destCUDA)
+      return cudaMemcpyHostToDevice;
+    else
+      return cudaMemcpyHostToHost;
+  }
+}
+#endif
+
 /**
  * \class Grid
  * A dense array of memory. The memory is owned and managed external to this
@@ -49,9 +65,13 @@ class Grid {
     }
 
     CUDA_CALLABLE_MEMBER void check_index(size_t i, size_t dim) const {
+#if LIBMOLGRID_USE_CUDA && defined(__CUDA_ARCH__)
+      assert(i < dim);
+#else
       if(i >= dim) {
         throw std::out_of_range("Invalid range. "+itoa(i) + " >= " + itoa(dim));
       }
+#endif
     }
 
   public:
@@ -164,14 +184,22 @@ class Grid {
 
     /** \brief copy contents to dest
      *
-     *  On Apple Silicon all memory is unified; memcpy is sufficient for
-     *  both host-to-host and host-to-device copies.
+     *  Sizes should be the same, but will narrow as necessary.  Will copy across device/host.
      */
     template<bool destCUDA>
     size_t copyTo(Grid<Dtype,NumDims,destCUDA>& dest) const {
       size_t sz = std::min(size(), dest.size());
       if(sz == 0) return 0;
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (isCUDA || destCUDA) {
+        cudaMemcpyKind kind = copyKind(isCUDA, destCUDA);
+        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), data(), sz * sizeof(Dtype), kind));
+      } else {
+        memcpy(dest.data(), data(), sz * sizeof(Dtype));
+      }
+#else
       memcpy(dest.data(), data(), sz * sizeof(Dtype));
+#endif
       return sz;
     }
 
@@ -180,13 +208,30 @@ class Grid {
     size_t copyFrom(const Grid<Dtype,NumDims,srcCUDA>& src) {
       size_t sz = std::min(size(), src.size());
       if(sz == 0) return 0;
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (srcCUDA || isCUDA) {
+        cudaMemcpyKind kind = copyKind(srcCUDA, isCUDA);
+        LMG_CUDA_CHECK(cudaMemcpy(data(), src.data(), sz * sizeof(Dtype), kind));
+      } else {
+        memcpy(data(), src.data(), sz * sizeof(Dtype));
+      }
+#else
       memcpy(data(), src.data(), sz * sizeof(Dtype));
+#endif
       return sz;
     }
 
     /** \brief Set contents to zero. */
     void fill_zero() {
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (isCUDA) {
+        LMG_CUDA_CHECK(cudaMemset(data(), 0, sizeof(Dtype) * size()));
+      } else {
+        memset(data(), 0, sizeof(Dtype) * size());
+      }
+#else
       memset(data(), 0, sizeof(Dtype) * size());
+#endif
     }
 
     // constructor used by operator[], create a subgrid, assuming memory is allocated
@@ -209,9 +254,13 @@ class Grid<Dtype,1,isCUDA> {
     size_t dims[1]; /// length of array
 
     CUDA_CALLABLE_MEMBER void check_index(size_t i, size_t dim) const {
+#if LIBMOLGRID_USE_CUDA && defined(__CUDA_ARCH__)
+      assert(i < dim);
+#else
       if(i >= dim) {
         throw std::out_of_range("Invalid range. "+ itoa(i) + " >= " + itoa(dim));
       }
+#endif
     }
   public:
     using type = Dtype;
@@ -263,7 +312,15 @@ class Grid<Dtype,1,isCUDA> {
     }
 
     void fill_zero() {
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (isCUDA) {
+        LMG_CUDA_CHECK(cudaMemset(data(), 0, sizeof(Dtype) * size()));
+      } else {
+        memset(data(), 0, sizeof(Dtype) * size());
+      }
+#else
       memset(data(), 0, sizeof(Dtype) * size());
+#endif
     }
 
     //only called from regular Grid
@@ -276,7 +333,16 @@ class Grid<Dtype,1,isCUDA> {
     size_t copyTo(Grid<Dtype,1,destCUDA>& dest) const {
       size_t sz = std::min(size(), dest.size());
       if(sz == 0) return sz;
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (isCUDA || destCUDA) {
+        cudaMemcpyKind kind = copyKind(isCUDA, destCUDA);
+        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), data(), sz * sizeof(Dtype), kind));
+      } else {
+        memcpy(dest.data(), data(), sz * sizeof(Dtype));
+      }
+#else
       memcpy(dest.data(), data(), sz * sizeof(Dtype));
+#endif
       return sz;
     }
 
@@ -284,7 +350,16 @@ class Grid<Dtype,1,isCUDA> {
     size_t copyFrom(const Grid<Dtype,1,srcCUDA>& src) {
       size_t sz = std::min(size(), src.size());
       if(sz == 0) return sz;
+#if LIBMOLGRID_USE_CUDA
+      if constexpr (srcCUDA || isCUDA) {
+        cudaMemcpyKind kind = copyKind(srcCUDA, isCUDA);
+        LMG_CUDA_CHECK(cudaMemcpy(data(), src.data(), sz * sizeof(Dtype), kind));
+      } else {
+        memcpy(data(), src.data(), sz * sizeof(Dtype));
+      }
+#else
       memcpy(data(), src.data(), sz * sizeof(Dtype));
+#endif
       return sz;
     }
 
diff --git a/include/libmolgrid/grid_interpolater.h b/include/libmolgrid/grid_interpolater.h
index da9ea876..4efe5cd5 100644
--- a/include/libmolgrid/grid_interpolater.h
+++ b/include/libmolgrid/grid_interpolater.h
@@ -1,8 +1,7 @@
 /*
  * grid_interpolater.h
  *
- * Ported from CUDA to Apple Silicon MPS (unified memory).
- * Texture-memory path removed (it was already disabled in the original).
+ * Grid interpolation helpers.
  */
 
 #ifndef INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_
@@ -40,6 +39,12 @@ class GridInterpolater {
     template <typename Dtype, bool isCUDA>
     void checkGrids(const Grid<Dtype, 4, isCUDA>& in, const Grid<Dtype, 4, isCUDA>& out) const;
 
+#if LIBMOLGRID_USE_CUDA
+    cudaTextureObject_t initializeTexture(const Grid<float, 3, true>& in) const;
+    void clearTexture();
+    mutable cudaArray_t cuArray = nullptr;
+#endif
+
   public:
 
     /** \brief Construct GridInterpolater
@@ -55,7 +60,11 @@ class GridInterpolater {
         out_dim = std::round(out_dimension / out_resolution) + 1;
     }
 
-    virtual ~GridInterpolater() {}
+    virtual ~GridInterpolater() {
+#if LIBMOLGRID_USE_CUDA
+      clearTexture();
+#endif
+    }
 
     ///return resolution of input grid in Angstroms
     CUDA_CALLABLE_MEMBER float get_in_resolution()  const { return in_resolution; }
@@ -66,6 +75,9 @@ class GridInterpolater {
     CUDA_CALLABLE_MEMBER void set_in_resolution(float res) {
       in_dim = std::round(in_dimension / in_resolution) + 1;
       in_resolution = res;
+#if LIBMOLGRID_USE_CUDA
+      clearTexture();
+#endif
     }
     ///set output resolution in Angstroms
     CUDA_CALLABLE_MEMBER void set_out_resolution(float res) { out_resolution = res; }
@@ -79,6 +91,9 @@ class GridInterpolater {
     CUDA_CALLABLE_MEMBER void set_in_dimension(float d) {
       in_dim = std::round(in_dimension / in_resolution) + 1;
       in_dimension = d;
+#if LIBMOLGRID_USE_CUDA
+      clearTexture();
+#endif
     }
     ///set output dimension in Angstroms
     CUDA_CALLABLE_MEMBER void set_out_dimension(float d) { out_dimension = d; }
diff --git a/include/libmolgrid/grid_maker.h b/include/libmolgrid/grid_maker.h
index 9138e7ca..55b39d16 100644
--- a/include/libmolgrid/grid_maker.h
+++ b/include/libmolgrid/grid_maker.h
@@ -286,7 +286,14 @@ class GridMaker {
       float3 center = { 0, };
 
       for(unsigned i = 0; i < B; i++) {
+#if LIBMOLGRID_USE_CUDA
+        if constexpr (isCUDA)
+          LMG_CUDA_CHECK(cudaMemcpy(&center, centers[i].data(), sizeof(center), cudaMemcpyDeviceToHost));
+        else
+          memcpy(&center, centers[i].data(), sizeof(center));
+#else
         memcpy(&center, centers[i].data(), sizeof(center));
+#endif
 
         //convert from subgrids to full grids
         Grid<float, 2, isCUDA> C = coords[i];
@@ -695,8 +702,23 @@ class GridMaker {
     CUDA_CALLABLE_MEMBER void accumulate_atom_gradient(float ax, float ay, float az,
             float x, float y, float z, float radius, float gridval, float3& agrad) const;
 
-    // Metal GPU kernels are free functions dispatched through MetalContext;
-    // no friend declarations needed (they access GridMaker via passed params).
+#if LIBMOLGRID_USE_CUDA
+    template<typename Dtype> __global__ friend
+    void set_atom_gradients(GridMaker G, float3 grid_center, Grid2fCUDA coords, Grid1fCUDA type_index,
+        Grid1fCUDA radii, Grid<Dtype, 4, true> grid, Grid<Dtype, 2, true> atom_gradients);
+    template<typename Dtype, bool RadiiFromTypes> __global__ friend
+    void set_atom_type_gradients(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector,
+        unsigned ntypes, Grid1fCUDA radii, Grid<Dtype, 4, true> grid, Grid<Dtype, 2, true> atom_gradients,
+        Grid<Dtype, 2, true> type_gradients);
+    template<typename Dtype, bool RadiiFromTypes> __global__ friend
+    void set_atom_type_grad_grad(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector,
+        unsigned ntypes, Grid1fCUDA radii, Grid<Dtype, 4, true> diff, Grid<Dtype, 2, true> atom_gradients,
+        Grid<Dtype, 2, true> type_gradients, Grid<Dtype, 4, true> diffdiff, Grid<Dtype, 2, true> atom_diffdiff,
+        Grid<Dtype, 2, true> type_diffdiff);
+    template<typename Dtype> __global__ friend
+    void set_atom_relevance(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid1fCUDA type_index,
+        Grid1fCUDA radii, Grid<Dtype, 4, true> densitygrid, Grid<Dtype, 4, true> diffgrid, Grid<Dtype, 1, true> relevance);
+#endif
 };
 
 } /* namespace libmolgrid */
diff --git a/include/libmolgrid/managed_grid.h b/include/libmolgrid/managed_grid.h
index c12a730a..b8ccc794 100644
--- a/include/libmolgrid/managed_grid.h
+++ b/include/libmolgrid/managed_grid.h
@@ -1,21 +1,12 @@
 /** \file managed_grid.h
  *
  * A grid that manages its own memory using a shared pointer.
- * Ported to Apple Silicon MPS (unified memory).
- *
- * On Apple Silicon the CPU and GPU share the same physical memory pool, so
- * there is no need for explicit host↔device copies.  The buffer is allocated
- * once with malloc() and remains accessible from both CPU and Metal GPU
- * kernels throughout its lifetime.
- *
- * The togpu() / tocpu() methods still exist (API compatibility) but they no
- * longer copy data; they simply record which side is "active" so that the
- * MetalContext can insert the appropriate synchronization barriers.
  */
 
 #ifndef MANAGED_GRID_H_
 #define MANAGED_GRID_H_
 
+#include <cstdlib>
 #include <memory>
 #include <utility>
 #include <boost/lexical_cast.hpp>
@@ -29,6 +20,9 @@ namespace libmolgrid
   template <typename Dtype>
   struct mgrid_buffer_data
   {
+#if LIBMOLGRID_USE_CUDA
+    Dtype *gpu_ptr;
+#endif
     bool sent_to_gpu;
   };
 
@@ -43,7 +37,6 @@ namespace libmolgrid
     static constexpr size_t N = NumDims;
 
   protected:
-    // On unified memory both views point at the same allocation.
     mutable gpu_grid_t gpu_grid;
     cpu_grid_t cpu_grid;
     std::shared_ptr<Dtype> cpu_ptr;
@@ -52,45 +45,64 @@ namespace libmolgrid
     using buffer_data = mgrid_buffer_data<Dtype>;
     mutable buffer_data *gpu_info = nullptr;
 
-    /// empty (unusable) grid
     ManagedGridBase() = default;
 
-    // Allocate unified memory and set up cpu/gpu grid views.
-    // The data is page-aligned (16 KB) so Metal's newBufferWithBytesNoCopy works correctly.
-    // The buffer_data header is allocated separately.
-    void alloc_and_set_cpu(size_t sz)
+    static void delete_buffer(void *ptr)
     {
-      // Allocate the metadata header.
-      gpu_info = new buffer_data;
-      gpu_info->sent_to_gpu = false;
-
-      if (sz == 0) {
-        buffer_data *info = gpu_info;
-        cpu_ptr = std::shared_ptr<Dtype>(nullptr, [info](Dtype*) { delete info; });
-        cpu_grid.set_buffer(nullptr);
-        gpu_grid.set_buffer(nullptr);
-        return;
+#if LIBMOLGRID_USE_CUDA
+      buffer_data *data = (buffer_data *)(ptr)-1;
+      if (data->gpu_ptr != nullptr)
+      {
+        cudaFree(data->gpu_ptr);
       }
+      free(data);
+#else
+      free(ptr);
+#endif
+    }
 
-      // Allocate data with 16 KB page alignment for Metal zero-copy compatibility.
-      void *data = nullptr;
-      const size_t align = 16384;  // Apple Silicon page size
-      if (posix_memalign(&data, align, sz * sizeof(Dtype)) != 0 || !data) {
-        delete gpu_info;
-        gpu_info = nullptr;
-        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) +
-                                 " bytes of page-aligned CPU memory in ManagedGrid");
-      }
+    void alloc_and_set_cpu(size_t sz)
+    {
+#if LIBMOLGRID_USE_CUDA
+      void *buffer = malloc(sizeof(buffer_data) + sz * sizeof(Dtype));
+      Dtype *cpu_data = (Dtype *)((buffer_data *)buffer + 1);
 
-      buffer_data *info = gpu_info;
-      cpu_ptr = std::shared_ptr<Dtype>((Dtype*)data, [info](Dtype* p) {
-        free(p);
-        delete info;
-      });
+      if (!buffer)
+        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) + " bytes of CPU memory in ManagedGrid");
+      cpu_ptr = std::shared_ptr<Dtype>(cpu_data, delete_buffer);
+      cpu_grid.set_buffer(cpu_ptr.get());
+      gpu_info = (buffer_data *)buffer;
+      gpu_info->gpu_ptr = nullptr;
+      gpu_info->sent_to_gpu = false;
+#else
+      const size_t align = 16384;
+      const size_t bytes = sizeof(buffer_data) + sz * sizeof(Dtype);
+      void *buffer = nullptr;
+      if (posix_memalign(&buffer, align, bytes) != 0 || !buffer)
+        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) + " bytes of CPU memory in ManagedGrid");
+      gpu_info = static_cast<buffer_data *>(buffer);
+      gpu_info->sent_to_gpu = false;
+      Dtype *cpu_data = reinterpret_cast<Dtype *>(gpu_info + 1);
+      cpu_ptr = std::shared_ptr<Dtype>(cpu_data, [buffer](Dtype *) { ManagedGridBase<Dtype, NumDims>::delete_buffer(buffer); });
       cpu_grid.set_buffer(cpu_ptr.get());
-      // GPU grid points at the same allocation (unified memory).
       gpu_grid.set_buffer(cpu_ptr.get());
+#endif
+    }
+
+#if LIBMOLGRID_USE_CUDA
+    void alloc_and_set_gpu(size_t sz) const
+    {
+      if (gpu_info == nullptr)
+        throw std::runtime_error("Attempt to allocate gpu memory in empty ManagedGrid");
+      if (gpu_info->gpu_ptr != nullptr)
+        throw std::runtime_error("Attempt to reallocate gpu memory in ManagedGrid");
+      cudaError_t err = cudaMalloc(&gpu_info->gpu_ptr, sz * sizeof(Dtype));
+      cudaGetLastError();
+      if (err != cudaSuccess)
+        throw std::runtime_error("Could not allocate " + itoa(sz * sizeof(Dtype)) + " bytes of GPU memory in ManagedGrid");
+      gpu_grid.set_buffer(gpu_info->gpu_ptr);
     }
+#endif
 
     template <typename... I, typename = typename std::enable_if<sizeof...(I) == NumDims>::type>
     ManagedGridBase(I... sizes) : gpu_grid(nullptr, sizes...), cpu_grid(nullptr, sizes...)
@@ -109,17 +121,24 @@ namespace libmolgrid
       gpu_info->sent_to_gpu = false;
     }
 
-    // helper for clone: duplicate memory
     void clone_ptrs()
     {
       if (capacity == 0)
         return;
 
       std::shared_ptr<Dtype> old = cpu_ptr;
-      buffer_data old_info = *gpu_info;
+      buffer_data oldgpu = *gpu_info;
       alloc_and_set_cpu(capacity);
       memcpy(cpu_ptr.get(), old.get(), sizeof(Dtype) * capacity);
-      gpu_info->sent_to_gpu = old_info.sent_to_gpu;
+      gpu_info->sent_to_gpu = oldgpu.sent_to_gpu;
+
+#if LIBMOLGRID_USE_CUDA
+      if (oldgpu.gpu_ptr && oldgpu.sent_to_gpu)
+      {
+        alloc_and_set_gpu(capacity);
+        LMG_CUDA_CHECK(cudaMemcpy(gpu_info->gpu_ptr, oldgpu.gpu_ptr, sizeof(Dtype) * capacity, cudaMemcpyDeviceToDevice));
+      }
+#endif
     }
 
   public:
@@ -133,74 +152,134 @@ namespace libmolgrid
 
     inline void fill_zero()
     {
-      memset(cpu_ptr.get(), 0, capacity * sizeof(Dtype));
+      if (ongpu())
+        gpu_grid.fill_zero();
+      else
+        cpu_grid.fill_zero();
     }
 
     template <typename... I>
     inline Dtype &operator()(I... indices)
     {
+      tocpu();
       return cpu_grid(indices...);
     }
 
     template <typename... I>
     inline Dtype operator()(I... indices) const
     {
+      tocpu();
       return cpu_grid(indices...);
     }
 
-    /** \brief Copy data into dest. */
     size_t copyTo(cpu_grid_t &dest) const
     {
       size_t sz = std::min(size(), dest.size());
-      if (sz == 0) return 0;
-      memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
+      if (sz == 0)
+        return 0;
+      if (ongpu())
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
+#else
+        if (dest.data() != gpu_grid.data())
+          memcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype));
+#endif
+      }
+      else
+      {
+        if (dest.data() != cpu_grid.data())
+          memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
+      }
       return sz;
     }
 
     size_t copyTo(gpu_grid_t &dest) const
     {
       size_t sz = std::min(size(), dest.size());
-      if (sz == 0) return 0;
-      // Unified memory: same buffer, just memcpy the pointer region if different.
-      if (dest.data() != cpu_grid.data())
-        memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
+      if (sz == 0)
+        return 0;
+      if (ongpu())
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
+#else
+        if (dest.data() != gpu_grid.data())
+          memcpy(dest.data(), gpu_grid.data(), sz * sizeof(Dtype));
+#endif
+      }
+      else
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
+#else
+        if (dest.data() != cpu_grid.data())
+          memcpy(dest.data(), cpu_grid.data(), sz * sizeof(Dtype));
+#endif
+      }
       return sz;
     }
 
     size_t copyTo(ManagedGridBase<Dtype, NumDims> &dest) const
     {
-      size_t sz = std::min(size(), dest.size());
-      if (sz == 0) return 0;
-      if (dest.cpu_ptr.get() != cpu_ptr.get())
-        memcpy(dest.cpu_ptr.get(), cpu_ptr.get(), sz * sizeof(Dtype));
-      return sz;
+      if (dest.ongpu())
+        return copyTo(dest.gpu_grid);
+      return copyTo(dest.cpu_grid);
     }
 
-    /** \brief Copy data from src. */
     size_t copyFrom(const cpu_grid_t &src)
     {
       size_t sz = std::min(size(), src.size());
-      if (sz == 0) return 0;
-      memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
+      if (sz == 0)
+        return 0;
+      if (ongpu())
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
+#else
+        if (gpu_grid.data() != src.data())
+          memcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype));
+#endif
+      }
+      else
+      {
+        if (cpu_grid.data() != src.data())
+          memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
+      }
       return sz;
     }
 
     size_t copyFrom(const gpu_grid_t &src)
     {
       size_t sz = std::min(size(), src.size());
-      if (sz == 0) return 0;
-      if (src.data() != cpu_grid.data())
-        memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
+      if (sz == 0)
+        return 0;
+      if (ongpu())
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
+#else
+        if (gpu_grid.data() != src.data())
+          memcpy(gpu_grid.data(), src.data(), sz * sizeof(Dtype));
+#endif
+      }
+      else
+      {
+#if LIBMOLGRID_USE_CUDA
+        LMG_CUDA_CHECK(cudaMemcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
+#else
+        if (cpu_grid.data() != src.data())
+          memcpy(cpu_grid.data(), src.data(), sz * sizeof(Dtype));
+#endif
+      }
       return sz;
     }
 
     size_t copyFrom(const ManagedGridBase<Dtype, NumDims> &src)
     {
-      size_t sz = std::min(size(), src.size());
-      if (sz == 0) return 0;
-      if (src.cpu_ptr.get() != cpu_ptr.get())
-        memcpy(cpu_ptr.get(), src.cpu_ptr.get(), sz * sizeof(Dtype));
-      return sz;
+      if (src.ongpu())
+        return copyFrom(src.gpu_grid);
+      return copyFrom(src.cpu_grid);
     }
 
     size_t copyInto(size_t start, const ManagedGridBase<Dtype, NumDims> &src)
@@ -208,8 +287,46 @@ namespace libmolgrid
       size_t off = offset(0) * start;
       size_t sz = size() - off;
       sz = std::min(sz, src.size());
-      if (sz == 0) return 0;
-      memcpy(cpu_ptr.get() + off, src.cpu_ptr.get(), sz * sizeof(Dtype));
+      if (sz == 0)
+        return 0;
+      if (src.ongpu())
+      {
+        if (ongpu())
+        {
+#if LIBMOLGRID_USE_CUDA
+          LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToDevice));
+#else
+          if (gpu_grid.data() + off != src.gpu_grid.data())
+            memcpy(gpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype));
+#endif
+        }
+        else
+        {
+#if LIBMOLGRID_USE_CUDA
+          LMG_CUDA_CHECK(cudaMemcpy(cpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype), cudaMemcpyDeviceToHost));
+#else
+          if (cpu_grid.data() + off != src.gpu_grid.data())
+            memcpy(cpu_grid.data() + off, src.gpu_grid.data(), sz * sizeof(Dtype));
+#endif
+        }
+      }
+      else
+      {
+        if (ongpu())
+        {
+#if LIBMOLGRID_USE_CUDA
+          LMG_CUDA_CHECK(cudaMemcpy(gpu_grid.data() + off, src.data(), sz * sizeof(Dtype), cudaMemcpyHostToDevice));
+#else
+          if (gpu_grid.data() + off != src.data())
+            memcpy(gpu_grid.data() + off, src.data(), sz * sizeof(Dtype));
+#endif
+        }
+        else
+        {
+          if (cpu_grid.data() + off != src.data())
+            memcpy(cpu_grid.data() + off, src.data(), sz * sizeof(Dtype));
+        }
+      }
       return sz;
     }
 
@@ -223,7 +340,12 @@ namespace libmolgrid
         tmp.cpu_ptr = cpu_ptr;
         tmp.gpu_info = gpu_info;
         tmp.cpu_grid = cpu_grid_t(cpu_ptr.get(), sizes...);
+#if LIBMOLGRID_USE_CUDA
+        if (gpu_info)
+          tmp.gpu_grid = gpu_grid_t(gpu_info->gpu_ptr, sizes...);
+#else
         tmp.gpu_grid = gpu_grid_t(cpu_ptr.get(), sizes...);
+#endif
         tmp.capacity = capacity;
         return tmp;
       }
@@ -231,48 +353,99 @@ namespace libmolgrid
       {
         ManagedGrid<Dtype, NumDims> tmp(sizes...);
         if (size() > 0 && tmp.size() > 0)
+        {
+          if (ongpu())
+            tmp.togpu();
           copyTo(tmp);
+        }
         return tmp;
       }
     }
 
-    // ---- GPU / CPU view accessors ----
-    // On Apple Silicon unified memory: both views point at the same buffer.
-
-    const gpu_grid_t &gpu() const { togpu(); return gpu_grid; }
-    gpu_grid_t &gpu()             { togpu(); return gpu_grid; }
+    const gpu_grid_t &gpu() const
+    {
+      togpu();
+      return gpu_grid;
+    }
+    gpu_grid_t &gpu()
+    {
+      togpu();
+      return gpu_grid;
+    }
 
-    const cpu_grid_t &cpu() const { tocpu(); return cpu_grid; }
-    cpu_grid_t &cpu()             { tocpu(); return cpu_grid; }
+    const cpu_grid_t &cpu() const
+    {
+      tocpu();
+      return cpu_grid;
+    }
+    cpu_grid_t &cpu()
+    {
+      tocpu();
+      return cpu_grid;
+    }
 
-    /** \brief Mark memory as "on GPU". No data copy on unified memory. */
-    void togpu(bool /*dotransfer*/ = true) const
+    void togpu(bool dotransfer = true) const
     {
-      if (capacity == 0) return;
-      // Ensure both views point at the shared buffer.
+      if (capacity == 0)
+        return;
       if (gpu_grid.data() == nullptr)
-        gpu_grid.set_buffer(cpu_ptr.get());
+      {
+#if LIBMOLGRID_USE_CUDA
+        if (gpu_info->gpu_ptr == nullptr)
+        {
+          alloc_and_set_gpu(capacity);
+        }
+        size_t offset = cpu_grid.data() - cpu_ptr.get();
+        gpu_grid.set_buffer(gpu_info->gpu_ptr + offset);
+#else
+        size_t offset = cpu_grid.data() - cpu_ptr.get();
+        gpu_grid.set_buffer(cpu_ptr.get() + offset);
+#endif
+      }
+#if LIBMOLGRID_USE_CUDA
+      if (oncpu() && dotransfer)
+      {
+        LMG_CUDA_CHECK(cudaMemcpy(gpu_info->gpu_ptr, cpu_ptr.get(), capacity * sizeof(Dtype), cudaMemcpyHostToDevice));
+      }
+#else
+      (void)dotransfer;
+#endif
       if (gpu_info)
         gpu_info->sent_to_gpu = true;
     }
 
-    /** \brief Mark memory as "on CPU". No data copy on unified memory. */
-    void tocpu(bool /*dotransfer*/ = true) const
+    void tocpu(bool dotransfer = true) const
     {
+#if LIBMOLGRID_USE_CUDA
+      if (ongpu() && capacity > 0 && dotransfer)
+      {
+        LMG_CUDA_CHECK(cudaMemcpy(cpu_ptr.get(), gpu_info->gpu_ptr, capacity * sizeof(Dtype), cudaMemcpyDeviceToHost));
+      }
+#else
+      (void)dotransfer;
+#endif
       if (gpu_info)
         gpu_info->sent_to_gpu = false;
     }
 
-    bool ongpu() const { return gpu_info && gpu_info->sent_to_gpu; }
+    bool ongpu() const
+    {
+      bool ret = gpu_info && gpu_info->sent_to_gpu;
+      if (ret && gpu_grid.data() == nullptr)
+        togpu(false);
+      return ret;
+    }
+
     bool oncpu() const { return gpu_info == nullptr || !gpu_info->sent_to_gpu; }
 
     operator cpu_grid_t() const { return cpu(); }
-    operator cpu_grid_t &()     { return cpu(); }
+    operator cpu_grid_t &() { return cpu(); }
+
     operator gpu_grid_t() const { return gpu(); }
-    operator gpu_grid_t &()     { return gpu(); }
+    operator gpu_grid_t &() { return gpu(); }
 
     inline const Dtype *data() const { return cpu_ptr.get(); }
-    inline Dtype *data()             { return cpu_ptr.get(); }
+    inline Dtype *data() { return cpu_ptr.get(); }
 
     bool operator==(const ManagedGridBase<Dtype, NumDims> &rhs) const
     {
@@ -319,6 +492,7 @@ namespace libmolgrid
     template <class Archive>
     void save(Archive &ar, const unsigned int version) const
     {
+      this->tocpu();
       for (size_t i = 0; i < NumDims; i++)
         ar << this->dimension(i);
       ar << boost::serialization::make_array(this->data(), this->size());
@@ -339,11 +513,9 @@ namespace libmolgrid
 
   protected:
     friend ManagedGrid<Dtype, NumDims + 1>;
-    explicit ManagedGrid<Dtype, NumDims>(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i)
-        : ManagedGridBase<Dtype, NumDims>(G, i) {}
+    explicit ManagedGrid<Dtype, NumDims>(const ManagedGridBase<Dtype, NumDims + 1> &G, size_t i) : ManagedGridBase<Dtype, NumDims>(G, i) {}
   };
 
-  // Specialization for 1-D grids.
   template <typename Dtype>
   class ManagedGrid<Dtype, 1> : public ManagedGridBase<Dtype, 1>
   {
@@ -354,11 +526,29 @@ namespace libmolgrid
     ManagedGrid() = default;
     ManagedGrid(size_t sz) : ManagedGridBase<Dtype, 1>(sz) {}
 
-    inline Dtype &operator[](size_t i)       { return this->cpu_grid[i]; }
-    inline Dtype  operator[](size_t i) const { return this->cpu_grid[i]; }
+    inline Dtype &operator[](size_t i)
+    {
+      this->tocpu();
+      return this->cpu_grid[i];
+    }
+
+    inline Dtype operator[](size_t i) const
+    {
+      this->tocpu();
+      return this->cpu_grid[i];
+    }
 
-    inline Dtype &operator()(size_t a)       { return this->cpu_grid(a); }
-    inline Dtype  operator()(size_t a) const { return this->cpu_grid(a); }
+    inline Dtype &operator()(size_t a)
+    {
+      this->tocpu();
+      return this->cpu_grid(a);
+    }
+
+    inline Dtype operator()(size_t a) const
+    {
+      this->tocpu();
+      return this->cpu_grid(a);
+    }
 
     ManagedGrid<Dtype, 1> clone() const
     {
@@ -370,6 +560,7 @@ namespace libmolgrid
     template <class Archive>
     void save(Archive &ar, const unsigned int version) const
     {
+      this->tocpu();
       ar << this->dimension(0);
       ar << boost::serialization::make_array(this->data(), this->size());
     }
@@ -388,8 +579,7 @@ namespace libmolgrid
 
   protected:
     friend ManagedGrid<Dtype, 2>;
-    explicit ManagedGrid<Dtype, 1>(const ManagedGridBase<Dtype, 2> &G, size_t i)
-        : ManagedGridBase<Dtype, 1>(G, i) {}
+    explicit ManagedGrid<Dtype, 1>(const ManagedGridBase<Dtype, 2> &G, size_t i) : ManagedGridBase<Dtype, 1>(G, i) {}
   };
 
 #define EXPAND_MGRID_DEFINITIONS(Z, SIZE, _)       \
diff --git a/include/libmolgrid/quaternion.h b/include/libmolgrid/quaternion.h
index 74ef710f..9363b280 100644
--- a/include/libmolgrid/quaternion.h
+++ b/include/libmolgrid/quaternion.h
@@ -23,37 +23,37 @@ class Quaternion {
     fl d;
 
   public:
-     Quaternion()
+    CUDA_CALLABLE_MEMBER Quaternion()
         : a(1), b(0), c(0), d(0) {
     }
 
     /// Construct quaternion with real then unreal components
-     Quaternion(fl A, fl B, fl C, fl D)
+    CUDA_CALLABLE_MEMBER Quaternion(fl A, fl B, fl C, fl D)
         : a(A), b(B), c(C), d(D) {
     }
 
     /// Return the real or scalar part.
-     inline fl R_component_1() const {
+    CUDA_CALLABLE_MEMBER inline fl R_component_1() const {
       return a;
     }
 
     /// Return unreal[0]
-     inline fl R_component_2() const {
+    CUDA_CALLABLE_MEMBER inline fl R_component_2() const {
       return b;
     }
 
     /// Return unreal[1]
-     inline fl R_component_3() const {
+    CUDA_CALLABLE_MEMBER inline fl R_component_3() const {
       return c;
     }
 
     /// Return unreal[2]
-     inline fl R_component_4() const {
+    CUDA_CALLABLE_MEMBER inline fl R_component_4() const {
       return d;
     }
 
     /// In-place multiplication by scalar (element-wise)
-     Quaternion& operator *=(const fl &r) {
+    CUDA_CALLABLE_MEMBER Quaternion& operator *=(const fl &r) {
       a *= r;
       b *= r;
       c *= r;
@@ -62,7 +62,7 @@ class Quaternion {
     }
 
     /// In-place division by scalar (element-wise)
-     Quaternion& operator /=(const fl &r) {
+    CUDA_CALLABLE_MEMBER Quaternion& operator /=(const fl &r) {
       a /= r;
       b /= r;
       c /= r;
@@ -71,13 +71,12 @@ class Quaternion {
     }
 
     /// Division by scalar (element-wise)
-     Quaternion operator/(const fl &r) {
+    CUDA_CALLABLE_MEMBER Quaternion operator/(const fl &r) {
       return Quaternion(a/r,b/r,c/r,d/r);
     }
 
     /// Quaternion multiplication
-    
-     inline Quaternion operator*(const Quaternion& r) const {
+    CUDA_CALLABLE_MEMBER inline Quaternion operator*(const Quaternion& r) const {
       const fl ar = r.R_component_1();
       const fl br = r.R_component_2();
       const fl cr = r.R_component_3();
@@ -89,19 +88,18 @@ class Quaternion {
     }
 
     /// Quaternion in-place multiplication
-     Quaternion& operator*=(const Quaternion& r) {
+    CUDA_CALLABLE_MEMBER Quaternion& operator*=(const Quaternion& r) {
       *this = *this * r;
       return *this;
     }
 
     ///check bit level equality
-     bool operator==(const Quaternion& r) const {
+    CUDA_CALLABLE_MEMBER bool operator==(const Quaternion& r) const {
       return a == r.a && b == r.b && c == r.c && d == r.d;
     }
 
     /// Quaternion divison
-    
-    inline Quaternion operator/(const Quaternion& r) {
+    CUDA_CALLABLE_MEMBER inline Quaternion operator/(const Quaternion& r) {
       const fl ar = r.R_component_1();
       const fl br = r.R_component_2();
       const fl cr = r.R_component_3();
@@ -118,36 +116,35 @@ class Quaternion {
     }
 
     /// Quaternion in-place divison
-     Quaternion operator/=(const Quaternion &r) {
+    CUDA_CALLABLE_MEMBER Quaternion operator/=(const Quaternion &r) {
       *this = *this / r;
       return *this;
     }
 
     /// Conjugate
-     inline Quaternion conj() const {
+    CUDA_CALLABLE_MEMBER inline Quaternion conj() const {
       return Quaternion(+a, -b, -c,-d);
     }
 
-    
+    CUDA_CALLABLE_MEMBER
     float real() const {
       return R_component_1();
     }
 
     /// The Cayley norm - the square of the Euclidean norm
-    
-    inline float norm() const {
+    CUDA_CALLABLE_MEMBER inline float norm() const {
       return a*a+b*b+c*c+d*d;
     }
 
     /// Rotation point (x,y,z) using this quaternion.
-    float3 rotate(fl x, fl y, fl z) const {
+    CUDA_CALLABLE_MEMBER float3 rotate(fl x, fl y, fl z) const {
       Quaternion p(0, x, y, z);
       p = *this * p * (conj() / norm());
       return make_float3(p.R_component_2(), p.R_component_3(), p.R_component_4());
     }
 
     /// Rotate around the provided center and translate
-     inline float3 transform(fl x, fl y, fl z, float3 center, float3 translate) const {
+    CUDA_CALLABLE_MEMBER inline float3 transform(fl x, fl y, fl z, float3 center, float3 translate) const {
       float3 pt = rotate(x - center.x, y - center.y, z - center.z);
       x = pt.x + center.x + translate.x;
       y = pt.y + center.y + translate.y;
@@ -158,7 +155,7 @@ class Quaternion {
 
 
     /// Return inverse
-     Quaternion inverse() const {
+    CUDA_CALLABLE_MEMBER Quaternion inverse() const {
       fl nsq = a * a + b * b + c * c + d * d;
       return Quaternion(a / nsq, -b / nsq, -c / nsq, -d / nsq);
     }
diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt
index d0fe2b87..b7983040 100644
--- a/python/CMakeLists.txt
+++ b/python/CMakeLists.txt
@@ -55,13 +55,13 @@ if(BUILD_CONTAINED_PYTHON)
   add_link_options("LINKER:--exclude-libs,ALL")  # avoid exporting stdc++ symbols
   add_library(molgrid SHARED ${PYMOLGRID_SOURCES})
   target_link_libraries(molgrid ${Boost_LIBRARIES} ${PYTHON_LIBRARY}
-      libmolgrid_static "-framework Metal" "-framework Foundation"
+      ${CUDA_LIBRARIES} ${METAL_FRAMEWORK} ${FOUNDATION_FRAMEWORK} libmolgrid_static
       -static-libstdc++ -static-libgcc)
 else()
 # create the lib
   add_library(molgrid SHARED ${PYMOLGRID_SOURCES})
   target_link_libraries(molgrid ${Boost_LIBRARIES} ${PYTHON_LIBRARY}
-      libmolgrid_shared "-framework Metal" "-framework Foundation")
+      ${CUDA_LIBRARIES} ${METAL_FRAMEWORK} ${FOUNDATION_FRAMEWORK} libmolgrid_shared)
 endif()
 
 # Suppress prefix "lib" because Python does not allow this prefix
diff --git a/python/bindings.in.cpp b/python/bindings.in.cpp
index 80df2067..727bacb0 100644
--- a/python/bindings.in.cpp
+++ b/python/bindings.in.cpp
@@ -404,9 +404,13 @@ BOOST_PYTHON_MODULE(molgrid)
       "Set if generated grids should be on GPU by default.");
   def("tofloatptr", +[](long val) { return Pointer<float>((float*)val);}, "Return integer as float *");
   def("todoubleptr", +[](long val) { return Pointer<double>((double*)val);}, "Return integer as double *");
-  // Apple Silicon: single unified GPU, device is always 0.
-  def("set_gpu_device", +[](int device)->void { (void)device; }, "Set current GPU device (no-op on Apple Silicon).");
-  def("get_gpu_device", +[]()->int { return 0; }, "Get current GPU device (always 0 on Apple Silicon).");
+#if LIBMOLGRID_USE_CUDA
+  def("set_gpu_device", +[](int device)->void {LMG_CUDA_CHECK(cudaSetDevice(device));}, "Set current GPU device.");
+  def("get_gpu_device", +[]()->int {int device = 0; LMG_CUDA_CHECK(cudaGetDevice(&device)); return device;}, "Get current GPU device.");
+#else
+  def("set_gpu_device", +[](int device)->void { (void)device; }, "Set current GPU device (no-op on Metal builds).");
+  def("get_gpu_device", +[]()->int { return 0; }, "Get current GPU device (always 0 on Metal builds).");
+#endif
 
   //type converters
   py_pair<int, float>();
diff --git a/python/bindings_grids.cpp b/python/bindings_grids.cpp
index 75ea60e0..0174d2eb 100644
--- a/python/bindings_grids.cpp
+++ b/python/bindings_grids.cpp
@@ -119,8 +119,12 @@ struct Grid_from_python {
         }
         if(info.isGPU && hasattr(t,"device") && hasattr(t.attr("device"), "index")) {
           int d = extract<int>(t.attr("device").attr("index"));
-          // Apple Silicon: single unified GPU device (always 0)
+#if LIBMOLGRID_USE_CUDA
           int currd = 0;
+          LMG_CUDA_CHECK(cudaGetDevice(&currd));
+#else
+          int currd = 0;
+#endif
           if(currd != d) {
             throw std::invalid_argument("Attempt to use GPU tensor on different device ("+itoa(d)+") than current device ("+itoa(currd)+").  Change location of tensor or change current device.");
           }
@@ -288,4 +292,3 @@ void define_mgrid(const char* name) {
 #define MAKE_MGRID_TN(N, TYPE, NAME) template void define_mgrid<TYPE,NTYPES(N,unsigned)>(const char *);
 
 MAKE_ALL_GRIDS();
-
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index afab55cc..ed4183c4 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -8,20 +8,32 @@ set( LIBMOLGRID_SOURCES
  example_provider.cpp
  example_dataset.cpp
  grid_maker.cpp
- grid_maker_gpu.mm
  coordinateset.cpp
- coordinateset_gpu.mm
  coord_cache.cpp
  transform.cpp
- transform_gpu.mm
  grid_io.cpp
  grid_interpolater.cpp
- grid_interpolater_gpu.mm
  cartesian_grid.cpp
  string_cache.cpp
- metal_context.mm
 )
 
+if(LIBMOLGRID_USE_CUDA)
+ list(APPEND LIBMOLGRID_SOURCES
+  grid_maker.cu
+  coordinateset.cu
+  transform.cu
+  grid_interpolater.cu
+ )
+else()
+ list(APPEND LIBMOLGRID_SOURCES
+  grid_maker_gpu.mm
+  coordinateset_gpu.mm
+  transform_gpu.mm
+  grid_interpolater_gpu.mm
+  metal_context.mm
+ )
+endif()
+
 set( LIBMOLGRID_HEADERS
  ../include/libmolgrid/libmolgrid.h
  ../include/libmolgrid/grid.h
@@ -42,79 +54,95 @@ set( LIBMOLGRID_HEADERS
  ../include/libmolgrid/grid_io.h
  ../include/libmolgrid/cartesian_grid.h
  ../include/libmolgrid/string_cache.h
- ../include/libmolgrid/metal_context.h
 )
 
+if(LIBMOLGRID_USE_METAL)
+ list(APPEND LIBMOLGRID_HEADERS ../include/libmolgrid/metal_context.h)
+endif()
+
 set ( LIBMOLGRID_HEADERS ${LIBMOLGRID_HEADERS}  PARENT_SCOPE)
 
 if(BUILD_SHARED)
     add_library(libmolgrid_shared SHARED ${LIBMOLGRID_HEADERS} ${LIBMOLGRID_SOURCES})
-    SET_TARGET_PROPERTIES(libmolgrid_shared PROPERTIES OUTPUT_NAME molgrid)
+    if(LIBMOLGRID_USE_CUDA)
+      SET_TARGET_PROPERTIES(libmolgrid_shared PROPERTIES OUTPUT_NAME molgrid CUDA_SEPARABLE_COMPILATION OFF)
+    else()
+      SET_TARGET_PROPERTIES(libmolgrid_shared PROPERTIES OUTPUT_NAME molgrid)
+    endif()
     target_link_libraries(libmolgrid_shared
         ${OPENBABEL3_LIBRARIES}
         ${Boost_LIBRARIES}
         ${ZLIB_LIBRARIES}
-        "-framework Metal"
-        "-framework Foundation"
+        ${CUDA_LIBRARIES}
+        ${METAL_FRAMEWORK}
+        ${FOUNDATION_FRAMEWORK}
     )
     install(TARGETS libmolgrid_shared DESTINATION lib)
 endif()
 
 if(BUILD_STATIC)
     add_library(libmolgrid_static STATIC ${LIBMOLGRID_HEADERS} ${LIBMOLGRID_SOURCES})
-    SET_TARGET_PROPERTIES(libmolgrid_static PROPERTIES OUTPUT_NAME molgrid POSITION_INDEPENDENT_CODE ON)
+    if(LIBMOLGRID_USE_CUDA)
+      SET_TARGET_PROPERTIES(libmolgrid_static PROPERTIES OUTPUT_NAME molgrid CUDA_SEPARABLE_COMPILATION OFF POSITION_INDEPENDENT_CODE ON)
+    else()
+      SET_TARGET_PROPERTIES(libmolgrid_static PROPERTIES OUTPUT_NAME molgrid POSITION_INDEPENDENT_CODE ON)
+    endif()
     target_link_libraries(libmolgrid_static
         ${OPENBABEL3_LIBRARIES}
         ${Boost_LIBRARIES}
         ${ZLIB_LIBRARIES}
-        "-framework Metal"
-        "-framework Foundation"
+        ${CUDA_LIBRARIES}
+        ${METAL_FRAMEWORK}
+        ${FOUNDATION_FRAMEWORK}
     )
     install(TARGETS libmolgrid_static DESTINATION lib)
 endif()
 
-# Compile Metal shaders → libmolgrid_shaders.metallib
-find_program(XCRUN xcrun REQUIRED)
+if(LIBMOLGRID_USE_METAL)
+  find_program(XCRUN xcrun REQUIRED)
 
-set(METAL_SOURCE ${CMAKE_CURRENT_SOURCE_DIR}/metal/shaders.metal)
-set(METAL_AIR    ${CMAKE_CURRENT_BINARY_DIR}/shaders.air)
-set(METAL_LIB    ${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib)
+  set(METAL_SOURCE ${CMAKE_CURRENT_SOURCE_DIR}/metal/shaders.metal)
+  set(METAL_AIR ${CMAKE_CURRENT_BINARY_DIR}/shaders.air)
+  set(METAL_LIBRARY_OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib)
 
-# Pass the metallib path to metal_context.mm at compile time
-target_compile_definitions(libmolgrid_shared PRIVATE
-    METAL_LIBRARY_PATH="${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib")
-if(BUILD_STATIC)
+  if(BUILD_SHARED)
+    target_compile_definitions(libmolgrid_shared PRIVATE
+        METAL_LIBRARY_PATH="${METAL_LIBRARY_OUTPUT}")
+  endif()
+  if(BUILD_STATIC)
     target_compile_definitions(libmolgrid_static PRIVATE
-        METAL_LIBRARY_PATH="${CMAKE_CURRENT_BINARY_DIR}/libmolgrid_shaders.metallib")
-endif()
+        METAL_LIBRARY_PATH="${METAL_LIBRARY_OUTPUT}")
+  endif()
 
-add_custom_command(
-    OUTPUT  ${METAL_AIR}
-    COMMAND ${XCRUN} -sdk macosx metal
-            -std=metal3.0
-            -O2
-            -c ${METAL_SOURCE}
-            -o ${METAL_AIR}
-    DEPENDS ${METAL_SOURCE}
-    COMMENT "Compiling Metal shaders to AIR"
-)
+  add_custom_command(
+      OUTPUT ${METAL_AIR}
+      COMMAND ${XCRUN} -sdk macosx metal
+              -std=metal3.0
+              -O2
+              -c ${METAL_SOURCE}
+              -o ${METAL_AIR}
+      DEPENDS ${METAL_SOURCE}
+      COMMENT "Compiling Metal shaders to AIR"
+  )
 
-add_custom_command(
-    OUTPUT  ${METAL_LIB}
-    COMMAND ${XCRUN} -sdk macosx metallib ${METAL_AIR} -o ${METAL_LIB}
-    DEPENDS ${METAL_AIR}
-    COMMENT "Linking Metal AIR → metallib"
-)
+  add_custom_command(
+      OUTPUT ${METAL_LIBRARY_OUTPUT}
+      COMMAND ${XCRUN} -sdk macosx metallib ${METAL_AIR} -o ${METAL_LIBRARY_OUTPUT}
+      DEPENDS ${METAL_AIR}
+      COMMENT "Linking Metal AIR to metallib"
+  )
 
-add_custom_target(metal_shaders ALL DEPENDS ${METAL_LIB})
+  add_custom_target(metal_shaders ALL DEPENDS ${METAL_LIBRARY_OUTPUT})
 
-if(BUILD_SHARED)
-    add_dependencies(libmolgrid_shared metal_shaders)
-endif()
-if(BUILD_STATIC)
-    add_dependencies(libmolgrid_static metal_shaders)
+  if(BUILD_SHARED)
+      add_dependencies(libmolgrid_shared metal_shaders)
+  endif()
+  if(BUILD_STATIC)
+      add_dependencies(libmolgrid_static metal_shaders)
+  endif()
+
+  install(FILES ${METAL_LIBRARY_OUTPUT} DESTINATION lib)
 endif()
 
-install(FILES ${METAL_LIB} DESTINATION lib)
 install(FILES ${LIBMOLGRID_HEADERS} ${PROJECT_BINARY_DIR}/include/libmolgrid/config.h
         DESTINATION include/libmolgrid)
diff --git a/src/example.cpp b/src/example.cpp
index 0e804c97..81c9e1e2 100644
--- a/src/example.cpp
+++ b/src/example.cpp
@@ -259,7 +259,15 @@ void Example::extract_labels(const vector<Example>& examples, Grid<float, 2, isC
   for(unsigned i = 0, n = examples.size(); i < n; i++) {
     const vector<float>& labels = examples[i].labels;
     if(labels.size() != nlabels) throw logic_error("Non-uniform number of labels: "+itoa(nlabels) +" vs "+ itoa(labels.size()));
+#if LIBMOLGRID_USE_CUDA
+    if constexpr (isCUDA) {
+      LMG_CUDA_CHECK(cudaMemcpy(out[i].data(), &labels[0], sizeof(float)*nlabels, cudaMemcpyHostToDevice));
+    } else {
+      memcpy(out[i].data(), &labels[0], sizeof(float)*nlabels);
+    }
+#else
     memcpy(out[i].data(), &labels[0], sizeof(float)*nlabels);
+#endif
   }
 }
 
@@ -281,7 +289,15 @@ void Example::extract_label(const std::vector<Example>& examples, unsigned label
     if(labelpos >= examples[i].labels.size()) throw std::out_of_range("labelpos invalid (nonuniform labels): " +itoa(labelpos) + " >= " + itoa(examples[i].labels.size()));
     labels[i] = examples[i].labels[labelpos];
   }
-   memcpy(out.data(), &labels[0], sizeof(float)*N);
+#if LIBMOLGRID_USE_CUDA
+  if constexpr (isCUDA) {
+    LMG_CUDA_CHECK(cudaMemcpy(out.data(), &labels[0], sizeof(float)*N, cudaMemcpyHostToDevice));
+  } else {
+    memcpy(out.data(), &labels[0], sizeof(float)*N);
+  }
+#else
+  memcpy(out.data(), &labels[0], sizeof(float)*N);
+#endif
 }
 
 template void Example::extract_label(const vector<Example>&, unsigned, Grid<float, 1, false>& );
diff --git a/src/grid_interpolater.cpp b/src/grid_interpolater.cpp
index d8718871..ba777522 100644
--- a/src/grid_interpolater.cpp
+++ b/src/grid_interpolater.cpp
@@ -79,6 +79,7 @@ namespace libmolgrid {
   template void GridInterpolater::checkGrids(const Grid<double, 4, false>& in, const Grid<double, 4, false>& out) const;
   template void GridInterpolater::checkGrids(const Grid<float, 4, true>& in, const Grid<float, 4, true>& out) const;
 
+#if !LIBMOLGRID_USE_CUDA
   // ---------------------------------------------------------------------------
   // Definitions previously in grid_interpolater.cu (CPU-callable)
   // ---------------------------------------------------------------------------
@@ -117,5 +118,6 @@ namespace libmolgrid {
   template float  GridInterpolater::interpolate(const Grid<float,  3, true>&  in, float3 pt) const;
   template float  GridInterpolater::interpolate(const Grid<float,  3, false>& in, float3 pt) const;
   template double GridInterpolater::interpolate(const Grid<double, 3, false>& in, float3 pt) const;
+#endif
 
 }
diff --git a/src/grid_maker.cpp b/src/grid_maker.cpp
index 12797bcd..5923452c 100644
--- a/src/grid_maker.cpp
+++ b/src/grid_maker.cpp
@@ -12,6 +12,7 @@
 
 namespace libmolgrid {
 
+#if !LIBMOLGRID_USE_CUDA
 // Helper used by calc_point specializations
 static inline float sqDistance(float3 pt, float x, float y, float z) {
   float ret;
@@ -45,6 +46,7 @@ float GridMaker::calc_point<true>(float ax, float ay, float az, float ar,
   ar *= radius_scale;
   return (rsq < ar * ar) ? 1.0f : 0.0f;
 }
+#endif
 
 
 void GridMaker::initialize(float res, float d, bool bin, float rscale, float grm) {
@@ -745,6 +747,7 @@ template void GridMaker::backward_relevance(float3,  const Grid<float, 2, false>
     const Grid<float, 1, false>&, const Grid<float, 1, false>&, const Grid<double, 4, false>&,
     const Grid<double, 4, false>& , Grid<double, 1, false>& ) const;
 
+#if !LIBMOLGRID_USE_CUDA
 // ---------------------------------------------------------------------------
 // Definitions previously in grid_maker.cu (non-kernel, CPU-callable functions)
 // ---------------------------------------------------------------------------
@@ -826,5 +829,6 @@ void GridMaker::accumulate_atom_gradient(float ax, float ay, float az,
     agrad.z += -(dist_z / dist) * (agrad_dist * gridval);
   }
 }
+#endif
 
 }
diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt
index c5190bcd..705811c9 100644
--- a/test/CMakeLists.txt
+++ b/test/CMakeLists.txt
@@ -6,21 +6,33 @@ include_directories (${Boost_INCLUDE_DIRS})
 find_package(OpenBabel3 REQUIRED)
 include_directories(SYSTEM ${OPENBABEL3_INCLUDE_DIR})
 
-#get all cpp/mm files
+#get all test files
 set( TEST_SRCS
  test_coordinateset.cpp
  test_grid.cpp
- test_grid_mps.mm
  test_gridmaker.cpp
- test_gridmaker_mps.mm
  test_gridinterp.cpp
  test_mgrid.cpp
- test_mgrid_mps.mm
  test_quaternion.cpp
  test_transform.cpp
- test_transform_mps.mm
 )
 
+if(LIBMOLGRID_USE_CUDA)
+  list(APPEND TEST_SRCS
+    test_grid.cu
+    test_gridmaker.cu
+    test_mgrid.cu
+    test_transform.cu
+  )
+else()
+  list(APPEND TEST_SRCS
+    test_grid_mps.mm
+    test_gridmaker_mps.mm
+    test_mgrid_mps.mm
+    test_transform_mps.mm
+  )
+endif()
+
 #Run through each source
 foreach(testSrc ${TEST_SRCS})
         #Extract the filename without an extension (NAME_WE)
@@ -34,10 +46,10 @@ foreach(testSrc ${TEST_SRCS})
         #link to Boost libraries AND your targets and dependencies
         if(BUILD_STATIC)
            target_link_libraries(${testName} libmolgrid_static ${Boost_LIBRARIES}
-               "-framework Metal" "-framework Foundation")
+               ${CUDA_LIBRARIES} ${METAL_FRAMEWORK} ${FOUNDATION_FRAMEWORK})
         else()
            target_link_libraries(${testName} libmolgrid_shared ${Boost_LIBRARIES}
-               "-framework Metal" "-framework Foundation")
+               ${CUDA_LIBRARIES} ${METAL_FRAMEWORK} ${FOUNDATION_FRAMEWORK})
         endif()
 
         #Finally add it to test execution -

From 251dc0f07b821872b9923e0f3cdf8f490a1ba64c Mon Sep 17 00:00:00 2001
From: fnachon <florian@nachon.net>
Date: Sun, 5 Apr 2026 17:27:41 +0200
Subject: [PATCH 4/4] Regenerate docs and fix macOS doc builds

---
 README.md                                     |    57 +-
 docs/CMakeLists.txt                           |    81 +-
 .../_tutorials/custom_atom_typer_example.html | 16337 +++++----------
 docs/_tutorials/grid_single_molecule.html     | 16632 +++++----------
 .../train_basic_CNN_with_PyTorch.html         | 16714 +++++----------
 .../train_basic_CNN_with_Tensorflow.html      | 16487 +++++----------
 .../train_simple_cartesian_reduction.html     | 16965 +++++-----------
 docs/cpp/.buildinfo                           |     4 +-
 docs/cpp/.doctrees/environment.pickle         |   Bin 1733049 -> 2405469 bytes
 docs/cpp/.doctrees/index.doctree              |   Bin 3340145 -> 3276846 bytes
 docs/cpp/_sources/index.rst.txt               |     1 -
 .../_sphinx_javascript_frameworks_compat.js   |   123 +
 docs/cpp/_static/base-stemmer.js              |   476 +
 docs/cpp/_static/basic.css                    |    79 +-
 docs/cpp/_static/css/badge_only.css           |     2 +-
 docs/cpp/_static/css/theme.css                |     4 +-
 docs/cpp/_static/doctools.js                  |   387 +-
 docs/cpp/_static/documentation_options.js     |     9 +-
 docs/cpp/_static/english-stemmer.js           |  1066 +
 docs/cpp/_static/jquery.js                    |     4 +-
 docs/cpp/_static/js/versions.js               |   228 +
 docs/cpp/_static/language_data.js             |   298 +-
 docs/cpp/_static/pygments.css                 |    67 +-
 docs/cpp/_static/searchtools.js               |   972 +-
 docs/cpp/_static/sphinx_highlight.js          |   159 +
 docs/cpp/genindex.html                        |   146 +-
 docs/cpp/index.html                           |  2279 ++-
 docs/cpp/objects.inv                          |   Bin 26111 -> 26313 bytes
 docs/cpp/search.html                          |    38 +-
 docs/cpp/searchindex.js                       |     2 +-
 docs/cpp/xml/Doxyfile.xml                     |   355 +
 docs/cpp/xml/atom__typer_8cpp.xml             |   187 +-
 docs/cpp/xml/atom__typer_8h.xml               |   265 +-
 docs/cpp/xml/cartesian__grid_8cpp.xml         |   163 +-
 docs/cpp/xml/cartesian__grid_8h.xml           |   216 +-
 ...classlibmolgrid_1_1AtomIndexTypeMapper.xml |    45 +-
 .../xml/classlibmolgrid_1_1AtomIndexTyper.xml |   244 +-
 docs/cpp/xml/classlibmolgrid_1_1AtomTyper.xml |   252 +-
 .../classlibmolgrid_1_1AtomVectorTyper.xml    |   109 +-
 ...bmolgrid_1_1BalancedExampleRefProvider.xml |   114 +-
 .../classlibmolgrid_1_1CallbackIndexTyper.xml |   127 +-
 ...classlibmolgrid_1_1CallbackVectorTyper.xml |   113 +-
 .../xml/classlibmolgrid_1_1CartesianGrid.xml  |    78 +-
 .../cpp/xml/classlibmolgrid_1_1CoordCache.xml |   234 +-
 .../classlibmolgrid_1_1ElementIndexTyper.xml  |    72 +-
 .../xml/classlibmolgrid_1_1ExampleDataset.xml |    77 +-
 .../classlibmolgrid_1_1ExampleExtractor.xml   |   193 +-
 .../classlibmolgrid_1_1ExampleProvider.xml    |   291 +-
 .../classlibmolgrid_1_1ExampleRefProvider.xml |   165 +-
 .../xml/classlibmolgrid_1_1FileAtomMapper.xml |    66 +-
 ...sslibmolgrid_1_1FileMappedElementTyper.xml |   232 +-
 ...lasslibmolgrid_1_1FileMappedGninaTyper.xml |   228 +-
 .../classlibmolgrid_1_1GninaIndexTyper.xml    |   117 +-
 .../classlibmolgrid_1_1GninaVectorTyper.xml   |   158 +-
 docs/cpp/xml/classlibmolgrid_1_1Grid.xml      |   357 +-
 .../classlibmolgrid_1_1GridInterpolater.xml   |   268 +-
 docs/cpp/xml/classlibmolgrid_1_1GridMaker.xml |   756 +-
 ...Grid_3_01Dtype_00_011_00_01isCUDA_01_4.xml |   265 +-
 ...ibmolgrid_1_1GroupedExampleRefProvider.xml |    98 +-
 .../xml/classlibmolgrid_1_1ManagedGrid.xml    |  1074 +-
 .../classlibmolgrid_1_1ManagedGridBase.xml    |   530 +-
 ...d_1_1ManagedGrid_3_01Dtype_00_011_01_4.xml |   493 +-
 ...lasslibmolgrid_1_1MappedAtomIndexTyper.xml |   119 +-
 .../xml/classlibmolgrid_1_1MetalContext.xml   |   736 +
 .../xml/classlibmolgrid_1_1NullIndexTyper.xml |    86 +-
 .../cpp/xml/classlibmolgrid_1_1Quaternion.xml |   403 +-
 ..._1ReceptorStratifiedExampleRefProvider.xml |   116 +-
 ...bmolgrid_1_1SamplingExampleRefProvider.xml |   102 +-
 .../xml/classlibmolgrid_1_1StringCache.xml    |    29 +-
 .../classlibmolgrid_1_1SubsetAtomMapper.xml   |    59 +-
 ...asslibmolgrid_1_1SubsettedElementTyper.xml |   238 +-
 ...classlibmolgrid_1_1SubsettedGninaTyper.xml |   218 +-
 docs/cpp/xml/classlibmolgrid_1_1Transform.xml |   127 +-
 ...ibmolgrid_1_1UniformExampleRefProvider.xml |   127 +-
 ...d_1_1ValueStratifiedExampleRefProfider.xml |   120 +-
 docs/cpp/xml/combine.xslt                     |     2 +-
 docs/cpp/xml/common_8h.xml                    |   807 +-
 docs/cpp/xml/compound.xsd                     |   637 +-
 docs/cpp/xml/coord__cache_8cpp.xml            |   644 +-
 docs/cpp/xml/coord__cache_8h.xml              |   429 +-
 docs/cpp/xml/coordinateset_8cpp.xml           |   534 +-
 docs/cpp/xml/coordinateset_8cu.xml            |     4 +-
 docs/cpp/xml/coordinateset_8h.xml             |   551 +-
 .../dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a.xml  |     6 +-
 .../dir_68267d1309a1af8e8297ef4c3efbcdba.xml  |     5 +-
 .../dir_d44c64559bbebec7f509842c48db8b23.xml  |     4 +-
 docs/cpp/xml/doxyfile.xsd                     |   360 +
 docs/cpp/xml/example_8cpp.xml                 |   929 +-
 docs/cpp/xml/example_8h.xml                   |   614 +-
 docs/cpp/xml/example__dataset_8cpp.xml        |   384 +-
 docs/cpp/xml/example__dataset_8h.xml          |   359 +-
 docs/cpp/xml/example__extractor_8cpp.xml      |   500 +-
 docs/cpp/xml/example__extractor_8h.xml        |   406 +-
 docs/cpp/xml/example__provider_8cpp.xml       |   424 +-
 docs/cpp/xml/example__provider_8h.xml         |   536 +-
 docs/cpp/xml/exampleref__providers_8cpp.xml   |   242 +-
 docs/cpp/xml/exampleref__providers_8h.xml     |   337 +-
 docs/cpp/xml/grid_8h.xml                      |   957 +-
 docs/cpp/xml/grid__interpolater_8cpp.xml      |   374 +-
 docs/cpp/xml/grid__interpolater_8cu.xml       |     4 +-
 docs/cpp/xml/grid__interpolater_8h.xml        |   595 +-
 docs/cpp/xml/grid__io_8cpp.xml                |   275 +-
 docs/cpp/xml/grid__io_8h.xml                  |   200 +-
 docs/cpp/xml/grid__maker_8cpp.xml             |  1749 +-
 docs/cpp/xml/grid__maker_8cu.xml              |     4 +-
 docs/cpp/xml/grid__maker_8h.xml               |  1158 +-
 docs/cpp/xml/index.xml                        |   601 +-
 docs/cpp/xml/index.xsd                        |     8 +-
 docs/cpp/xml/libmolgrid_8cpp.xml              |   258 +-
 docs/cpp/xml/libmolgrid_8h.xml                |   345 +-
 docs/cpp/xml/managed__grid_8h.xml             |  1325 +-
 docs/cpp/xml/metal__context_8h.xml            |   238 +
 docs/cpp/xml/namespaceOpenBabel.xml           |     4 +-
 docs/cpp/xml/namespaceboost.xml               |     4 +-
 docs/cpp/xml/namespaceboost_1_1algorithm.xml  |     4 +-
 docs/cpp/xml/namespacelibmolgrid.xml          |   549 +-
 docs/cpp/xml/namespacestd.xml                 |   159 +-
 docs/cpp/xml/quaternion_8h.xml                |   359 +-
 docs/cpp/xml/string__cache_8cpp.xml           |    44 +
 docs/cpp/xml/string__cache_8h.xml             |   230 +
 docs/cpp/xml/structdouble3.xml                |    61 +
 docs/cpp/xml/structfloat2.xml                 |    46 +
 docs/cpp/xml/structfloat3.xml                 |   128 +
 docs/cpp/xml/structfloat4.xml                 |    76 +
 docs/cpp/xml/structint2.xml                   |    46 +
 docs/cpp/xml/structint3.xml                   |    61 +
 .../xml/structlibmolgrid_1_1CoordinateSet.xml |   398 +-
 docs/cpp/xml/structlibmolgrid_1_1Example.xml  |   143 +-
 ...tlibmolgrid_1_1ExampleProviderSettings.xml |     4 +-
 .../xml/structlibmolgrid_1_1ExampleRef.xml    |    45 +-
 ...tlibmolgrid_1_1GninaIndexTyper_1_1info.xml |    50 +-
 docs/cpp/xml/structlibmolgrid_1_1GridDesc.xml |    76 +
 .../structlibmolgrid_1_1GridMakerParams.xml   |   211 +
 .../xml/structlibmolgrid_1_1QuatParams.xml    |    76 +
 ...tructlibmolgrid_1_1mgrid__buffer__data.xml |    39 +-
 docs/cpp/xml/structuint2.xml                  |    48 +
 docs/cpp/xml/structuint3.xml                  |    61 +
 docs/cpp/xml/transform_8cpp.xml               |   263 +-
 docs/cpp/xml/transform_8cu.xml                |     4 +-
 docs/cpp/xml/transform_8h.xml                 |   283 +-
 docs/cpp/xml/xml.xsd                          |    23 +
 docs/index.md                                 |    84 +-
 docs/python/.buildinfo                        |     4 +-
 docs/python/.doctrees/environment.pickle      |   Bin 60901 -> 166361 bytes
 docs/python/.doctrees/index.doctree           |   Bin 730674 -> 772340 bytes
 docs/python/_sources/index.rst.txt            |     1 -
 .../_sphinx_javascript_frameworks_compat.js   |   123 +
 docs/python/_static/base-stemmer.js           |   476 +
 docs/python/_static/basic.css                 |    79 +-
 docs/python/_static/css/badge_only.css        |     2 +-
 docs/python/_static/css/theme.css             |     4 +-
 docs/python/_static/doctools.js               |   387 +-
 docs/python/_static/documentation_options.js  |     9 +-
 docs/python/_static/english-stemmer.js        |  1066 +
 docs/python/_static/jquery.js                 |     4 +-
 docs/python/_static/js/versions.js            |   228 +
 docs/python/_static/language_data.js          |   298 +-
 docs/python/_static/pygments.css              |    71 +-
 docs/python/_static/searchtools.js            |   972 +-
 docs/python/_static/sphinx_highlight.js       |   159 +
 docs/python/genindex.html                     |    62 +-
 docs/python/index.html                        |  1246 +-
 docs/python/objects.inv                       |   Bin 1707 -> 1747 bytes
 docs/python/py-modindex.html                  |    36 +-
 docs/python/search.html                       |    38 +-
 docs/python/searchindex.js                    |     2 +-
 docs/render_notebook.py                       |    53 +
 docs/tutorials.md                             |     6 +
 python/CMakeLists.txt                         |     9 +
 python/__init__.py                            |     7 +-
 sphinx/cpp/index.rst                          |     1 -
 sphinx/python/conf.py                         |    11 +-
 sphinx/python/index.rst                       |     1 -
 173 files changed, 53365 insertions(+), 72413 deletions(-)
 create mode 100644 docs/cpp/_static/_sphinx_javascript_frameworks_compat.js
 create mode 100644 docs/cpp/_static/base-stemmer.js
 create mode 100644 docs/cpp/_static/english-stemmer.js
 create mode 100644 docs/cpp/_static/js/versions.js
 create mode 100644 docs/cpp/_static/sphinx_highlight.js
 create mode 100644 docs/cpp/xml/Doxyfile.xml
 create mode 100644 docs/cpp/xml/classlibmolgrid_1_1MetalContext.xml
 create mode 100644 docs/cpp/xml/doxyfile.xsd
 create mode 100644 docs/cpp/xml/metal__context_8h.xml
 create mode 100644 docs/cpp/xml/string__cache_8cpp.xml
 create mode 100644 docs/cpp/xml/string__cache_8h.xml
 create mode 100644 docs/cpp/xml/structdouble3.xml
 create mode 100644 docs/cpp/xml/structfloat2.xml
 create mode 100644 docs/cpp/xml/structfloat3.xml
 create mode 100644 docs/cpp/xml/structfloat4.xml
 create mode 100644 docs/cpp/xml/structint2.xml
 create mode 100644 docs/cpp/xml/structint3.xml
 create mode 100644 docs/cpp/xml/structlibmolgrid_1_1GridDesc.xml
 create mode 100644 docs/cpp/xml/structlibmolgrid_1_1GridMakerParams.xml
 create mode 100644 docs/cpp/xml/structlibmolgrid_1_1QuatParams.xml
 create mode 100644 docs/cpp/xml/structuint2.xml
 create mode 100644 docs/cpp/xml/structuint3.xml
 create mode 100644 docs/cpp/xml/xml.xsd
 create mode 100644 docs/python/_static/_sphinx_javascript_frameworks_compat.js
 create mode 100644 docs/python/_static/base-stemmer.js
 create mode 100644 docs/python/_static/english-stemmer.js
 create mode 100644 docs/python/_static/js/versions.js
 create mode 100644 docs/python/_static/sphinx_highlight.js
 create mode 100644 docs/render_notebook.py

diff --git a/README.md b/README.md
index 5db3f9f7..71014f7a 100644
--- a/README.md
+++ b/README.md
@@ -30,8 +30,46 @@ If you use libmolgrid in your research, please cite:
 
 ## Installation
 
-### Prerequisites
+### PIP
 
+```bash
+pip install molgrid
+```
+
+### conda
+
+```bash
+conda install -c gnina molgrid
+```
+
+### Build from Source
+
+```bash
+apt install git build-essential libboost-all-dev python3-pip rapidjson-dev
+pip3 install numpy pytest pyquaternion
+```
+
+[Install cmake 3.12 or higher.](https://cmake.org/install/)
+
+[Install CUDA.](https://developer.nvidia.com/cuda-downloads)
+
+[Install OpenBabel 3.0.](https://github.com/openbabel/openbabel)
+
+`apt install libeigen3-dev libboost-all-dev`
+
+```bash
+git clone https://github.com/gnina/libmolgrid.git
+cd libmolgrid
+mkdir build
+cd build
+cmake ..
+make -j8
+sudo make install
+```
+
+### macOS / Apple Silicon
+
+For this fork, macOS builds can use the Metal backend when CUDA is not available.
 Install dependencies via [Homebrew](https://brew.sh):
 
 ```bash
@@ -39,31 +77,28 @@ brew install cmake boost open-babel rapidjson eigen python
 pip3 install numpy pytest pyquaternion
 ```
 
-Xcode Command Line Tools are required when building the Metal backend (`metal`, `metallib`):
+Xcode Command Line Tools are required for the Metal toolchain:
 
 ```bash
 xcode-select --install
 ```
 
-### Build from Source
+Build with Metal explicitly enabled:
 
 ```bash
-git clone https://github.com/gnina/libmolgrid.git
+git clone https://github.com/fnachon/libmolgrid.git
 cd libmolgrid
-mkdir build && cd build
-cmake .. -DCMAKE_BUILD_TYPE=Release
+mkdir build
+cd build
+cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_CUDA=OFF
 make -j$(sysctl -n hw.logicalcpu)
 sudo make install
 ```
 
-Useful backend switches:
+To build with the upstream CUDA backend instead, disable Metal and use a CUDA-enabled toolchain:
 
 ```bash
-# Force the upstream CUDA backend
 cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_METAL=OFF
-
-# Force the Apple Metal backend
-cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_CUDA=OFF
 ```
 
 When the Metal backend is selected, the shaders in `src/metal/shaders.metal`
diff --git a/docs/CMakeLists.txt b/docs/CMakeLists.txt
index 52a0da80..86e0db2e 100644
--- a/docs/CMakeLists.txt
+++ b/docs/CMakeLists.txt
@@ -10,11 +10,45 @@ IF(BUILD_DOCS)
     ELSE(DOT)
         SET(HAVE_DOT NO)
     ENDIF(DOT)
-    find_package(Sphinx)
-		if(NOT SPHINX_EXECUTABLE)
-			message(WARNING "Sphinx not found; docs will not be built")
+    if(NOT PYTHON_EXECUTABLE)
+      find_package(PythonInterp QUIET)
+    endif()
+
+    set(LIBMOLGRID_SPHINX_COMMAND)
+    if(PYTHON_EXECUTABLE)
+      execute_process(
+        COMMAND ${PYTHON_EXECUTABLE} -c "import sphinx.cmd.build"
+        RESULT_VARIABLE LIBMOLGRID_PYTHON_SPHINX_RESULT
+        OUTPUT_QUIET
+        ERROR_QUIET)
+      execute_process(
+        COMMAND ${PYTHON_EXECUTABLE} -c "import nbconvert"
+        RESULT_VARIABLE LIBMOLGRID_PYTHON_NBCONVERT_RESULT
+        OUTPUT_QUIET
+        ERROR_QUIET)
+      if(LIBMOLGRID_PYTHON_SPHINX_RESULT EQUAL 0)
+        set(LIBMOLGRID_SPHINX_COMMAND ${PYTHON_EXECUTABLE} -m sphinx)
+      endif()
+    endif()
+
+    if(NOT LIBMOLGRID_SPHINX_COMMAND)
+      find_package(Sphinx QUIET)
+      if(SPHINX_EXECUTABLE)
+        execute_process(
+          COMMAND ${SPHINX_EXECUTABLE} --version
+          RESULT_VARIABLE LIBMOLGRID_SPHINX_EXEC_RESULT
+          OUTPUT_QUIET
+          ERROR_QUIET)
+        if(LIBMOLGRID_SPHINX_EXEC_RESULT EQUAL 0)
+          set(LIBMOLGRID_SPHINX_COMMAND ${SPHINX_EXECUTABLE})
+        endif()
+      endif()
+    endif()
+
+		if(NOT LIBMOLGRID_SPHINX_COMMAND)
+			message(WARNING "Sphinx not found or not runnable; docs will not be built")
     	return()
-		endif(NOT SPHINX_EXECUTABLE)
+		endif(NOT LIBMOLGRID_SPHINX_COMMAND)
 
 		# Find all the public headers
 		file(GLOB_RECURSE LIBMOLGRID_PUBLIC_HEADERS ${PROJECT_SOURCE_DIR}/include/libmolgrid/*.h)
@@ -24,7 +58,7 @@ IF(BUILD_DOCS)
     file(MAKE_DIRECTORY ${DOXYGEN_OUTPUT_DIR})
     set(DOXYGEN_INDEX_FILE ${DOXYGEN_OUTPUT_DIR}/index.xml)
 		set(DOXYFILE_IN ${PROJECT_SOURCE_DIR}/docs/Doxyfile.in)
-		set(DOXYFILE_OUT ${PROJECT_SOURCE_DIR}/Doxyfile)
+		set(DOXYFILE_OUT ${CMAKE_BINARY_DIR}/Doxyfile)
 		 
     # process Doxyfile.in and substitute paths to generate a final Doxyfile
 		configure_file(${DOXYFILE_IN} ${DOXYFILE_OUT})
@@ -53,7 +87,7 @@ IF(BUILD_DOCS)
 		# - The Sphinx config has been updated
     add_custom_command(OUTPUT ${SPHINX_CPP_INDEX_FILE}
 		                   COMMAND 
-		                     ${SPHINX_EXECUTABLE} -b html
+		                     ${LIBMOLGRID_SPHINX_COMMAND} -b html
 		                     # Tell Breathe where to find the Doxygen output
 		                     -Dbreathe_projects.libmolgrid=${DOXYGEN_OUTPUT_DIR}
                          ${SPHINX_CPP_SOURCE} ${SPHINX_CPP_BUILD}
@@ -67,8 +101,9 @@ IF(BUILD_DOCS)
     add_custom_target(Sphinx_Cpp ALL DEPENDS ${SPHINX_CPP_INDEX_FILE})
 
     add_custom_command(OUTPUT ${SPHINX_PYTHON_INDEX_FILE}
-		                   COMMAND 
-		                     ${SPHINX_EXECUTABLE} -b html
+		                   COMMAND
+                           ${CMAKE_COMMAND} -E env LIBMOLGRID_PYTHON_BUILD=${CMAKE_BINARY_DIR}/python
+		                     ${LIBMOLGRID_SPHINX_COMMAND} -b html
                          ${SPHINX_PYTHON_SOURCE} ${SPHINX_PYTHON_BUILD}
 		                   WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/docs/python
 		                   DEPENDS
@@ -85,18 +120,20 @@ IF(BUILD_DOCS)
 
     # generate jekyll-compatible html from notebooks for the tutorials page
     file(GLOB NOTEBOOKS ${PROJECT_SOURCE_DIR}/docs/_tutorials/*.ipynb)
-    foreach(file ${NOTEBOOKS})
-      get_filename_component(BASE ${file} NAME_WE)
-      set(OUTNAME ${PROJECT_SOURCE_DIR}/docs/_tutorials/${BASE}.html)
-      set(TMPFILE ${PROJECT_SOURCE_DIR}/docs/_tutorials/tmp)
-      string(REPLACE "_" " " TITLE ${BASE})
-      execute_process(COMMAND bash "-c" "echo ${TITLE} | sed 's/.*/\\L&/; s/[a-z]*/\\u&/'" OUTPUT_VARIABLE TITLE)
-      execute_process(COMMAND bash "-c" "echo '---\ntitle: ${TITLE}layout: tutorials\nhomepage: false\nhide: true\n---\n' > ${OUTNAME}")
-      execute_process(COMMAND bash "-c" "jupyter nbconvert --to html --stdout ${file} >> ${OUTNAME}")
-      execute_process(COMMAND bash "-c" "sed -i 's/<div class=\"container\" id=\"notebook-container\">/<div class=\"bs-docs-container row\">\\n<div class=col-md-9\" role=\"main\">/g' ${OUTNAME}")
-      execute_process(COMMAND bash "-c" "sed -i 's/<\\/body>/\\n<\\/div>\\n<\\/body>/' ${OUTNAME}")
-      execute_process(COMMAND bash "-c" "sed -i 's/\\(.*img src.*\\)<br>/\\1/g' ${OUTNAME}")
-      execute_process(COMMAND bash "-c" "sed -i 's/<pre>/<pre style=\" white-space: pre;\">/g' ${OUTNAME}")
-      file(REMOVE ${TMPFILE})
-    endforeach()
+    if(PYTHON_EXECUTABLE AND LIBMOLGRID_PYTHON_NBCONVERT_RESULT EQUAL 0)
+      foreach(file ${NOTEBOOKS})
+        get_filename_component(BASE ${file} NAME_WE)
+        set(OUTNAME ${PROJECT_SOURCE_DIR}/docs/_tutorials/${BASE}.html)
+        add_custom_command(
+          OUTPUT ${OUTNAME}
+          COMMAND ${PYTHON_EXECUTABLE} ${PROJECT_SOURCE_DIR}/docs/render_notebook.py ${file} ${OUTNAME}
+          DEPENDS ${file} ${PROJECT_SOURCE_DIR}/docs/render_notebook.py
+          COMMENT "Generating tutorial ${BASE}.html"
+          VERBATIM)
+        list(APPEND LIBMOLGRID_TUTORIAL_HTMLS ${OUTNAME})
+      endforeach()
+      add_custom_target(Tutorials ALL DEPENDS ${LIBMOLGRID_TUTORIAL_HTMLS})
+    else()
+      message(WARNING "nbconvert not found in ${PYTHON_EXECUTABLE}; tutorial HTML will not be regenerated")
+    endif()
 ENDIF(BUILD_DOCS)
diff --git a/docs/_tutorials/custom_atom_typer_example.html b/docs/_tutorials/custom_atom_typer_example.html
index d6b8deff..ecae978a 100644
--- a/docs/_tutorials/custom_atom_typer_example.html
+++ b/docs/_tutorials/custom_atom_typer_example.html
@@ -6,15 +6,11 @@
 ---
 
 <!DOCTYPE html>
-<html>
-<head><meta charset="utf-8" />
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-
-<title>custom_atom_typer_example</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
-
-
-
 
+<html lang="en">
+<head><meta charset="utf-8"/>
+<meta content="width=device-width, initial-scale=1.0" name="viewport"/>
+<title>Notebook</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
 <style type="text/css">
     pre { line-height: 125%; }
 td.linenos .normal { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; }
@@ -43,6 +39,7 @@
 .highlight .m { color: var(--jp-mirror-editor-number-color) } /* Literal.Number */
 .highlight .s { color: var(--jp-mirror-editor-string-color) } /* Literal.String */
 .highlight .ow { color: var(--jp-mirror-editor-operator-color); font-weight: bold } /* Operator.Word */
+.highlight .pm { color: var(--jp-mirror-editor-punctuation-color) } /* Punctuation.Marker */
 .highlight .w { color: var(--jp-mirror-editor-variable-color) } /* Text.Whitespace */
 .highlight .mb { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Bin */
 .highlight .mf { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Float */
@@ -64,9 +61,6 @@
 .highlight .ss { color: var(--jp-mirror-editor-string-color) } /* Literal.String.Symbol */
 .highlight .il { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Integer.Long */
   </style>
-
-
-
 <style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
@@ -97,71 +91,6 @@
   scrollbar-width: thin;
 }
 
-/*
- * Webkit scrollbar styling
- */
-
-/* use standard opaque scrollbars for most nodes */
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-corner {
-  background: var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-thumb {
-  background: rgb(var(--jp-scrollbar-thumb-color));
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-right: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-bottom: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-/* for code nodes, use a transparent style of scrollbar */
-
-[data-jp-theme-scrollbars='true'] .CodeMirror-hscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] .CodeMirror-vscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-corner,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-corner {
-  background-color: transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-thumb,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-thumb {
-  background: rgba(var(--jp-scrollbar-thumb-color), 0.5);
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid transparent;
-  border-right: var(--jp-scrollbar-endpad) solid transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid transparent;
-  border-bottom: var(--jp-scrollbar-endpad) solid transparent;
-}
-
 /* tiny scrollbar */
 
 .jp-scrollbar-tiny::-webkit-scrollbar,
@@ -176,17 +105,17 @@
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:horizontal {
-  border-left: 0px solid transparent;
-  border-right: 0px solid transparent;
+  border-left: 0 solid transparent;
+  border-right: 0 solid transparent;
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:vertical {
-  border-top: 0px solid transparent;
-  border-bottom: 0px solid transparent;
+  border-top: 0 solid transparent;
+  border-bottom: 0 solid transparent;
 }
 
 /*
- * Phosphor
+ * Lumino
  */
 
 .lm-ScrollBar[data-orientation='horizontal'] {
@@ -274,6 +203,11 @@
   background-size: 17px;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -283,21 +217,33 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Widget, /* </DEPRECATED> */
 .lm-Widget {
   box-sizing: border-box;
   position: relative;
   overflow: hidden;
-  cursor: default;
 }
 
-
-/* <DEPRECATED> */ .p-Widget.p-mod-hidden, /* </DEPRECATED> */
 .lm-Widget.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.lm-AccordionPanel[data-orientation='horizontal'] > .lm-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -307,8 +253,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-CommandPalette, /* </DEPRECATED> */
 .lm-CommandPalette {
   display: flex;
   flex-direction: column;
@@ -318,14 +262,10 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-search, /* </DEPRECATED> */
 .lm-CommandPalette-search {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-content, /* </DEPRECATED> */
 .lm-CommandPalette-content {
   flex: 1 1 auto;
   margin: 0;
@@ -335,42 +275,30 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-header, /* </DEPRECATED> */
 .lm-CommandPalette-header {
   overflow: hidden;
   white-space: nowrap;
   text-overflow: ellipsis;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-item, /* </DEPRECATED> */
 .lm-CommandPalette-item {
   display: flex;
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemIcon, /* </DEPRECATED> */
 .lm-CommandPalette-itemIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemContent, /* </DEPRECATED> */
 .lm-CommandPalette-itemContent {
   flex: 1 1 auto;
   overflow: hidden;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemShortcut, /* </DEPRECATED> */
 .lm-CommandPalette-itemShortcut {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemLabel, /* </DEPRECATED> */
 .lm-CommandPalette-itemLabel {
   overflow: hidden;
   white-space: nowrap;
@@ -378,32 +306,37 @@
 }
 
 .lm-close-icon {
-	border:1px solid transparent;
+  border: 1px solid transparent;
   background-color: transparent;
   position: absolute;
-	z-index:1;
-	right:3%;
-	top: 0;
-	bottom: 0;
-	margin: auto;
-	padding: 7px 0;
-	display: none;
-	vertical-align: middle;
+  z-index: 1;
+  right: 3%;
+  top: 0;
+  bottom: 0;
+  margin: auto;
+  padding: 7px 0;
+  display: none;
+  vertical-align: middle;
   outline: 0;
   cursor: pointer;
 }
 .lm-close-icon:after {
-	content: "X";
-	display: block;
-	width: 15px;
-	height: 15px;
-	text-align: center;
-	color:#000;
-	font-weight: normal;
-	font-size: 12px;
-	cursor: pointer;
+  content: 'X';
+  display: block;
+  width: 15px;
+  height: 15px;
+  text-align: center;
+  color: #000;
+  font-weight: normal;
+  font-size: 12px;
+  cursor: pointer;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -413,38 +346,26 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-DockPanel, /* </DEPRECATED> */
 .lm-DockPanel {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-widget, /* </DEPRECATED> */
 .lm-DockPanel-widget {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-tabBar, /* </DEPRECATED> */
 .lm-DockPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle, /* </DEPRECATED> */
 .lm-DockPanel-handle {
   z-index: 2;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle:after, /* </DEPRECATED> */
 .lm-DockPanel-handle:after {
   position: absolute;
   top: 0;
@@ -454,56 +375,41 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal'] {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical'] {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal']:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical']:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay, /* </DEPRECATED> */
 .lm-DockPanel-overlay {
   z-index: 3;
   box-sizing: border-box;
   pointer-events: none;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-overlay.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -513,8 +419,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Menu, /* </DEPRECATED> */
 .lm-Menu {
   z-index: 10000;
   position: absolute;
@@ -528,8 +432,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-content, /* </DEPRECATED> */
 .lm-Menu-content {
   margin: 0;
   padding: 0;
@@ -537,47 +439,36 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-item, /* </DEPRECATED> */
 .lm-Menu-item {
   display: table-row;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-item.p-mod-hidden,
-.p-Menu-item.p-mod-collapsed,
-/* </DEPRECATED> */
 .lm-Menu-item.lm-mod-hidden,
 .lm-Menu-item.lm-mod-collapsed {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-itemIcon,
-.p-Menu-itemSubmenuIcon,
-/* </DEPRECATED> */
 .lm-Menu-itemIcon,
 .lm-Menu-itemSubmenuIcon {
   display: table-cell;
   text-align: center;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemLabel, /* </DEPRECATED> */
 .lm-Menu-itemLabel {
   display: table-cell;
   text-align: left;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemShortcut, /* </DEPRECATED> */
 .lm-Menu-itemShortcut {
   display: table-cell;
   text-align: right;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -587,8 +478,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-MenuBar, /* </DEPRECATED> */
 .lm-MenuBar {
   outline: none;
   -webkit-user-select: none;
@@ -597,8 +486,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-MenuBar-content, /* </DEPRECATED> */
 .lm-MenuBar-content {
   margin: 0;
   padding: 0;
@@ -607,22 +494,20 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p--MenuBar-item, /* </DEPRECATED> */
 .lm-MenuBar-item {
   box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */
-.p-MenuBar-itemIcon,
-.p-MenuBar-itemLabel,
-/* </DEPRECATED> */
 .lm-MenuBar-itemIcon,
 .lm-MenuBar-itemLabel {
   display: inline-block;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -632,8 +517,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-ScrollBar, /* </DEPRECATED> */
 .lm-ScrollBar {
   display: flex;
   -webkit-user-select: none;
@@ -642,31 +525,19 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='horizontal'] {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='vertical'] {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-button, /* </DEPRECATED> */
 .lm-ScrollBar-button {
   box-sizing: border-box;
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-track, /* </DEPRECATED> */
 .lm-ScrollBar-track {
   box-sizing: border-box;
   position: relative;
@@ -674,13 +545,16 @@
   flex: 1 1 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-thumb, /* </DEPRECATED> */
 .lm-ScrollBar-thumb {
   box-sizing: border-box;
   position: absolute;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -690,26 +564,18 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-SplitPanel-child, /* </DEPRECATED> */
 .lm-SplitPanel-child {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle, /* </DEPRECATED> */
 .lm-SplitPanel-handle {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-SplitPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle:after, /* </DEPRECATED> */
 .lm-SplitPanel-handle:after {
   position: absolute;
   top: 0;
@@ -719,42 +585,31 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -764,8 +619,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabBar, /* </DEPRECATED> */
 .lm-TabBar {
   display: flex;
   -webkit-user-select: none;
@@ -774,20 +627,16 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='horizontal'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] {
   flex-direction: row;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='vertical'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] {
   flex-direction: column;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-content, /* </DEPRECATED> */
 .lm-TabBar-content {
   margin: 0;
   padding: 0;
@@ -796,94 +645,77 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='horizontal'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] > .lm-TabBar-content {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='vertical'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] > .lm-TabBar-content {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar-tab {
   display: flex;
   flex-direction: row;
   box-sizing: border-box;
   overflow: hidden;
+  touch-action: none; /* Disable native Drag/Drop */
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar-tabIcon,
-.p-TabBar-tabCloseIcon,
-/* </DEPRECATED> */
 .lm-TabBar-tabIcon,
 .lm-TabBar-tabCloseIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tabLabel, /* </DEPRECATED> */
 .lm-TabBar-tabLabel {
   flex: 1 1 auto;
   overflow: hidden;
   white-space: nowrap;
 }
 
-
 .lm-TabBar-tabInput {
   user-select: all;
   width: 100%;
-  box-sizing : border-box;
+  box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab.p-mod-hidden, /* </DEPRECATED> */
 .lm-TabBar-tab.lm-mod-hidden {
   display: none !important;
 }
 
+.lm-TabBar-addButton.lm-mod-hidden {
+  display: none !important;
+}
 
-/* <DEPRECATED> */ .p-TabBar.p-mod-dragging .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab {
   position: relative;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='horizontal'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='horizontal'] .lm-TabBar-tab {
   left: 0;
   transition: left 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='vertical'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='vertical'] .lm-TabBar-tab {
   top: 0;
   transition: top 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging .p-TabBar-tab.p-mod-dragging,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab.lm-mod-dragging {
   transition: none;
 }
 
+.lm-TabBar-tabLabel .lm-TabBar-tabInput {
+  user-select: all;
+  width: 100%;
+  box-sizing: border-box;
+  background: inherit;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -893,18 +725,19 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabPanel-tabBar, /* </DEPRECATED> */
 .lm-TabPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-TabPanel-stackedPanel, /* </DEPRECATED> */
 .lm-TabPanel-stackedPanel {
   z-index: 0;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -914,11536 +747,4207 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-@charset "UTF-8";
-html{
-  -webkit-box-sizing:border-box;
-          box-sizing:border-box; }
-
-*,
-*::before,
-*::after{
-  -webkit-box-sizing:inherit;
-          box-sizing:inherit; }
-
-body{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none;
-  color:#182026;
-  font-family:-apple-system, "BlinkMacSystemFont", "Segoe UI", "Roboto", "Oxygen", "Ubuntu", "Cantarell", "Open Sans", "Helvetica Neue", "Icons16", sans-serif; }
-
-p{
-  margin-bottom:10px;
-  margin-top:0; }
-
-small{
-  font-size:12px; }
-
-strong{
-  font-weight:600; }
-
-::-moz-selection{
-  background:rgba(125, 188, 255, 0.6); }
-
-::selection{
-  background:rgba(125, 188, 255, 0.6); }
-.bp3-heading{
-  color:#182026;
-  font-weight:600;
-  margin:0 0 10px;
-  padding:0; }
-  .bp3-dark .bp3-heading{
-    color:#f5f8fa; }
-
-h1.bp3-heading, .bp3-running-text h1{
-  font-size:36px;
-  line-height:40px; }
-
-h2.bp3-heading, .bp3-running-text h2{
-  font-size:28px;
-  line-height:32px; }
-
-h3.bp3-heading, .bp3-running-text h3{
-  font-size:22px;
-  line-height:25px; }
-
-h4.bp3-heading, .bp3-running-text h4{
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-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-    .bp3-button.bp3-intent-warning:hover, .bp3-button.bp3-intent-warning:active, .bp3-button.bp3-intent-warning.bp3-active{
-      color:#ffffff; }
-    .bp3-button.bp3-intent-warning:hover{
-      background-color:#bf7326;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-warning:active, .bp3-button.bp3-intent-warning.bp3-active{
-      background-color:#a66321;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-warning:disabled, .bp3-button.bp3-intent-warning.bp3-disabled{
-      background-color:rgba(217, 130, 43, 0.5);
-      background-image:none;
-      border-color:transparent;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.6); }
-  .bp3-button.bp3-intent-danger{
-    background-color:#db3737;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-    .bp3-button.bp3-intent-danger:hover, .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      color:#ffffff; }
-    .bp3-button.bp3-intent-danger:hover{
-      background-color:#c23030;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      background-color:#a82a2a;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:disabled, .bp3-button.bp3-intent-danger.bp3-disabled{
-      background-color:rgba(219, 55, 55, 0.5);
-      background-image:none;
-      border-color:transparent;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.6); }
-  .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-    stroke:#ffffff; }
-  .bp3-button.bp3-large,
-  .bp3-large .bp3-button{
-    min-height:40px;
-    min-width:40px;
-    font-size:16px;
-    padding:5px 15px; }
-    .bp3-button.bp3-large::before,
-    .bp3-button.bp3-large > *,
-    .bp3-large .bp3-button::before,
-    .bp3-large .bp3-button > *{
-      margin-right:10px; }
-    .bp3-button.bp3-large:empty::before,
-    .bp3-button.bp3-large > :last-child,
-    .bp3-large .bp3-button:empty::before,
-    .bp3-large .bp3-button > :last-child{
-      margin-right:0; }
-  .bp3-button.bp3-small,
-  .bp3-small .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    padding:0 7px; }
-  .bp3-button.bp3-loading{
-    position:relative; }
-    .bp3-button.bp3-loading[class*="bp3-icon-"]::before{
-      visibility:hidden; }
-    .bp3-button.bp3-loading .bp3-button-spinner{
-      margin:0;
-      position:absolute; }
-    .bp3-button.bp3-loading > :not(.bp3-button-spinner){
-      visibility:hidden; }
-  .bp3-button[class*="bp3-icon-"]::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    color:#5c7080; }
-  .bp3-button .bp3-icon, .bp3-button .bp3-icon-standard, .bp3-button .bp3-icon-large{
-    color:#5c7080; }
-    .bp3-button .bp3-icon.bp3-align-right, .bp3-button .bp3-icon-standard.bp3-align-right, .bp3-button .bp3-icon-large.bp3-align-right{
-      margin-left:7px; }
-  .bp3-button .bp3-icon:first-child:last-child,
-  .bp3-button .bp3-spinner + .bp3-icon:last-child{
-    margin:0 -7px; }
-  .bp3-dark .bp3-button:not([class*="bp3-intent-"]){
-    background-color:#394b59;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover, .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled{
-      background-color:rgba(57, 75, 89, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-      .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled.bp3-active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled.bp3-active{
-        background:rgba(57, 75, 89, 0.7); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-button-spinner .bp3-spinner-head{
-      background:rgba(16, 22, 26, 0.5);
-      stroke:#8a9ba8; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"])[class*="bp3-icon-"]::before{
-      color:#a7b6c2; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-standard, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-large{
-      color:#a7b6c2; }
-  .bp3-dark .bp3-button[class*="bp3-intent-"]{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:hover{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:active, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-active{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:disabled, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-disabled{
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.3); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-      stroke:#8a9ba8; }
-  .bp3-button:disabled::before,
-  .bp3-button:disabled .bp3-icon, .bp3-button:disabled .bp3-icon-standard, .bp3-button:disabled .bp3-icon-large, .bp3-button.bp3-disabled::before,
-  .bp3-button.bp3-disabled .bp3-icon, .bp3-button.bp3-disabled .bp3-icon-standard, .bp3-button.bp3-disabled .bp3-icon-large, .bp3-button[class*="bp3-intent-"]::before,
-  .bp3-button[class*="bp3-intent-"] .bp3-icon, .bp3-button[class*="bp3-intent-"] .bp3-icon-standard, .bp3-button[class*="bp3-intent-"] .bp3-icon-large{
-    color:inherit !important; }
-  .bp3-button.bp3-minimal{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button.bp3-minimal:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-minimal:active, .bp3-button.bp3-minimal.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-minimal:disabled, .bp3-button.bp3-minimal:disabled:hover, .bp3-button.bp3-minimal.bp3-disabled, .bp3-button.bp3-minimal.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-minimal{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-minimal:hover, .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-minimal:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-minimal:disabled, .bp3-dark .bp3-button.bp3-minimal:disabled:hover, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover, .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover, .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover, .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-            background:rgba(217, 130, 43, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-danger{
-      color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover, .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-          background:rgba(219, 55, 55, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-danger .bp3-button-spinner .bp3-spinner-head{
-        stroke:#c23030; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger{
-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-          background:rgba(219, 55, 55, 0.2);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-          background:rgba(219, 55, 55, 0.3);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-  .bp3-button.bp3-outlined{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    border:1px solid rgba(24, 32, 38, 0.2);
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box; }
-    .bp3-button.bp3-outlined:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
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-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
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-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
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-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
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-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
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-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
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-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
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-      color:#106ba3; }
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-        background:none;
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-        color:#106ba3; }
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-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
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-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
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-        color:rgba(16, 107, 163, 0.5); }
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-          color:#48aff0; }
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-          color:#48aff0; }
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-          background:none;
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-            background:rgba(19, 124, 189, 0.3); }
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-      color:#0d8050; }
-      .bp3-button.bp3-outlined.bp3-intent-success:hover, .bp3-button.bp3-outlined.bp3-intent-success:active, .bp3-button.bp3-outlined.bp3-intent-success.bp3-active{
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-        color:#0d8050; }
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-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
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-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
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-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled.bp3-active{
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-        stroke:#0d8050; }
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-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
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-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
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-      color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:hover, .bp3-button.bp3-outlined.bp3-intent-warning:active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-active{
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-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
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-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:disabled, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-disabled.bp3-active{
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-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
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-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
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-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
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-            background:rgba(217, 130, 43, 0.3); }
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-      color:#c23030; }
-      .bp3-button.bp3-outlined.bp3-intent-danger:hover, .bp3-button.bp3-outlined.bp3-intent-danger:active, .bp3-button.bp3-outlined.bp3-intent-danger.bp3-active{
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-        color:#c23030; }
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-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-outlined.bp3-intent-danger:active, .bp3-button.bp3-outlined.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-outlined.bp3-intent-danger:disabled, .bp3-button.bp3-outlined.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-danger.bp3-disabled.bp3-active{
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-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-danger:hover{
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-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-danger.bp3-active{
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-          color:#ff7373; }
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-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-outlined.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-    .bp3-button.bp3-outlined:disabled, .bp3-button.bp3-outlined.bp3-disabled, .bp3-button.bp3-outlined:disabled:hover, .bp3-button.bp3-outlined.bp3-disabled:hover{
-      border-color:rgba(92, 112, 128, 0.1); }
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-      border-color:rgba(255, 255, 255, 0.4); }
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-        border-color:rgba(255, 255, 255, 0.2); }
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-      border-color:rgba(16, 107, 163, 0.6); }
-      .bp3-button.bp3-outlined.bp3-intent-primary:disabled, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled{
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-          border-color:rgba(255, 115, 115, 0.2); }
-
-a.bp3-button{
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-  text-decoration:none;
-  -webkit-transition:none;
-  transition:none; }
-  a.bp3-button, a.bp3-button:hover, a.bp3-button:active{
-    color:#182026; }
-  a.bp3-button.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6); }
-
-.bp3-button-text{
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-      -ms-flex:0 1 auto;
-          flex:0 1 auto; }
-
-.bp3-button.bp3-align-left .bp3-button-text, .bp3-button.bp3-align-right .bp3-button-text,
-.bp3-button-group.bp3-align-left .bp3-button-text,
-.bp3-button-group.bp3-align-right .bp3-button-text{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 auto;
-          flex:1 1 auto; }
-.bp3-button-group{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex; }
-  .bp3-button-group .bp3-button{
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-        -ms-flex:0 0 auto;
-            flex:0 0 auto;
-    position:relative;
-    z-index:4; }
-    .bp3-button-group .bp3-button:focus{
-      z-index:5; }
-    .bp3-button-group .bp3-button:hover{
-      z-index:6; }
-    .bp3-button-group .bp3-button:active, .bp3-button-group .bp3-button.bp3-active{
-      z-index:7; }
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-      z-index:3; }
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-      z-index:9; }
-      .bp3-button-group .bp3-button[class*="bp3-intent-"]:focus{
-        z-index:10; }
-      .bp3-button-group .bp3-button[class*="bp3-intent-"]:hover{
-        z-index:11; }
-      .bp3-button-group .bp3-button[class*="bp3-intent-"]:active, .bp3-button-group .bp3-button[class*="bp3-intent-"].bp3-active{
-        z-index:12; }
-      .bp3-button-group .bp3-button[class*="bp3-intent-"]:disabled, .bp3-button-group .bp3-button[class*="bp3-intent-"].bp3-disabled{
-        z-index:8; }
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-  .bp3-button-group:not(.bp3-minimal) > .bp3-button:not(:first-child){
-    border-bottom-left-radius:0;
-    border-top-left-radius:0; }
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-  .bp3-button-group:not(.bp3-minimal) > .bp3-button:not(:last-child){
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-    border-top-right-radius:0;
-    margin-right:-1px; }
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-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button-group.bp3-minimal .bp3-button:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button-group.bp3-minimal .bp3-button:disabled, .bp3-button-group.bp3-minimal .bp3-button:disabled:hover, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button-group.bp3-minimal .bp3-button:disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button:disabled:hover.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button-group.bp3-minimal .bp3-button{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:hover, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:disabled, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:disabled:hover, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:disabled.bp3-active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:disabled:hover.bp3-active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled.bp3-active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled{
-        background:none;
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-  .bp3-control-group .bp3-input-group .bp3-button{
-    border-radius:3px; }
-  .bp3-control-group .bp3-numeric-input:not(:first-child) .bp3-input-group{
-    border-bottom-left-radius:0;
-    border-top-left-radius:0; }
-  .bp3-control-group.bp3-fill{
-    width:100%; }
-  .bp3-control-group > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto; }
-  .bp3-control-group.bp3-fill > *:not(.bp3-fixed){
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto; }
-  .bp3-control-group.bp3-vertical{
-    -webkit-box-orient:vertical;
-    -webkit-box-direction:normal;
-        -ms-flex-direction:column;
-            flex-direction:column; }
-    .bp3-control-group.bp3-vertical > *{
-      margin-top:-1px; }
-    .bp3-control-group.bp3-vertical > :first-child{
-      border-radius:3px 3px 0 0;
-      margin-top:0; }
-    .bp3-control-group.bp3-vertical > :last-child{
-      border-radius:0 0 3px 3px; }
-.bp3-control{
-  cursor:pointer;
-  display:block;
-  margin-bottom:10px;
-  position:relative;
-  text-transform:none; }
-  .bp3-control input:checked ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control input:checked ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control:not(.bp3-align-right){
-    padding-left:26px; }
-    .bp3-control:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-26px; }
-  .bp3-control.bp3-align-right{
-    padding-right:26px; }
-    .bp3-control.bp3-align-right .bp3-control-indicator{
-      margin-right:-26px; }
-  .bp3-control.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-control.bp3-inline{
-    display:inline-block;
-    margin-right:20px; }
-  .bp3-control input{
-    left:0;
-    opacity:0;
-    position:absolute;
-    top:0;
-    z-index:-1; }
-  .bp3-control .bp3-control-indicator{
-    background-clip:padding-box;
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    border:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    cursor:pointer;
-    display:inline-block;
-    font-size:16px;
-    height:1em;
-    margin-right:10px;
-    margin-top:-3px;
-    position:relative;
-    -webkit-user-select:none;
-       -moz-user-select:none;
-        -ms-user-select:none;
-            user-select:none;
-    vertical-align:middle;
-    width:1em; }
-    .bp3-control .bp3-control-indicator::before{
-      content:"";
-      display:block;
-      height:1em;
-      width:1em; }
-  .bp3-control:hover .bp3-control-indicator{
-    background-color:#ebf1f5; }
-  .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-    background:#d8e1e8;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    cursor:not-allowed; }
-  .bp3-control input:focus ~ .bp3-control-indicator{
-    outline:rgba(19, 124, 189, 0.6) auto 2px;
-    outline-offset:2px;
-    -moz-outline-radius:6px; }
-  .bp3-control.bp3-align-right .bp3-control-indicator{
-    float:right;
-    margin-left:10px;
-    margin-top:1px; }
-  .bp3-control.bp3-large{
-    font-size:16px; }
-    .bp3-control.bp3-large:not(.bp3-align-right){
-      padding-left:30px; }
-      .bp3-control.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-        margin-left:-30px; }
-    .bp3-control.bp3-large.bp3-align-right{
-      padding-right:30px; }
-      .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-        margin-right:-30px; }
-    .bp3-control.bp3-large .bp3-control-indicator{
-      font-size:20px; }
-    .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-top:0; }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control.bp3-checkbox .bp3-control-indicator{
-    border-radius:3px; }
-  .bp3-control.bp3-checkbox input:checked ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M12 5c-.28 0-.53.11-.71.29L7 9.59l-2.29-2.3a1.003 1.003 0 00-1.42 1.42l3 3c.18.18.43.29.71.29s.53-.11.71-.29l5-5A1.003 1.003 0 0012 5z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M11 7H5c-.55 0-1 .45-1 1s.45 1 1 1h6c.55 0 1-.45 1-1s-.45-1-1-1z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-radio .bp3-control-indicator{
-    border-radius:50%; }
-  .bp3-control.bp3-radio input:checked ~ .bp3-control-indicator::before{
-    background-image:radial-gradient(#ffffff, #ffffff 28%, transparent 32%); }
-  .bp3-control.bp3-radio input:checked:disabled ~ .bp3-control-indicator::before{
-    opacity:0.5; }
-  .bp3-control.bp3-radio input:focus ~ .bp3-control-indicator{
-    -moz-outline-radius:16px; }
-  .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(167, 182, 194, 0.5); }
-  .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(115, 134, 148, 0.5); }
-  .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(92, 112, 128, 0.5); }
-  .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5); }
-    .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5); }
-    .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch:not(.bp3-align-right){
-    padding-left:38px; }
-    .bp3-control.bp3-switch:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-38px; }
-  .bp3-control.bp3-switch.bp3-align-right{
-    padding-right:38px; }
-    .bp3-control.bp3-switch.bp3-align-right .bp3-control-indicator{
-      margin-right:-38px; }
-  .bp3-control.bp3-switch .bp3-control-indicator{
-    border:none;
-    border-radius:1.75em;
-    -webkit-box-shadow:none !important;
-            box-shadow:none !important;
-    min-width:1.75em;
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    width:auto; }
-    .bp3-control.bp3-switch .bp3-control-indicator::before{
-      background:#ffffff;
-      border-radius:50%;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-      height:calc(1em - 4px);
-      left:0;
-      margin:2px;
-      position:absolute;
-      -webkit-transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      width:calc(1em - 4px); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    left:calc(100% - 1em); }
-  .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right){
-    padding-left:45px; }
-    .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-45px; }
-  .bp3-control.bp3-switch.bp3-large.bp3-align-right{
-    padding-right:45px; }
-    .bp3-control.bp3-switch.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-right:-45px; }
-  .bp3-dark .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.5); }
-  .bp3-dark .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.7); }
-  .bp3-dark .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.9); }
-  .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(57, 75, 89, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-dark .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch .bp3-control-indicator::before{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-control.bp3-switch .bp3-switch-inner-text{
-    font-size:0.7em;
-    text-align:center; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:first-child{
-    line-height:0;
-    margin-left:0.5em;
-    margin-right:1.2em;
-    visibility:hidden; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:last-child{
-    line-height:1em;
-    margin-left:1.2em;
-    margin-right:0.5em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:first-child{
-    line-height:1em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:last-child{
-    line-height:0;
-    visibility:hidden; }
-  .bp3-dark .bp3-control{
-    color:#f5f8fa; }
-    .bp3-dark .bp3-control.bp3-disabled{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-control .bp3-control-indicator{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-control:hover .bp3-control-indicator{
-      background-color:#30404d; }
-    .bp3-dark .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-      background:#202b33;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-control input:disabled ~ .bp3-control-indicator{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      cursor:not-allowed; }
-    .bp3-dark .bp3-control.bp3-checkbox input:disabled:checked ~ .bp3-control-indicator, .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-file-input{
-  cursor:pointer;
-  display:inline-block;
-  height:30px;
-  position:relative; }
-  .bp3-file-input input{
-    margin:0;
-    min-width:200px;
-    opacity:0; }
-    .bp3-file-input input:disabled + .bp3-file-upload-input,
-    .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-      background:rgba(206, 217, 224, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      resize:none; }
-      .bp3-file-input input:disabled + .bp3-file-upload-input::after,
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-        background-color:rgba(206, 217, 224, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(92, 112, 128, 0.6);
-        cursor:not-allowed;
-        outline:none; }
-        .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active:hover,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active:hover{
-          background:rgba(206, 217, 224, 0.7); }
-      .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input, .bp3-dark
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-        background:rgba(57, 75, 89, 0.5);
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after, .bp3-dark
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-          background-color:rgba(57, 75, 89, 0.5);
-          background-image:none;
-          -webkit-box-shadow:none;
-                  box-shadow:none;
-          color:rgba(167, 182, 194, 0.6); }
-          .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-dark
-          .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active{
-            background:rgba(57, 75, 89, 0.7); }
-  .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#182026; }
-  .bp3-dark .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#f5f8fa; }
-  .bp3-file-input.bp3-fill{
-    width:100%; }
-  .bp3-file-input.bp3-large,
-  .bp3-large .bp3-file-input{
-    height:40px; }
-  .bp3-file-input .bp3-file-upload-input-custom-text::after{
-    content:attr(bp3-button-text); }
-
-.bp3-file-upload-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle;
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal;
-  color:rgba(92, 112, 128, 0.6);
-  left:0;
-  padding-right:80px;
-  position:absolute;
-  right:0;
-  top:0;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-file-upload-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:focus, .bp3-file-upload-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-file-upload-input[type="search"], .bp3-file-upload-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-file-upload-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-file-upload-input:disabled, .bp3-file-upload-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-file-upload-input::after{
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    color:#182026;
-    min-height:24px;
-    min-width:24px;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    border-radius:3px;
-    content:"Browse";
-    line-height:24px;
-    margin:3px;
-    position:absolute;
-    right:0;
-    text-align:center;
-    top:0;
-    width:70px; }
-    .bp3-file-upload-input::after:hover{
-      background-clip:padding-box;
-      background-color:#ebf1f5;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-    .bp3-file-upload-input::after:active, .bp3-file-upload-input::after.bp3-active{
-      background-color:#d8e1e8;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-file-upload-input::after:disabled, .bp3-file-upload-input::after.bp3-disabled{
-      background-color:rgba(206, 217, 224, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      outline:none; }
-      .bp3-file-upload-input::after:disabled.bp3-active, .bp3-file-upload-input::after:disabled.bp3-active:hover, .bp3-file-upload-input::after.bp3-disabled.bp3-active, .bp3-file-upload-input::after.bp3-disabled.bp3-active:hover{
-        background:rgba(206, 217, 224, 0.7); }
-  .bp3-file-upload-input:hover::after{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-file-upload-input:active::after{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-large .bp3-file-upload-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px;
-    padding-right:95px; }
-    .bp3-large .bp3-file-upload-input[type="search"], .bp3-large .bp3-file-upload-input.bp3-round{
-      padding:0 15px; }
-    .bp3-large .bp3-file-upload-input::after{
-      min-height:30px;
-      min-width:30px;
-      line-height:30px;
-      margin:5px;
-      width:85px; }
-  .bp3-dark .bp3-file-upload-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa;
-    color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:disabled, .bp3-dark .bp3-file-upload-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::after{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-      color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover, .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover{
-        background-color:#30404d;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        background-color:#202b33;
-        background-image:none;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-      .bp3-dark .bp3-file-upload-input::after:disabled, .bp3-dark .bp3-file-upload-input::after.bp3-disabled{
-        background-color:rgba(57, 75, 89, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-upload-input::after:disabled.bp3-active, .bp3-dark .bp3-file-upload-input::after.bp3-disabled.bp3-active{
-          background:rgba(57, 75, 89, 0.7); }
-      .bp3-dark .bp3-file-upload-input::after .bp3-button-spinner .bp3-spinner-head{
-        background:rgba(16, 22, 26, 0.5);
-        stroke:#8a9ba8; }
-    .bp3-dark .bp3-file-upload-input:hover::after{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:active::after{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-.bp3-file-upload-input::after{
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-.bp3-form-group{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:vertical;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:column;
-          flex-direction:column;
-  margin:0 0 15px; }
-  .bp3-form-group label.bp3-label{
-    margin-bottom:5px; }
-  .bp3-form-group .bp3-control{
-    margin-top:7px; }
-  .bp3-form-group .bp3-form-helper-text{
-    color:#5c7080;
-    font-size:12px;
-    margin-top:5px; }
-  .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#106ba3; }
-  .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#0d8050; }
-  .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#bf7326; }
-  .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#c23030; }
-  .bp3-form-group.bp3-inline{
-    -webkit-box-align:start;
-        -ms-flex-align:start;
-            align-items:flex-start;
-    -webkit-box-orient:horizontal;
-    -webkit-box-direction:normal;
-        -ms-flex-direction:row;
-            flex-direction:row; }
-    .bp3-form-group.bp3-inline.bp3-large label.bp3-label{
-      line-height:40px;
-      margin:0 10px 0 0; }
-    .bp3-form-group.bp3-inline label.bp3-label{
-      line-height:30px;
-      margin:0 10px 0 0; }
-  .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-dark .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#48aff0; }
-  .bp3-dark .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#3dcc91; }
-  .bp3-dark .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#ffb366; }
-  .bp3-dark .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#ff7373; }
-  .bp3-dark .bp3-form-group .bp3-form-helper-text{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(167, 182, 194, 0.6) !important; }
-.bp3-input-group{
-  display:block;
-  position:relative; }
-  .bp3-input-group .bp3-input{
-    position:relative;
-    width:100%; }
-    .bp3-input-group .bp3-input:not(:first-child){
-      padding-left:30px; }
-    .bp3-input-group .bp3-input:not(:last-child){
-      padding-right:30px; }
-  .bp3-input-group .bp3-input-action,
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-button,
-  .bp3-input-group > .bp3-icon{
-    position:absolute;
-    top:0; }
-    .bp3-input-group .bp3-input-action:first-child,
-    .bp3-input-group > .bp3-input-left-container:first-child,
-    .bp3-input-group > .bp3-button:first-child,
-    .bp3-input-group > .bp3-icon:first-child{
-      left:0; }
-    .bp3-input-group .bp3-input-action:last-child,
-    .bp3-input-group > .bp3-input-left-container:last-child,
-    .bp3-input-group > .bp3-button:last-child,
-    .bp3-input-group > .bp3-icon:last-child{
-      right:0; }
-  .bp3-input-group .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    margin:3px;
-    padding:0 7px; }
-    .bp3-input-group .bp3-button:empty{
-      padding:0; }
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-icon{
-    z-index:1; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon{
-    color:#5c7080; }
-    .bp3-input-group > .bp3-input-left-container > .bp3-icon:empty,
-    .bp3-input-group > .bp3-icon:empty{
-      font-family:"Icons16", sans-serif;
-      font-size:16px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon,
-  .bp3-input-group .bp3-input-action > .bp3-spinner{
-    margin:7px; }
-  .bp3-input-group .bp3-tag{
-    margin:5px; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus),
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-    color:#5c7080; }
-    .bp3-dark .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus), .bp3-dark
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-      color:#a7b6c2; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large{
-      color:#5c7080; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled,
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled{
-    color:rgba(92, 112, 128, 0.6) !important; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-large{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-input-group.bp3-disabled{
-    cursor:not-allowed; }
-    .bp3-input-group.bp3-disabled .bp3-icon{
-      color:rgba(92, 112, 128, 0.6); }
-  .bp3-input-group.bp3-large .bp3-button{
-    min-height:30px;
-    min-width:30px;
-    margin:5px; }
-  .bp3-input-group.bp3-large > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-large > .bp3-icon,
-  .bp3-input-group.bp3-large .bp3-input-action > .bp3-spinner{
-    margin:12px; }
-  .bp3-input-group.bp3-large .bp3-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input-group.bp3-large .bp3-input[type="search"], .bp3-input-group.bp3-large .bp3-input.bp3-round{
-      padding:0 15px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:first-child){
-      padding-left:40px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:last-child){
-      padding-right:40px; }
-  .bp3-input-group.bp3-small .bp3-button{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small .bp3-tag{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-small > .bp3-icon,
-  .bp3-input-group.bp3-small .bp3-input-action > .bp3-spinner{
-    margin:4px; }
-  .bp3-input-group.bp3-small .bp3-input{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input-group.bp3-small .bp3-input[type="search"], .bp3-input-group.bp3-small .bp3-input.bp3-round{
-      padding:0 12px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:first-child){
-      padding-left:24px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:last-child){
-      padding-right:24px; }
-  .bp3-input-group.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-input-group.bp3-round .bp3-button,
-  .bp3-input-group.bp3-round .bp3-input,
-  .bp3-input-group.bp3-round .bp3-tag{
-    border-radius:30px; }
-  .bp3-dark .bp3-input-group .bp3-icon{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-input-group.bp3-disabled .bp3-icon{
-    color:rgba(167, 182, 194, 0.6); }
-  .bp3-input-group.bp3-intent-primary .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input-group.bp3-intent-primary .bp3-input:disabled, .bp3-input-group.bp3-intent-primary .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-primary > .bp3-icon{
-    color:#106ba3; }
-    .bp3-dark .bp3-input-group.bp3-intent-primary > .bp3-icon{
-      color:#48aff0; }
-  .bp3-input-group.bp3-intent-success .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input-group.bp3-intent-success .bp3-input:disabled, .bp3-input-group.bp3-intent-success .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-success > .bp3-icon{
-    color:#0d8050; }
-    .bp3-dark .bp3-input-group.bp3-intent-success > .bp3-icon{
-      color:#3dcc91; }
-  .bp3-input-group.bp3-intent-warning .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input-group.bp3-intent-warning .bp3-input:disabled, .bp3-input-group.bp3-intent-warning .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-warning > .bp3-icon{
-    color:#bf7326; }
-    .bp3-dark .bp3-input-group.bp3-intent-warning > .bp3-icon{
-      color:#ffb366; }
-  .bp3-input-group.bp3-intent-danger .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input-group.bp3-intent-danger .bp3-input:disabled, .bp3-input-group.bp3-intent-danger .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-danger > .bp3-icon{
-    color:#c23030; }
-    .bp3-dark .bp3-input-group.bp3-intent-danger > .bp3-icon{
-      color:#ff7373; }
-.bp3-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle; }
-  .bp3-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:focus, .bp3-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-input[type="search"], .bp3-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-input:disabled, .bp3-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-input.bp3-large{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input.bp3-large[type="search"], .bp3-input.bp3-large.bp3-round{
-      padding:0 15px; }
-  .bp3-input.bp3-small{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input.bp3-small[type="search"], .bp3-input.bp3-small.bp3-round{
-      padding:0 12px; }
-  .bp3-input.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-dark .bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input:disabled, .bp3-dark .bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-input.bp3-intent-primary{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input.bp3-intent-primary:disabled, .bp3-input.bp3-intent-primary.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-primary{
-      -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary:focus{
-        -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-                box-shadow:inset 0 0 0 1px #137cbd; }
-      .bp3-dark .bp3-input.bp3-intent-primary:disabled, .bp3-dark .bp3-input.bp3-intent-primary.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-success{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input.bp3-intent-success:disabled, .bp3-input.bp3-intent-success.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-success{
-      -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success:focus{
-        -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-                box-shadow:inset 0 0 0 1px #0f9960; }
-      .bp3-dark .bp3-input.bp3-intent-success:disabled, .bp3-dark .bp3-input.bp3-intent-success.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-warning{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input.bp3-intent-warning:disabled, .bp3-input.bp3-intent-warning.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-warning{
-      -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning:focus{
-        -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-                box-shadow:inset 0 0 0 1px #d9822b; }
-      .bp3-dark .bp3-input.bp3-intent-warning:disabled, .bp3-dark .bp3-input.bp3-intent-warning.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-danger{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input.bp3-intent-danger:disabled, .bp3-input.bp3-intent-danger.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-danger{
-      -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger:focus{
-        -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #db3737;
-                box-shadow:inset 0 0 0 1px #db3737; }
-      .bp3-dark .bp3-input.bp3-intent-danger:disabled, .bp3-dark .bp3-input.bp3-intent-danger.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input::-ms-clear{
-    display:none; }
-textarea.bp3-input{
-  max-width:100%;
-  padding:10px; }
-  textarea.bp3-input, textarea.bp3-input.bp3-large, textarea.bp3-input.bp3-small{
-    height:auto;
-    line-height:inherit; }
-  textarea.bp3-input.bp3-small{
-    padding:8px; }
-  .bp3-dark textarea.bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark textarea.bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input:disabled, .bp3-dark textarea.bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-label.bp3-label{
-  display:block;
-  margin-bottom:15px;
-  margin-top:0; }
-  label.bp3-label .bp3-html-select,
-  label.bp3-label .bp3-input,
-  label.bp3-label .bp3-select,
-  label.bp3-label .bp3-slider,
-  label.bp3-label .bp3-popover-wrapper{
-    display:block;
-    margin-top:5px;
-    text-transform:none; }
-  label.bp3-label .bp3-button-group{
-    margin-top:5px; }
-  label.bp3-label .bp3-select select,
-  label.bp3-label .bp3-html-select select{
-    font-weight:400;
-    vertical-align:top;
-    width:100%; }
-  label.bp3-label.bp3-disabled,
-  label.bp3-label.bp3-disabled .bp3-text-muted{
-    color:rgba(92, 112, 128, 0.6); }
-  label.bp3-label.bp3-inline{
-    line-height:30px; }
-    label.bp3-label.bp3-inline .bp3-html-select,
-    label.bp3-label.bp3-inline .bp3-input,
-    label.bp3-label.bp3-inline .bp3-input-group,
-    label.bp3-label.bp3-inline .bp3-select,
-    label.bp3-label.bp3-inline .bp3-popover-wrapper{
-      display:inline-block;
-      margin:0 0 0 5px;
-      vertical-align:top; }
-    label.bp3-label.bp3-inline .bp3-button-group{
-      margin:0 0 0 5px; }
-    label.bp3-label.bp3-inline .bp3-input-group .bp3-input{
-      margin-left:0; }
-    label.bp3-label.bp3-inline.bp3-large{
-      line-height:40px; }
-  label.bp3-label:not(.bp3-inline) .bp3-popover-target{
-    display:block; }
-  .bp3-dark label.bp3-label{
-    color:#f5f8fa; }
-    .bp3-dark label.bp3-label.bp3-disabled,
-    .bp3-dark label.bp3-label.bp3-disabled .bp3-text-muted{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 14px;
-          flex:1 1 14px;
-  min-height:0;
-  padding:0;
-  width:30px; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:first-child{
-    border-radius:0 3px 0 0; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:last-child{
-    border-radius:0 0 3px 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:first-child{
-  border-radius:3px 0 0 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:last-child{
-  border-radius:0 0 0 3px; }
-
-.bp3-numeric-input.bp3-large .bp3-button-group.bp3-vertical > .bp3-button{
-  width:40px; }
-
-form{
-  display:block; }
-.bp3-html-select select,
-.bp3-select select{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border:none;
-  border-radius:3px;
-  cursor:pointer;
-  font-size:14px;
-  -webkit-box-pack:center;
-      -ms-flex-pack:center;
-          justify-content:center;
-  padding:5px 10px;
-  text-align:left;
-  vertical-align:middle;
-  background-color:#f5f8fa;
-  background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-  background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-  color:#182026;
-  -moz-appearance:none;
-  -webkit-appearance:none;
-  border-radius:3px;
-  height:30px;
-  padding:0 25px 0 10px;
-  width:100%; }
-  .bp3-html-select select > *, .bp3-select select > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-html-select select > .bp3-fill, .bp3-select select > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-html-select select::before,
-  .bp3-select select::before, .bp3-html-select select > *, .bp3-select select > *{
-    margin-right:7px; }
-  .bp3-html-select select:empty::before,
-  .bp3-select select:empty::before,
-  .bp3-html-select select > :last-child,
-  .bp3-select select > :last-child{
-    margin-right:0; }
-  .bp3-html-select select:hover,
-  .bp3-select select:hover{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-html-select select:active,
-  .bp3-select select:active, .bp3-html-select select.bp3-active,
-  .bp3-select select.bp3-active{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-html-select select:disabled,
-  .bp3-select select:disabled, .bp3-html-select select.bp3-disabled,
-  .bp3-select select.bp3-disabled{
-    background-color:rgba(206, 217, 224, 0.5);
-    background-image:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    outline:none; }
-    .bp3-html-select select:disabled.bp3-active,
-    .bp3-select select:disabled.bp3-active, .bp3-html-select select:disabled.bp3-active:hover,
-    .bp3-select select:disabled.bp3-active:hover, .bp3-html-select select.bp3-disabled.bp3-active,
-    .bp3-select select.bp3-disabled.bp3-active, .bp3-html-select select.bp3-disabled.bp3-active:hover,
-    .bp3-select select.bp3-disabled.bp3-active:hover{
-      background:rgba(206, 217, 224, 0.7); }
-
-.bp3-html-select.bp3-minimal select,
-.bp3-select.bp3-minimal select{
-  background:none;
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  .bp3-html-select.bp3-minimal select:hover,
-  .bp3-select.bp3-minimal select:hover{
-    background:rgba(167, 182, 194, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026;
-    text-decoration:none; }
-  .bp3-html-select.bp3-minimal select:active,
-  .bp3-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal select.bp3-active,
-  .bp3-select.bp3-minimal select.bp3-active{
-    background:rgba(115, 134, 148, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026; }
-  .bp3-html-select.bp3-minimal select:disabled,
-  .bp3-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal select:disabled:hover,
-  .bp3-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal select.bp3-disabled,
-  .bp3-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal select.bp3-disabled:hover,
-  .bp3-select.bp3-minimal select.bp3-disabled:hover{
-    background:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-    .bp3-html-select.bp3-minimal select:disabled.bp3-active,
-    .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active{
-      background:rgba(115, 134, 148, 0.3); }
-  .bp3-dark .bp3-html-select.bp3-minimal select, .bp3-html-select.bp3-minimal .bp3-dark select,
-  .bp3-dark .bp3-select.bp3-minimal select, .bp3-select.bp3-minimal .bp3-dark select{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover, .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover{
-      background:rgba(138, 155, 168, 0.15); }
-    .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:rgba(138, 155, 168, 0.3);
-      color:#f5f8fa; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal .bp3-dark select:disabled,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled, .bp3-select.bp3-minimal .bp3-dark select:disabled, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled:hover, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover{
-      background:none;
-      color:rgba(167, 182, 194, 0.6);
-      cursor:not-allowed; }
-      .bp3-dark .bp3-html-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active{
-        background:rgba(138, 155, 168, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-primary,
-  .bp3-select.bp3-minimal select.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover{
-      background:rgba(19, 124, 189, 0.15);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:rgba(19, 124, 189, 0.3);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled{
-      background:none;
-      color:rgba(16, 107, 163, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active{
-        background:rgba(19, 124, 189, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-      stroke:#106ba3; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary{
-      color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.2);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled{
-        background:none;
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-.bp3-html-select select:disabled,
-.bp3-select select:disabled{
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-  cursor:not-allowed; }
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-.bp3-html-select .bp3-icon,
-.bp3-select .bp3-icon, .bp3-select::after{
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-.bp3-html-select,
-.bp3-select{
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-  vertical-align:middle; }
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-    .bp3-select .bp3-icon{
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-      .bp3-select .bp3-icon:hover{
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-  .bp3-select option{
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-    color:#f5f8fa; }
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-  .bp3-select option:disabled{
-    color:rgba(167, 182, 194, 0.6); }
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-  .bp3-select::after{
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-.bp3-select::after{
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-  font-style:normal;
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-  line-height:1;
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-  -webkit-font-smoothing:antialiased;
-  content:""; }
-.bp3-running-text table, table.bp3-html-table{
-  border-spacing:0;
-  font-size:14px; }
-  .bp3-running-text table th, table.bp3-html-table th,
-  .bp3-running-text table td,
-  table.bp3-html-table td{
-    padding:11px;
-    text-align:left;
-    vertical-align:top; }
-  .bp3-running-text table th, table.bp3-html-table th{
-    color:#182026;
-    font-weight:600; }
-  
-  .bp3-running-text table td,
-  table.bp3-html-table td{
-    color:#182026; }
-  .bp3-running-text table tbody tr:first-child th, table.bp3-html-table tbody tr:first-child th,
-  .bp3-running-text table tbody tr:first-child td,
-  table.bp3-html-table tbody tr:first-child td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15); }
-  .bp3-dark .bp3-running-text table th, .bp3-running-text .bp3-dark table th, .bp3-dark table.bp3-html-table th{
-    color:#f5f8fa; }
-  .bp3-dark .bp3-running-text table td, .bp3-running-text .bp3-dark table td, .bp3-dark table.bp3-html-table td{
-    color:#f5f8fa; }
-  .bp3-dark .bp3-running-text table tbody tr:first-child th, .bp3-running-text .bp3-dark table tbody tr:first-child th, .bp3-dark table.bp3-html-table tbody tr:first-child th,
-  .bp3-dark .bp3-running-text table tbody tr:first-child td,
-  .bp3-running-text .bp3-dark table tbody tr:first-child td,
-  .bp3-dark table.bp3-html-table tbody tr:first-child td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-
-table.bp3-html-table.bp3-html-table-condensed th,
-table.bp3-html-table.bp3-html-table-condensed td, table.bp3-html-table.bp3-small th,
-table.bp3-html-table.bp3-small td{
-  padding-bottom:6px;
-  padding-top:6px; }
-
-table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-  background:rgba(191, 204, 214, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-  -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-  -webkit-box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15); }
-  table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-    -webkit-box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-interactive tbody tr:hover td{
-  background-color:rgba(191, 204, 214, 0.3);
-  cursor:pointer; }
-
-table.bp3-html-table.bp3-interactive tbody tr:active td{
-  background-color:rgba(191, 204, 214, 0.4); }
-
-.bp3-dark table.bp3-html-table{ }
-  .bp3-dark table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-    background:rgba(92, 112, 128, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-      -webkit-box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15);
-              box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:first-child{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:hover td{
-    background-color:rgba(92, 112, 128, 0.3);
-    cursor:pointer; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:active td{
-    background-color:rgba(92, 112, 128, 0.4); }
-
-.bp3-key-combo{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center; }
-  .bp3-key-combo > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-key-combo > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-key-combo::before,
-  .bp3-key-combo > *{
-    margin-right:5px; }
-  .bp3-key-combo:empty::before,
-  .bp3-key-combo > :last-child{
-    margin-right:0; }
-
-.bp3-hotkey-dialog{
-  padding-bottom:0;
-  top:40px; }
-  .bp3-hotkey-dialog .bp3-dialog-body{
-    margin:0;
-    padding:0; }
-  .bp3-hotkey-dialog .bp3-hotkey-label{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1; }
-
-.bp3-hotkey-column{
-  margin:auto;
-  max-height:80vh;
-  overflow-y:auto;
-  padding:30px; }
-  .bp3-hotkey-column .bp3-heading{
-    margin-bottom:20px; }
-    .bp3-hotkey-column .bp3-heading:not(:first-child){
-      margin-top:40px; }
-
-.bp3-hotkey{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-pack:justify;
-      -ms-flex-pack:justify;
-          justify-content:space-between;
-  margin-left:0;
-  margin-right:0; }
-  .bp3-hotkey:not(:last-child){
-    margin-bottom:10px; }
-.bp3-icon{
-  display:inline-block;
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  vertical-align:text-bottom; }
-  .bp3-icon:not(:empty)::before{
-    content:"" !important;
-    content:unset !important; }
-  .bp3-icon > svg{
-    display:block; }
-    .bp3-icon > svg:not([fill]){
-      fill:currentColor; }
-
-.bp3-icon.bp3-intent-primary, .bp3-icon-standard.bp3-intent-primary, .bp3-icon-large.bp3-intent-primary{
-  color:#106ba3; }
-  .bp3-dark .bp3-icon.bp3-intent-primary, .bp3-dark .bp3-icon-standard.bp3-intent-primary, .bp3-dark .bp3-icon-large.bp3-intent-primary{
-    color:#48aff0; }
-
-.bp3-icon.bp3-intent-success, .bp3-icon-standard.bp3-intent-success, .bp3-icon-large.bp3-intent-success{
-  color:#0d8050; }
-  .bp3-dark .bp3-icon.bp3-intent-success, .bp3-dark .bp3-icon-standard.bp3-intent-success, .bp3-dark .bp3-icon-large.bp3-intent-success{
-    color:#3dcc91; }
-
-.bp3-icon.bp3-intent-warning, .bp3-icon-standard.bp3-intent-warning, .bp3-icon-large.bp3-intent-warning{
-  color:#bf7326; }
-  .bp3-dark .bp3-icon.bp3-intent-warning, .bp3-dark .bp3-icon-standard.bp3-intent-warning, .bp3-dark .bp3-icon-large.bp3-intent-warning{
-    color:#ffb366; }
-
-.bp3-icon.bp3-intent-danger, .bp3-icon-standard.bp3-intent-danger, .bp3-icon-large.bp3-intent-danger{
-  color:#c23030; }
-  .bp3-dark .bp3-icon.bp3-intent-danger, .bp3-dark .bp3-icon-standard.bp3-intent-danger, .bp3-dark .bp3-icon-large.bp3-intent-danger{
-    color:#ff7373; }
-
-span.bp3-icon-standard{
-  font-family:"Icons16", sans-serif;
-  font-size:16px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon-large{
-  font-family:"Icons20", sans-serif;
-  font-size:20px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon:empty{
-  font-family:"Icons20";
-  font-size:inherit;
-  font-style:normal;
-  font-weight:400;
-  line-height:1; }
-  span.bp3-icon:empty::before{
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased; }
-
-.bp3-icon-add::before{
-  content:""; }
-
-.bp3-icon-add-column-left::before{
-  content:""; }
-
-.bp3-icon-add-column-right::before{
-  content:""; }
-
-.bp3-icon-add-row-bottom::before{
-  content:""; }
-
-.bp3-icon-add-row-top::before{
-  content:""; }
-
-.bp3-icon-add-to-artifact::before{
-  content:""; }
-
-.bp3-icon-add-to-folder::before{
-  content:""; }
-
-.bp3-icon-airplane::before{
-  content:""; }
-
-.bp3-icon-align-center::before{
-  content:""; }
-
-.bp3-icon-align-justify::before{
-  content:""; }
-
-.bp3-icon-align-left::before{
-  content:""; }
-
-.bp3-icon-align-right::before{
-  content:""; }
-
-.bp3-icon-alignment-bottom::before{
-  content:""; }
-
-.bp3-icon-alignment-horizontal-center::before{
-  content:""; }
-
-.bp3-icon-alignment-left::before{
-  content:""; }
-
-.bp3-icon-alignment-right::before{
-  content:""; }
-
-.bp3-icon-alignment-top::before{
-  content:""; }
-
-.bp3-icon-alignment-vertical-center::before{
-  content:""; }
-
-.bp3-icon-annotation::before{
-  content:""; }
-
-.bp3-icon-application::before{
-  content:""; }
-
-.bp3-icon-applications::before{
-  content:""; }
-
-.bp3-icon-archive::before{
-  content:""; }
-
-.bp3-icon-arrow-bottom-left::before{
-  content:"↙"; }
-
-.bp3-icon-arrow-bottom-right::before{
-  content:"↘"; }
-
-.bp3-icon-arrow-down::before{
-  content:"↓"; }
-
-.bp3-icon-arrow-left::before{
-  content:"←"; }
-
-.bp3-icon-arrow-right::before{
-  content:"→"; }
-
-.bp3-icon-arrow-top-left::before{
-  content:"↖"; }
-
-.bp3-icon-arrow-top-right::before{
-  content:"↗"; }
-
-.bp3-icon-arrow-up::before{
-  content:"↑"; }
-
-.bp3-icon-arrows-horizontal::before{
-  content:"↔"; }
-
-.bp3-icon-arrows-vertical::before{
-  content:"↕"; }
-
-.bp3-icon-asterisk::before{
-  content:"*"; }
-
-.bp3-icon-automatic-updates::before{
-  content:""; }
-
-.bp3-icon-badge::before{
-  content:""; }
-
-.bp3-icon-ban-circle::before{
-  content:""; }
-
-.bp3-icon-bank-account::before{
-  content:""; }
-
-.bp3-icon-barcode::before{
-  content:""; }
-
-.bp3-icon-blank::before{
-  content:""; }
-
-.bp3-icon-blocked-person::before{
-  content:""; }
-
-.bp3-icon-bold::before{
-  content:""; }
-
-.bp3-icon-book::before{
-  content:""; }
-
-.bp3-icon-bookmark::before{
-  content:""; }
-
-.bp3-icon-box::before{
-  content:""; }
-
-.bp3-icon-briefcase::before{
-  content:""; }
-
-.bp3-icon-bring-data::before{
-  content:""; }
-
-.bp3-icon-build::before{
-  content:""; }
-
-.bp3-icon-calculator::before{
-  content:""; }
-
-.bp3-icon-calendar::before{
-  content:""; }
-
-.bp3-icon-camera::before{
-  content:""; }
-
-.bp3-icon-caret-down::before{
-  content:"⌄"; }
-
-.bp3-icon-caret-left::before{
-  content:"〈"; }
-
-.bp3-icon-caret-right::before{
-  content:"〉"; }
-
-.bp3-icon-caret-up::before{
-  content:"⌃"; }
-
-.bp3-icon-cell-tower::before{
-  content:""; }
-
-.bp3-icon-changes::before{
-  content:""; }
-
-.bp3-icon-chart::before{
-  content:""; }
-
-.bp3-icon-chat::before{
-  content:""; }
-
-.bp3-icon-chevron-backward::before{
-  content:""; }
-
-.bp3-icon-chevron-down::before{
-  content:""; }
-
-.bp3-icon-chevron-forward::before{
-  content:""; }
-
-.bp3-icon-chevron-left::before{
-  content:""; }
-
-.bp3-icon-chevron-right::before{
-  content:""; }
-
-.bp3-icon-chevron-up::before{
-  content:""; }
-
-.bp3-icon-circle::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-down::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-left::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-right::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-circle-arrow-up::before{
-  content:""; }
+.jp-Collapse {
+  display: flex;
+  flex-direction: column;
+  align-items: stretch;
+}
 
-.bp3-icon-citation::before{
-  content:""; }
+.jp-Collapse-header {
+  padding: 1px 12px;
+  background-color: var(--jp-layout-color1);
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  align-items: center;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  text-transform: uppercase;
+  user-select: none;
+}
 
-.bp3-icon-clean::before{
-  content:""; }
+.jp-Collapser-icon {
+  height: 16px;
+}
 
-.bp3-icon-clipboard::before{
-  content:""; }
+.jp-Collapse-header-collapsed .jp-Collapser-icon {
+  transform: rotate(-90deg);
+  margin: auto 0;
+}
 
-.bp3-icon-cloud::before{
-  content:"☁"; }
+.jp-Collapser-title {
+  line-height: 25px;
+}
 
-.bp3-icon-cloud-download::before{
-  content:""; }
+.jp-Collapse-contents {
+  padding: 0 12px;
+  background-color: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
+}
 
-.bp3-icon-cloud-upload::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-code::before{
-  content:""; }
+/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
 
-.bp3-icon-code-block::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-cog::before{
-  content:""; }
+/* Icons urls */
 
-.bp3-icon-collapse-all::before{
-  content:""; }
-
-.bp3-icon-column-layout::before{
-  content:""; }
-
-.bp3-icon-comment::before{
-  content:""; }
+:root {
+  --jp-icon-add-above: url(data:image/svg+xml;base64,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);
+  --jp-icon-add-below: url(data:image/svg+xml;base64,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);
+  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-bell: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug: url(data:image/svg+xml;base64,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);
+  --jp-icon-build: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE0LjkgMTcuNDVDMTYuMjUgMTcuNDUgMTcuMzUgMTYuMzUgMTcuMzUgMTVDMTcuMzUgMTMuNjUgMTYuMjUgMTIuNTUgMTQuOSAxMi41NUMxMy41NCAxMi41NSAxMi40NSAxMy42NSAxMi40NSAxNUMxMi40NSAxNi4zNSAxMy41NCAxNy40NSAxNC45IDE3LjQ1Wk0yMC4xIDE1LjY4TDIxLjU4IDE2Ljg0QzIxLjcxIDE2Ljk1IDIxLjc1IDE3LjEzIDIxLjY2IDE3LjI5TDIwLjI2IDE5LjcxQzIwLjE3IDE5Ljg2IDIwIDE5LjkyIDE5LjgzIDE5Ljg2TDE4LjA5IDE5LjE2QzE3LjczIDE5LjQ0IDE3LjMzIDE5LjY3IDE2LjkxIDE5Ljg1TDE2LjY0IDIxLjdDMTYuNjIgMjEuODcgMTYuNDcgMjIgMTYuMyAyMkgxMy41QzEzLjMyIDIyIDEzLjE4IDIxLjg3IDEzLjE1IDIxLjdMMTIuODkgMTkuODVDMTIuNDYgMTkuNjcgMTIuMDcgMTkuNDQgMTEuNzEgMTkuMTZMOS45NjAwMiAxOS44NkM5LjgxMDAyIDE5LjkyIDkuNjIwMDIgMTkuODYgOS41NDAwMiAxOS43MUw4LjE0MDAyIDE3LjI5QzguMDUwMDIgMTcuMTMgOC4wOTAwMiAxNi45NSA4LjIyMDAyIDE2Ljg0TDkuNzAwMDIgMTUuNjhMOS42NTAwMSAxNUw5LjcwMDAyIDE0LjMxTDguMjIwMDIgMTMuMTZDOC4wOTAwMiAxMy4wNSA4LjA1MDAyIDEyLjg2IDguMTQwMDIgMTIuNzFMOS41NDAwMiAxMC4yOUM5LjYyMDAyIDEwLjEzIDkuODEwMDIgMTAuMDcgOS45NjAwMiAxMC4xM0wxMS43MSAxMC44NEMxMi4wNyAxMC41NiAxMi40NiAxMC4zMiAxMi44OSAxMC4xNUwxMy4xNSA4LjI4OTk4QzEzLjE4IDguMTI5OTggMTMuMzIgNy45OTk5OCAxMy41IDcuOTk5OThIMTYuM0MxNi40NyA3Ljk5OTk4IDE2LjYyIDguMTI5OTggMTYuNjQgOC4yODk5OEwxNi45MSAxMC4xNUMxNy4zMyAxMC4zMiAxNy43MyAxMC41NiAxOC4wOSAxMC44NEwxOS44MyAxMC4xM0MyMCAxMC4wNyAyMC4xNyAxMC4xMyAyMC4yNiAxMC4yOUwyMS42NiAxMi43MUMyMS43NSAxMi44NiAyMS43MSAxMy4wNSAyMS41OCAxMy4xNkwyMC4xIDE0LjMxTDIwLjE1IDE1TDIwLjEgMTUuNjhaIi8+CiAgICA8cGF0aCBkPSJNNy4zMjk2NiA3LjQ0NDU0QzguMDgzMSA3LjAwOTU0IDguMzM5MzIgNi4wNTMzMiA3LjkwNDMyIDUuMjk5ODhDNy40NjkzMiA0LjU0NjQzIDYuNTA4MSA0LjI4MTU2IDUuNzU0NjYgNC43MTY1NkM1LjM5MTc2IDQuOTI2MDggNS4xMjY5NSA1LjI3MTE4IDUuMDE4NDkgNS42NzU5NEM0LjkxMDA0IDYuMDgwNzEgNC45NjY4MiA2LjUxMTk4IDUuMTc2MzQgNi44NzQ4OEM1LjYxMTM0IDcuNjI4MzIgNi41NzYyMiA3Ljg3OTU0IDcuMzI5NjYgNy40NDQ1NFpNOS42NTcxOCA0Ljc5NTkzTDEwLjg2NzIgNC45NTE3OUMxMC45NjI4IDQuOTc3NDEgMTEuMDQwMiA1LjA3MTMzIDExLjAzODIgNS4xODc5M0wxMS4wMzg4IDYuOTg4OTNDMTEuMDQ1NSA3LjEwMDU0IDEwLjk2MTYgNy4xOTUxOCAxMC44NTUgNy4yMTA1NEw5LjY2MDAxIDcuMzgwODNMOS4yMzkxNSA4LjEzMTg4TDkuNjY5NjEgOS4yNTc0NUM5LjcwNzI5IDkuMzYyNzEgOS42NjkzNCA5LjQ3Njk5IDkuNTc0MDggOS41MzE5OUw4LjAxNTIzIDEwLjQzMkM3LjkxMTMxIDEwLjQ5MiA3Ljc5MzM3IDEwLjQ2NzcgNy43MjEwNSAxMC4zODI0TDYuOTg3NDggOS40MzE4OEw2LjEwOTMxIDkuNDMwODNMNS4zNDcwNCAxMC4zOTA1QzUuMjg5MDkgMTAuNDcwMiA1LjE3MzgzIDEwLjQ5MDUgNS4wNzE4NyAxMC40MzM5TDMuNTEyNDUgOS41MzI5M0MzLjQxMDQ5IDkuNDc2MzMgMy4zNzY0NyA5LjM1NzQxIDMuNDEwNzUgOS4yNTY3OUwzLjg2MzQ3IDguMTQwOTNMMy42MTc0OSA3Ljc3NDg4TDMuNDIzNDcgNy4zNzg4M0wyLjIzMDc1IDcuMjEyOTdDMi4xMjY0NyA3LjE5MjM1IDIuMDQwNDkgNy4xMDM0MiAyLjA0MjQ1IDYuOTg2ODJMMi4wNDE4NyA1LjE4NTgyQzIuMDQzODMgNS4wNjkyMiAyLjExOTA5IDQuOTc5NTggMi4yMTcwNCA0Ljk2OTIyTDMuNDIwNjUgNC43OTM5M0wzLjg2NzQ5IDQuMDI3ODhMMy40MTEwNSAyLjkxNzMxQzMuMzczMzcgMi44MTIwNCAzLjQxMTMxIDIuNjk3NzYgMy41MTUyMyAyLjYzNzc2TDUuMDc0MDggMS43Mzc3NkM1LjE2OTM0IDEuNjgyNzYgNS4yODcyOSAxLjcwNzA0IDUuMzU5NjEgMS43OTIzMUw2LjExOTE1IDIuNzI3ODhMNi45ODAwMSAyLjczODkzTDcuNzI0OTYgMS43ODkyMkM3Ljc5MTU2IDEuNzA0NTggNy45MTU0OCAxLjY3OTIyIDguMDA4NzkgMS43NDA4Mkw5LjU2ODIxIDIuNjQxODJDOS42NzAxNyAyLjY5ODQyIDkuNzEyODUgMi44MTIzNCA5LjY4NzIzIDIuOTA3OTdMOS4yMTcxOCA0LjAzMzgzTDkuNDYzMTYgNC4zOTk4OEw5LjY1NzE4IDQuNzk1OTNaIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KICA8ZyBjbGFzcz0ianAtaWNvbjIiIGZpbGw9IiM0MTQxNDEiPgogICAgPHJlY3QgeD0iMiIgeT0iMiIgd2lkdGg9IjE2IiBoZWlnaHQ9IjE2Ii8+CiAgPC9nPgogIDxnIGNsYXNzPSJqcC1pY29uLWFjY2VudDIiIGZpbGw9IiNGRkYiPgogICAgPHBhdGggZD0iTTcuNiw4aDAuOWwzLjUsOGgtMS4xTDEwLDE0SDZsLTAuOSwySDRMNy42LDh6IE04LDkuMUw2LjQsMTNoMy4yTDgsOS4xeiIvPgogICAgPHBhdGggZD0iTTE2LjYsOS44Yy0wLjIsMC4xLTAuNCwwLjEtMC43LDAuMWMtMC4yLDAtMC40LTAuMS0wLjYtMC4yYy0wLjEtMC4xLTAuMi0wLjQtMC4yLTAuNyBjLTAuMywwLjMtMC42LDAuNS0wLjksMC43Yy0wLjMsMC4xLTAuNywwLjItMS4xLDAuMmMtMC4zLDAtMC41LDAtMC43LTAuMWMtMC4yLTAuMS0wLjQtMC4yLTAuNi0wLjNjLTAuMi0wLjEtMC4zLTAuMy0wLjQtMC41IGMtMC4xLTAuMi0wLjEtMC40LTAuMS0wLjdjMC0wLjMsMC4xLTAuNiwwLjItMC44YzAuMS0wLjIsMC4zLTAuNCwwLjQtMC41QzEyLDcsMTIuMiw2LjksMTIuNSw2LjhjMC4yLTAuMSwwLjUtMC4xLDAuNy0wLjIgYzAuMy0wLjEsMC41LTAuMSwwLjctMC4xYzAuMiwwLDAuNC0wLjEsMC42LTAuMWMwLjIsMCwwLjMtMC4xLDAuNC0wLjJjMC4xLTAuMSwwLjItMC4yLDAuMi0wLjRjMC0xLTEuMS0xLTEuMy0xIGMtMC40LDAtMS40LDAtMS40LDEuMmgtMC45YzAtMC40LDAuMS0wLjcsMC4yLTFjMC4xLTAuMiwwLjMtMC40LDAuNS0wLjZjMC4yLTAuMiwwLjUtMC4zLDAuOC0wLjNDMTMuMyw0LDEzLjYsNCwxMy45LDQgYzAuMywwLDAuNSwwLDAuOCwwLjFjMC4zLDAsMC41LDAuMSwwLjcsMC4yYzAuMiwwLjEsMC40LDAuMywwLjUsMC41QzE2LDUsMTYsNS4yLDE2LDUuNnYyLjljMCwwLjIsMCwwLjQsMCwwLjUgYzAsMC4xLDAuMSwwLjIsMC4zLDAuMmMwLjEsMCwwLjIsMCwwLjMsMFY5Ljh6IE0xNS4yLDYuOWMtMS4yLDAuNi0zLjEsMC4yLTMuMSwxLjRjMCwxLjQsMy4xLDEsMy4xLTAuNVY2Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik05IDE2LjE3TDQuODMgMTJsLTEuNDIgMS40MUw5IDE5IDIxIDdsLTEuNDEtMS40MXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-circle: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iOSIgY3k9IjkiIHI9IjgiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-clear: url(data:image/svg+xml;base64,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);
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+  --jp-icon-code-check: url(data:image/svg+xml;base64,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);
+  --jp-icon-code: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTExLjQgMTguNkw2LjggMTRMMTEuNCA5LjRMMTAgOEw0IDE0TDEwIDIwTDExLjQgMTguNlpNMTYuNiAxOC42TDIxLjIgMTRMMTYuNiA5LjRMMTggOEwyNCAxNEwxOCAyMEwxNi42IDE4LjZWMTguNloiLz4KCTwvZz4KPC9zdmc+Cg==);
+  --jp-icon-collapse-all: url(data:image/svg+xml;base64,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);
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+  --jp-icon-copyright: url(data:image/svg+xml;base64,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);
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+  --jp-icon-ellipses: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iNSIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxMiIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxOSIgY3k9IjEyIiByPSIyIi8+CiAgPC9nPgo8L3N2Zz4K);
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+  --jp-icon-extension: url(data:image/svg+xml;base64,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);
+  --jp-icon-fast-forward: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIyNCIgaGVpZ2h0PSIyNCIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTQgMThsOC41LTZMNCA2djEyem05LTEydjEybDguNS02TDEzIDZ6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-file-upload: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTZoNnYtNmg0bC03LTctNyA3aDR6bS00IDJoMTR2Mkg1eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-file: url(data:image/svg+xml;base64,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);
+  --jp-icon-filter-dot: url(data:image/svg+xml;base64,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);
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+  --jp-icon-filter: url(data:image/svg+xml;base64,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);
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+  --jp-icon-home: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjRweCIgdmlld0JveD0iMCAwIDI0IDI0IiB3aWR0aD0iMjRweCIgZmlsbD0iIzAwMDAwMCI+CiAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPjxwYXRoIGNsYXNzPSJqcC1pY29uMyBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xMCAyMHYtNmg0djZoNXYtOGgzTDEyIDMgMiAxMmgzdjh6Ii8+Cjwvc3ZnPgo=);
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+  --jp-icon-info: url(data:image/svg+xml;base64,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);
+  --jp-icon-inspector: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaW5zcGVjdG9yLWljb24tY29sb3IganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY2YzAtMS4xLS45LTItMi0yem0tNSAxNEg0di00aDExdjR6bTAtNUg0VjloMTF2NHptNSA1aC00VjloNHY5eiIvPgo8L3N2Zz4K);
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+  --jp-icon-kernel: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiIgZmlsbD0iIzYxNjE2MSIgZD0iTTE1IDlIOXY2aDZWOXptLTIgNGgtMnYtMmgydjJ6bTgtMlY5aC0yVjdjMC0xLjEtLjktMi0yLTJoLTJWM2gtMnYyaC0yVjNIOXYySDdjLTEuMSAwLTIgLjktMiAydjJIM3YyaDJ2MkgzdjJoMnYyYzAgMS4xLjkgMiAyIDJoMnYyaDJ2LTJoMnYyaDJ2LTJoMmMxLjEgMCAyLS45IDItMnYtMmgydi0yaC0ydi0yaDJ6bS00IDZIN1Y3aDEwdjEweiIvPgo8L3N2Zz4K);
+  --jp-icon-keyboard: url(data:image/svg+xml;base64,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);
+  --jp-icon-launch: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMzIgMzIiIHdpZHRoPSIzMiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yNiwyOEg2YTIuMDAyNywyLjAwMjcsMCwwLDEtMi0yVjZBMi4wMDI3LDIuMDAyNywwLDAsMSw2LDRIMTZWNkg2VjI2SDI2VjE2aDJWMjZBMi4wMDI3LDIuMDAyNywwLDAsMSwyNiwyOFoiLz4KICAgIDxwb2x5Z29uIHBvaW50cz0iMjAgMiAyMCA0IDI2LjU4NiA0IDE4IDEyLjU4NiAxOS40MTQgMTQgMjggNS40MTQgMjggMTIgMzAgMTIgMzAgMiAyMCAyIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-launcher: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkgMTlINVY1aDdWM0g1YTIgMiAwIDAwLTIgMnYxNGEyIDIgMCAwMDIgMmgxNGMxLjEgMCAyLS45IDItMnYtN2gtMnY3ek0xNCAzdjJoMy41OWwtOS44MyA5LjgzIDEuNDEgMS40MUwxOSA2LjQxVjEwaDJWM2gtN3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-line-form: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGZpbGw9IndoaXRlIiBkPSJNNS44OCA0LjEyTDEzLjc2IDEybC03Ljg4IDcuODhMOCAyMmwxMC0xMEw4IDJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-link: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTMuOSAxMmMwLTEuNzEgMS4zOS0zLjEgMy4xLTMuMWg0VjdIN2MtMi43NiAwLTUgMi4yNC01IDVzMi4yNCA1IDUgNWg0di0xLjlIN2MtMS43MSAwLTMuMS0xLjM5LTMuMS0zLjF6TTggMTNoOHYtMkg4djJ6bTktNmgtNHYxLjloNGMxLjcxIDAgMy4xIDEuMzkgMy4xIDMuMXMtMS4zOSAzLjEtMy4xIDMuMWgtNFYxN2g0YzIuNzYgMCA1LTIuMjQgNS01cy0yLjI0LTUtNS01eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xOSA1djE0SDVWNWgxNG0xLjEtMkgzLjljLS41IDAtLjkuNC0uOS45djE2LjJjMCAuNC40LjkuOS45aDE2LjJjLjQgMCAuOS0uNS45LS45VjMuOWMwLS41LS41LS45LS45LS45ek0xMSA3aDZ2MmgtNlY3em0wIDRoNnYyaC02di0yem0wIDRoNnYyaC02ek03IDdoMnYySDd6bTAgNGgydjJIN3ptMCA0aDJ2Mkg3eiIvPgo8L3N2Zz4K);
+  --jp-icon-markdown: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-down: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTQiIGhlaWdodD0iMTQiIHZpZXdCb3g9IjAgMCAxNCAxNCIgZmlsbD0ibm9uZSIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KPHBhdGggY2xhc3M9ImpwLWljb24zIiBkPSJNMTIuNDcxIDcuNTI4OTlDMTIuNzYzMiA3LjIzNjg0IDEyLjc2MzIgNi43NjMxNiAxMi40NzEgNi40NzEwMVY2LjQ3MTAxQzEyLjE3OSA2LjE3OTA1IDExLjcwNTcgNi4xNzg4NCAxMS40MTM1IDYuNDcwNTRMNy43NSAxMC4xMjc1VjEuNzVDNy43NSAxLjMzNTc5IDcuNDE0MjEgMSA3IDFWMUM2LjU4NTc5IDEgNi4yNSAxLjMzNTc5IDYuMjUgMS43NVYxMC4xMjc1TDIuNTk3MjYgNi40NjgyMkMyLjMwMzM4IDYuMTczODEgMS44MjY0MSA2LjE3MzU5IDEuNTMyMjYgNi40Njc3NFY2LjQ2Nzc0QzEuMjM4MyA2Ljc2MTcgMS4yMzgzIDcuMjM4MyAxLjUzMjI2IDcuNTMyMjZMNi4yOTI4OSAxMi4yOTI5QzYuNjgzNDIgMTIuNjgzNCA3LjMxNjU4IDEyLjY4MzQgNy43MDcxMSAxMi4yOTI5TDEyLjQ3MSA3LjUyODk5WiIgZmlsbD0iIzYxNjE2MSIvPgo8L3N2Zz4K);
+  --jp-icon-move-up: url(data:image/svg+xml;base64,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);
+  --jp-icon-new-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwIDZoLThsLTItMkg0Yy0xLjExIDAtMS45OS44OS0xLjk5IDJMMiAxOGMwIDEuMTEuODkgMiAyIDJoMTZjMS4xMSAwIDItLjg5IDItMlY4YzAtMS4xMS0uODktMi0yLTJ6bS0xIDhoLTN2M2gtMnYtM2gtM3YtMmgzVjloMnYzaDN2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-not-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-notebook: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtbm90ZWJvb2staWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiNFRjZDMDAiPgogICAgPHBhdGggZD0iTTE4LjcgMy4zdjE1LjRIMy4zVjMuM2gxNS40bTEuNS0xLjVIMS44djE4LjNoMTguM2wuMS0xOC4zeiIvPgogICAgPHBhdGggZD0iTTE2LjUgMTYuNWwtNS40LTQuMy01LjYgNC4zdi0xMWgxMXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-numbering: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTQgMTlINlYxOS41SDVWMjAuNUg2VjIxSDRWMjJIN1YxOEg0VjE5Wk01IDEwSDZWNkg0VjdINVYxMFpNNCAxM0g1LjhMNCAxNS4xVjE2SDdWMTVINS4yTDcgMTIuOVYxMkg0VjEzWk05IDdWOUgyM1Y3SDlaTTkgMjFIMjNWMTlIOVYyMVpNOSAxNUgyM1YxM0g5VjE1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-offline-bolt: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDIuMDJjLTUuNTEgMC05Ljk4IDQuNDctOS45OCA5Ljk4czQuNDcgOS45OCA5Ljk4IDkuOTggOS45OC00LjQ3IDkuOTgtOS45OFMxNy41MSAyLjAyIDEyIDIuMDJ6TTExLjQ4IDIwdi02LjI2SDhMMTMgNHY2LjI2aDMuMzVMMTEuNDggMjB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-palette: url(data:image/svg+xml;base64,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);
+  --jp-icon-paste: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE5IDJoLTQuMThDMTQuNC44NCAxMy4zIDAgMTIgMGMtMS4zIDAtMi40Ljg0LTIuODIgMkg1Yy0xLjEgMC0yIC45LTIgMnYxNmMwIDEuMS45IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjRjMC0xLjEtLjktMi0yLTJ6bS03IDBjLjU1IDAgMSAuNDUgMSAxcy0uNDUgMS0xIDEtMS0uNDUtMS0xIC40NS0xIDEtMXptNyAxOEg1VjRoMnYzaDEwVjRoMnYxNnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-pdf: url(data:image/svg+xml;base64,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);
+  --jp-icon-python: url(data:image/svg+xml;base64,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);
+  --jp-icon-r-kernel: url(data:image/svg+xml;base64,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);
+  --jp-icon-react: url(data:image/svg+xml;base64,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);
+  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-regex: url(data:image/svg+xml;base64,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);
+  --jp-icon-run: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTggNXYxNGwxMS03eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-search: url(data:image/svg+xml;base64,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);
+  --jp-icon-settings: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkuNDMgMTIuOThjLjA0LS4zMi4wNy0uNjQuMDctLjk4cy0uMDMtLjY2LS4wNy0uOThsMi4xMS0xLjY1Yy4xOS0uMTUuMjQtLjQyLjEyLS42NGwtMi0zLjQ2Yy0uMTItLjIyLS4zOS0uMy0uNjEtLjIybC0yLjQ5IDFjLS41Mi0uNC0xLjA4LS43My0xLjY5LS45OGwtLjM4LTIuNjVBLjQ4OC40ODggMCAwMDE0IDJoLTRjLS4yNSAwLS40Ni4xOC0uNDkuNDJsLS4zOCAyLjY1Yy0uNjEuMjUtMS4xNy41OS0xLjY5Ljk4bC0yLjQ5LTFjLS4yMy0uMDktLjQ5IDAtLjYxLjIybC0yIDMuNDZjLS4xMy4yMi0uMDcuNDkuMTIuNjRsMi4xMSAxLjY1Yy0uMDQuMzItLjA3LjY1LS4wNy45OHMuMDMuNjYuMDcuOThsLTIuMTEgMS42NWMtLjE5LjE1LS4yNC40Mi0uMTIuNjRsMiAzLjQ2Yy4xMi4yMi4zOS4zLjYxLjIybDIuNDktMWMuNTIuNCAxLjA4LjczIDEuNjkuOThsLjM4IDIuNjVjLjAzLjI0LjI0LjQyLjQ5LjQyaDRjLjI1IDAgLjQ2LS4xOC40OS0uNDJsLjM4LTIuNjVjLjYxLS4yNSAxLjE3LS41OSAxLjY5LS45OGwyLjQ5IDFjLjIzLjA5LjQ5IDAgLjYxLS4yMmwyLTMuNDZjLjEyLS4yMi4wNy0uNDktLjEyLS42NGwtMi4xMS0xLjY1ek0xMiAxNS41Yy0xLjkzIDAtMy41LTEuNTctMy41LTMuNXMxLjU3LTMuNSAzLjUtMy41IDMuNSAxLjU3IDMuNSAzLjUtMS41NyAzLjUtMy41IDMuNXoiLz4KPC9zdmc+Cg==);
+  --jp-icon-share: url(data:image/svg+xml;base64,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);
+  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-tag: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjgiIGhlaWdodD0iMjgiIHZpZXdCb3g9IjAgMCA0MyAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTI4LjgzMzIgMTIuMzM0TDMyLjk5OTggMTYuNTAwN0wzNy4xNjY1IDEyLjMzNEgyOC44MzMyWiIvPgoJCTxwYXRoIGQ9Ik0xNi4yMDk1IDIxLjYxMDRDMTUuNjg3MyAyMi4xMjk5IDE0Ljg0NDMgMjIuMTI5OSAxNC4zMjQ4IDIxLjYxMDRMNi45ODI5IDE0LjcyNDVDNi41NzI0IDE0LjMzOTQgNi4wODMxMyAxMy42MDk4IDYuMDQ3ODYgMTMuMDQ4MkM1Ljk1MzQ3IDExLjUyODggNi4wMjAwMiA4LjYxOTQ0IDYuMDY2MjEgNy4wNzY5NUM2LjA4MjgxIDYuNTE0NzcgNi41NTU0OCA2LjA0MzQ3IDcuMTE4MDQgNi4wMzA1NUM5LjA4ODYzIDUuOTg0NzMgMTMuMjYzOCA1LjkzNTc5IDEzLjY1MTggNi4zMjQyNUwyMS43MzY5IDEzLjYzOUMyMi4yNTYgMTQuMTU4NSAyMS43ODUxIDE1LjQ3MjQgMjEuMjYyIDE1Ljk5NDZMMTYuMjA5NSAyMS42MTA0Wk05Ljc3NTg1IDguMjY1QzkuMzM1NTEgNy44MjU2NiA4LjYyMzUxIDcuODI1NjYgOC4xODI4IDguMjY1QzcuNzQzNDYgOC43MDU3MSA3Ljc0MzQ2IDkuNDE3MzMgOC4xODI4IDkuODU2NjdDOC42MjM4MiAxMC4yOTY0IDkuMzM1ODIgMTAuMjk2NCA5Ljc3NTg1IDkuODU2NjdDMTAuMjE1NiA5LjQxNzMzIDEwLjIxNTYgOC43MDUzMyA5Ljc3NTg1IDguMjY1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
+  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtdGV4dC1lZGl0b3ItaWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xNSAxNUgzdjJoMTJ2LTJ6bTAtOEgzdjJoMTJWN3pNMyAxM2gxOHYtMkgzdjJ6bTAgOGgxOHYtMkgzdjJ6TTMgM3YyaDE4VjNIM3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-toc: url(data:image/svg+xml;base64,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);
+  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-user: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE2IDdhNCA0IDAgMTEtOCAwIDQgNCAwIDAxOCAwek0xMiAxNGE3IDcgMCAwMC03IDdoMTRhNyA3IDAgMDAtNy03eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-users: url(data:image/svg+xml;base64,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);
+  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-word: url(data:image/svg+xml;base64,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);
+  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+}
 
-.bp3-icon-comparison::before{
-  content:""; }
+/* Icon CSS class declarations */
 
-.bp3-icon-compass::before{
-  content:""; }
+.jp-AddAboveIcon {
+  background-image: var(--jp-icon-add-above);
+}
 
-.bp3-icon-compressed::before{
-  content:""; }
+.jp-AddBelowIcon {
+  background-image: var(--jp-icon-add-below);
+}
 
-.bp3-icon-confirm::before{
-  content:""; }
+.jp-AddIcon {
+  background-image: var(--jp-icon-add);
+}
 
-.bp3-icon-console::before{
-  content:""; }
+.jp-BellIcon {
+  background-image: var(--jp-icon-bell);
+}
 
-.bp3-icon-contrast::before{
-  content:""; }
+.jp-BugDotIcon {
+  background-image: var(--jp-icon-bug-dot);
+}
 
-.bp3-icon-control::before{
-  content:""; }
+.jp-BugIcon {
+  background-image: var(--jp-icon-bug);
+}
 
-.bp3-icon-credit-card::before{
-  content:""; }
+.jp-BuildIcon {
+  background-image: var(--jp-icon-build);
+}
 
-.bp3-icon-cross::before{
-  content:"✗"; }
+.jp-CaretDownEmptyIcon {
+  background-image: var(--jp-icon-caret-down-empty);
+}
 
-.bp3-icon-crown::before{
-  content:""; }
+.jp-CaretDownEmptyThinIcon {
+  background-image: var(--jp-icon-caret-down-empty-thin);
+}
 
-.bp3-icon-cube::before{
-  content:""; }
+.jp-CaretDownIcon {
+  background-image: var(--jp-icon-caret-down);
+}
 
-.bp3-icon-cube-add::before{
-  content:""; }
+.jp-CaretLeftIcon {
+  background-image: var(--jp-icon-caret-left);
+}
 
-.bp3-icon-cube-remove::before{
-  content:""; }
+.jp-CaretRightIcon {
+  background-image: var(--jp-icon-caret-right);
+}
 
-.bp3-icon-curved-range-chart::before{
-  content:""; }
+.jp-CaretUpEmptyThinIcon {
+  background-image: var(--jp-icon-caret-up-empty-thin);
+}
 
-.bp3-icon-cut::before{
-  content:""; }
+.jp-CaretUpIcon {
+  background-image: var(--jp-icon-caret-up);
+}
 
-.bp3-icon-dashboard::before{
-  content:""; }
+.jp-CaseSensitiveIcon {
+  background-image: var(--jp-icon-case-sensitive);
+}
 
-.bp3-icon-data-lineage::before{
-  content:""; }
+.jp-CheckIcon {
+  background-image: var(--jp-icon-check);
+}
 
-.bp3-icon-database::before{
-  content:""; }
+.jp-CircleEmptyIcon {
+  background-image: var(--jp-icon-circle-empty);
+}
 
-.bp3-icon-delete::before{
-  content:""; }
+.jp-CircleIcon {
+  background-image: var(--jp-icon-circle);
+}
 
-.bp3-icon-delta::before{
-  content:"Δ"; }
+.jp-ClearIcon {
+  background-image: var(--jp-icon-clear);
+}
 
-.bp3-icon-derive-column::before{
-  content:""; }
+.jp-CloseIcon {
+  background-image: var(--jp-icon-close);
+}
 
-.bp3-icon-desktop::before{
-  content:""; }
+.jp-CodeCheckIcon {
+  background-image: var(--jp-icon-code-check);
+}
 
-.bp3-icon-diagnosis::before{
-  content:""; }
+.jp-CodeIcon {
+  background-image: var(--jp-icon-code);
+}
 
-.bp3-icon-diagram-tree::before{
-  content:""; }
+.jp-CollapseAllIcon {
+  background-image: var(--jp-icon-collapse-all);
+}
 
-.bp3-icon-direction-left::before{
-  content:""; }
+.jp-ConsoleIcon {
+  background-image: var(--jp-icon-console);
+}
 
-.bp3-icon-direction-right::before{
-  content:""; }
+.jp-CopyIcon {
+  background-image: var(--jp-icon-copy);
+}
 
-.bp3-icon-disable::before{
-  content:""; }
+.jp-CopyrightIcon {
+  background-image: var(--jp-icon-copyright);
+}
 
-.bp3-icon-document::before{
-  content:""; }
+.jp-CutIcon {
+  background-image: var(--jp-icon-cut);
+}
 
-.bp3-icon-document-open::before{
-  content:""; }
+.jp-DeleteIcon {
+  background-image: var(--jp-icon-delete);
+}
 
-.bp3-icon-document-share::before{
-  content:""; }
+.jp-DownloadIcon {
+  background-image: var(--jp-icon-download);
+}
 
-.bp3-icon-dollar::before{
-  content:"$"; }
+.jp-DuplicateIcon {
+  background-image: var(--jp-icon-duplicate);
+}
 
-.bp3-icon-dot::before{
-  content:"•"; }
+.jp-EditIcon {
+  background-image: var(--jp-icon-edit);
+}
 
-.bp3-icon-double-caret-horizontal::before{
-  content:""; }
+.jp-EllipsesIcon {
+  background-image: var(--jp-icon-ellipses);
+}
 
-.bp3-icon-double-caret-vertical::before{
-  content:""; }
+.jp-ErrorIcon {
+  background-image: var(--jp-icon-error);
+}
 
-.bp3-icon-double-chevron-down::before{
-  content:""; }
+.jp-ExpandAllIcon {
+  background-image: var(--jp-icon-expand-all);
+}
 
-.bp3-icon-double-chevron-left::before{
-  content:""; }
+.jp-ExtensionIcon {
+  background-image: var(--jp-icon-extension);
+}
 
-.bp3-icon-double-chevron-right::before{
-  content:""; }
+.jp-FastForwardIcon {
+  background-image: var(--jp-icon-fast-forward);
+}
 
-.bp3-icon-double-chevron-up::before{
-  content:""; }
+.jp-FileIcon {
+  background-image: var(--jp-icon-file);
+}
 
-.bp3-icon-doughnut-chart::before{
-  content:""; }
+.jp-FileUploadIcon {
+  background-image: var(--jp-icon-file-upload);
+}
 
-.bp3-icon-download::before{
-  content:""; }
+.jp-FilterDotIcon {
+  background-image: var(--jp-icon-filter-dot);
+}
 
-.bp3-icon-drag-handle-horizontal::before{
-  content:""; }
+.jp-FilterIcon {
+  background-image: var(--jp-icon-filter);
+}
 
-.bp3-icon-drag-handle-vertical::before{
-  content:""; }
+.jp-FilterListIcon {
+  background-image: var(--jp-icon-filter-list);
+}
 
-.bp3-icon-draw::before{
-  content:""; }
+.jp-FolderFavoriteIcon {
+  background-image: var(--jp-icon-folder-favorite);
+}
 
-.bp3-icon-drive-time::before{
-  content:""; }
+.jp-FolderIcon {
+  background-image: var(--jp-icon-folder);
+}
 
-.bp3-icon-duplicate::before{
-  content:""; }
+.jp-HomeIcon {
+  background-image: var(--jp-icon-home);
+}
 
-.bp3-icon-edit::before{
-  content:"✎"; }
+.jp-Html5Icon {
+  background-image: var(--jp-icon-html5);
+}
 
-.bp3-icon-eject::before{
-  content:"⏏"; }
+.jp-ImageIcon {
+  background-image: var(--jp-icon-image);
+}
 
-.bp3-icon-endorsed::before{
-  content:""; }
+.jp-InfoIcon {
+  background-image: var(--jp-icon-info);
+}
 
-.bp3-icon-envelope::before{
-  content:"✉"; }
+.jp-InspectorIcon {
+  background-image: var(--jp-icon-inspector);
+}
 
-.bp3-icon-equals::before{
-  content:""; }
+.jp-JsonIcon {
+  background-image: var(--jp-icon-json);
+}
 
-.bp3-icon-eraser::before{
-  content:""; }
+.jp-JuliaIcon {
+  background-image: var(--jp-icon-julia);
+}
 
-.bp3-icon-error::before{
-  content:""; }
+.jp-JupyterFaviconIcon {
+  background-image: var(--jp-icon-jupyter-favicon);
+}
 
-.bp3-icon-euro::before{
-  content:"€"; }
+.jp-JupyterIcon {
+  background-image: var(--jp-icon-jupyter);
+}
 
-.bp3-icon-exchange::before{
-  content:""; }
+.jp-JupyterlabWordmarkIcon {
+  background-image: var(--jp-icon-jupyterlab-wordmark);
+}
 
-.bp3-icon-exclude-row::before{
-  content:""; }
+.jp-KernelIcon {
+  background-image: var(--jp-icon-kernel);
+}
 
-.bp3-icon-expand-all::before{
-  content:""; }
+.jp-KeyboardIcon {
+  background-image: var(--jp-icon-keyboard);
+}
 
-.bp3-icon-export::before{
-  content:""; }
+.jp-LaunchIcon {
+  background-image: var(--jp-icon-launch);
+}
 
-.bp3-icon-eye-off::before{
-  content:""; }
+.jp-LauncherIcon {
+  background-image: var(--jp-icon-launcher);
+}
 
-.bp3-icon-eye-on::before{
-  content:""; }
+.jp-LineFormIcon {
+  background-image: var(--jp-icon-line-form);
+}
 
-.bp3-icon-eye-open::before{
-  content:""; }
+.jp-LinkIcon {
+  background-image: var(--jp-icon-link);
+}
 
-.bp3-icon-fast-backward::before{
-  content:""; }
+.jp-ListIcon {
+  background-image: var(--jp-icon-list);
+}
 
-.bp3-icon-fast-forward::before{
-  content:""; }
+.jp-MarkdownIcon {
+  background-image: var(--jp-icon-markdown);
+}
 
-.bp3-icon-feed::before{
-  content:""; }
+.jp-MoveDownIcon {
+  background-image: var(--jp-icon-move-down);
+}
 
-.bp3-icon-feed-subscribed::before{
-  content:""; }
+.jp-MoveUpIcon {
+  background-image: var(--jp-icon-move-up);
+}
 
-.bp3-icon-film::before{
-  content:""; }
+.jp-NewFolderIcon {
+  background-image: var(--jp-icon-new-folder);
+}
 
-.bp3-icon-filter::before{
-  content:""; }
+.jp-NotTrustedIcon {
+  background-image: var(--jp-icon-not-trusted);
+}
 
-.bp3-icon-filter-keep::before{
-  content:""; }
+.jp-NotebookIcon {
+  background-image: var(--jp-icon-notebook);
+}
 
-.bp3-icon-filter-list::before{
-  content:""; }
+.jp-NumberingIcon {
+  background-image: var(--jp-icon-numbering);
+}
 
-.bp3-icon-filter-open::before{
-  content:""; }
+.jp-OfflineBoltIcon {
+  background-image: var(--jp-icon-offline-bolt);
+}
 
-.bp3-icon-filter-remove::before{
-  content:""; }
+.jp-PaletteIcon {
+  background-image: var(--jp-icon-palette);
+}
 
-.bp3-icon-flag::before{
-  content:"⚑"; }
+.jp-PasteIcon {
+  background-image: var(--jp-icon-paste);
+}
 
-.bp3-icon-flame::before{
-  content:""; }
+.jp-PdfIcon {
+  background-image: var(--jp-icon-pdf);
+}
 
-.bp3-icon-flash::before{
-  content:""; }
+.jp-PythonIcon {
+  background-image: var(--jp-icon-python);
+}
 
-.bp3-icon-floppy-disk::before{
-  content:""; }
+.jp-RKernelIcon {
+  background-image: var(--jp-icon-r-kernel);
+}
 
-.bp3-icon-flow-branch::before{
-  content:""; }
+.jp-ReactIcon {
+  background-image: var(--jp-icon-react);
+}
 
-.bp3-icon-flow-end::before{
-  content:""; }
+.jp-RedoIcon {
+  background-image: var(--jp-icon-redo);
+}
 
-.bp3-icon-flow-linear::before{
-  content:""; }
+.jp-RefreshIcon {
+  background-image: var(--jp-icon-refresh);
+}
 
-.bp3-icon-flow-review::before{
-  content:""; }
+.jp-RegexIcon {
+  background-image: var(--jp-icon-regex);
+}
 
-.bp3-icon-flow-review-branch::before{
-  content:""; }
+.jp-RunIcon {
+  background-image: var(--jp-icon-run);
+}
 
-.bp3-icon-flows::before{
-  content:""; }
+.jp-RunningIcon {
+  background-image: var(--jp-icon-running);
+}
 
-.bp3-icon-folder-close::before{
-  content:""; }
+.jp-SaveIcon {
+  background-image: var(--jp-icon-save);
+}
 
-.bp3-icon-folder-new::before{
-  content:""; }
+.jp-SearchIcon {
+  background-image: var(--jp-icon-search);
+}
 
-.bp3-icon-folder-open::before{
-  content:""; }
+.jp-SettingsIcon {
+  background-image: var(--jp-icon-settings);
+}
 
-.bp3-icon-folder-shared::before{
-  content:""; }
+.jp-ShareIcon {
+  background-image: var(--jp-icon-share);
+}
 
-.bp3-icon-folder-shared-open::before{
-  content:""; }
+.jp-SpreadsheetIcon {
+  background-image: var(--jp-icon-spreadsheet);
+}
 
-.bp3-icon-follower::before{
-  content:""; }
+.jp-StopIcon {
+  background-image: var(--jp-icon-stop);
+}
 
-.bp3-icon-following::before{
-  content:""; }
+.jp-TabIcon {
+  background-image: var(--jp-icon-tab);
+}
 
-.bp3-icon-font::before{
-  content:""; }
+.jp-TableRowsIcon {
+  background-image: var(--jp-icon-table-rows);
+}
 
-.bp3-icon-fork::before{
-  content:""; }
+.jp-TagIcon {
+  background-image: var(--jp-icon-tag);
+}
 
-.bp3-icon-form::before{
-  content:""; }
+.jp-TerminalIcon {
+  background-image: var(--jp-icon-terminal);
+}
 
-.bp3-icon-full-circle::before{
-  content:""; }
+.jp-TextEditorIcon {
+  background-image: var(--jp-icon-text-editor);
+}
 
-.bp3-icon-full-stacked-chart::before{
-  content:""; }
+.jp-TocIcon {
+  background-image: var(--jp-icon-toc);
+}
 
-.bp3-icon-fullscreen::before{
-  content:""; }
+.jp-TreeViewIcon {
+  background-image: var(--jp-icon-tree-view);
+}
 
-.bp3-icon-function::before{
-  content:""; }
+.jp-TrustedIcon {
+  background-image: var(--jp-icon-trusted);
+}
 
-.bp3-icon-gantt-chart::before{
-  content:""; }
+.jp-UndoIcon {
+  background-image: var(--jp-icon-undo);
+}
 
-.bp3-icon-geolocation::before{
-  content:""; }
+.jp-UserIcon {
+  background-image: var(--jp-icon-user);
+}
 
-.bp3-icon-geosearch::before{
-  content:""; }
+.jp-UsersIcon {
+  background-image: var(--jp-icon-users);
+}
 
-.bp3-icon-git-branch::before{
-  content:""; }
+.jp-VegaIcon {
+  background-image: var(--jp-icon-vega);
+}
 
-.bp3-icon-git-commit::before{
-  content:""; }
+.jp-WordIcon {
+  background-image: var(--jp-icon-word);
+}
 
-.bp3-icon-git-merge::before{
-  content:""; }
+.jp-YamlIcon {
+  background-image: var(--jp-icon-yaml);
+}
 
-.bp3-icon-git-new-branch::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-git-pull::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-git-push::before{
-  content:""; }
+.jp-Icon,
+.jp-MaterialIcon {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-git-repo::before{
-  content:""; }
+.jp-Icon-cover {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: cover;
+}
 
-.bp3-icon-glass::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for specific CSS icon sizes
+ */
 
-.bp3-icon-globe::before{
-  content:""; }
+.jp-Icon-16 {
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-globe-network::before{
-  content:""; }
+.jp-Icon-18 {
+  background-size: 18px;
+  min-width: 18px;
+  min-height: 18px;
+}
 
-.bp3-icon-graph::before{
-  content:""; }
+.jp-Icon-20 {
+  background-size: 20px;
+  min-width: 20px;
+  min-height: 20px;
+}
 
-.bp3-icon-graph-remove::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-greater-than::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton {
+  align-items: center;
+  display: flex;
+  padding: 4px;
+  padding-bottom: 5px;
+  margin-right: 1px;
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-greater-than-or-equal-to::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton:hover {
+  background-color: var(--jp-layout-color1);
+}
 
-.bp3-icon-grid::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-tab {
+  width: var(--jp-private-horizontal-tab-width);
+}
 
-.bp3-icon-grid-view::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-content {
+  flex: unset;
+}
 
-.bp3-icon-group-objects::before{
-  content:""; }
+.lm-DockPanel-tabBar[data-orientation='horizontal'] {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-grouped-bar-chart::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-hand::before{
-  content:""; }
+/**
+ * Support for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-hand-down::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-hand-left::before{
-  content:""; }
+.jp-icon1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-hand-right::before{
-  content:""; }
+.jp-icon2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-hand-up::before{
-  content:""; }
+.jp-icon3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-header::before{
-  content:""; }
+.jp-icon4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-header-one::before{
-  content:""; }
+.jp-icon0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-header-two::before{
-  content:""; }
+.jp-icon1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-headset::before{
-  content:""; }
+.jp-icon2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-heart::before{
-  content:"♥"; }
+.jp-icon3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-heart-broken::before{
-  content:""; }
+.jp-icon4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-heat-grid::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-accent0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-heatmap::before{
-  content:""; }
+.jp-icon-accent1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-help::before{
-  content:"?"; }
+.jp-icon-accent2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-helper-management::before{
-  content:""; }
+.jp-icon-accent3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-highlight::before{
-  content:""; }
+.jp-icon-accent4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-history::before{
-  content:""; }
+.jp-icon-accent0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-home::before{
-  content:"⌂"; }
+.jp-icon-accent1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-horizontal-bar-chart::before{
-  content:""; }
+.jp-icon-accent2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-horizontal-bar-chart-asc::before{
-  content:""; }
+.jp-icon-accent3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-horizontal-bar-chart-desc::before{
-  content:""; }
+.jp-icon-accent4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-horizontal-distribution::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-none[fill] {
+  fill: none;
+}
 
-.bp3-icon-id-number::before{
-  content:""; }
+.jp-icon-none[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-image-rotate-left::before{
-  content:""; }
+/* brand icon colors. Same for light and dark */
+.jp-icon-brand0[fill] {
+  fill: var(--jp-brand-color0);
+}
 
-.bp3-icon-image-rotate-right::before{
-  content:""; }
+.jp-icon-brand1[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-import::before{
-  content:""; }
+.jp-icon-brand2[fill] {
+  fill: var(--jp-brand-color2);
+}
 
-.bp3-icon-inbox::before{
-  content:""; }
+.jp-icon-brand3[fill] {
+  fill: var(--jp-brand-color3);
+}
 
-.bp3-icon-inbox-filtered::before{
-  content:""; }
+.jp-icon-brand4[fill] {
+  fill: var(--jp-brand-color4);
+}
 
-.bp3-icon-inbox-geo::before{
-  content:""; }
+.jp-icon-brand0[stroke] {
+  stroke: var(--jp-brand-color0);
+}
 
-.bp3-icon-inbox-search::before{
-  content:""; }
+.jp-icon-brand1[stroke] {
+  stroke: var(--jp-brand-color1);
+}
 
-.bp3-icon-inbox-update::before{
-  content:""; }
+.jp-icon-brand2[stroke] {
+  stroke: var(--jp-brand-color2);
+}
 
-.bp3-icon-info-sign::before{
-  content:"ℹ"; }
+.jp-icon-brand3[stroke] {
+  stroke: var(--jp-brand-color3);
+}
 
-.bp3-icon-inheritance::before{
-  content:""; }
+.jp-icon-brand4[stroke] {
+  stroke: var(--jp-brand-color4);
+}
 
-.bp3-icon-inner-join::before{
-  content:""; }
+/* warn icon colors. Same for light and dark */
+.jp-icon-warn0[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-insert::before{
-  content:""; }
+.jp-icon-warn1[fill] {
+  fill: var(--jp-warn-color1);
+}
 
-.bp3-icon-intersection::before{
-  content:""; }
+.jp-icon-warn2[fill] {
+  fill: var(--jp-warn-color2);
+}
 
-.bp3-icon-ip-address::before{
-  content:""; }
+.jp-icon-warn3[fill] {
+  fill: var(--jp-warn-color3);
+}
 
-.bp3-icon-issue::before{
-  content:""; }
+.jp-icon-warn0[stroke] {
+  stroke: var(--jp-warn-color0);
+}
 
-.bp3-icon-issue-closed::before{
-  content:""; }
+.jp-icon-warn1[stroke] {
+  stroke: var(--jp-warn-color1);
+}
 
-.bp3-icon-issue-new::before{
-  content:""; }
+.jp-icon-warn2[stroke] {
+  stroke: var(--jp-warn-color2);
+}
 
-.bp3-icon-italic::before{
-  content:""; }
+.jp-icon-warn3[stroke] {
+  stroke: var(--jp-warn-color3);
+}
 
-.bp3-icon-join-table::before{
-  content:""; }
+/* icon colors that contrast well with each other and most backgrounds */
+.jp-icon-contrast0[fill] {
+  fill: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key::before{
-  content:""; }
+.jp-icon-contrast1[fill] {
+  fill: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-backspace::before{
-  content:""; }
+.jp-icon-contrast2[fill] {
+  fill: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-command::before{
-  content:""; }
+.jp-icon-contrast3[fill] {
+  fill: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-control::before{
-  content:""; }
-
-.bp3-icon-key-delete::before{
-  content:""; }
+.jp-icon-contrast0[stroke] {
+  stroke: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key-enter::before{
-  content:""; }
+.jp-icon-contrast1[stroke] {
+  stroke: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-escape::before{
-  content:""; }
+.jp-icon-contrast2[stroke] {
+  stroke: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-option::before{
-  content:""; }
+.jp-icon-contrast3[stroke] {
+  stroke: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-shift::before{
-  content:""; }
+.jp-icon-dot[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-key-tab::before{
-  content:""; }
+.jp-jupyter-icon-color[fill] {
+  fill: var(--jp-jupyter-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-known-vehicle::before{
-  content:""; }
+.jp-notebook-icon-color[fill] {
+  fill: var(--jp-notebook-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-lab-test::before{
-  content:""; }
+.jp-json-icon-color[fill] {
+  fill: var(--jp-json-icon-color, var(--jp-warn-color1));
+}
 
-.bp3-icon-label::before{
-  content:""; }
+.jp-console-icon-color[fill] {
+  fill: var(--jp-console-icon-color, white);
+}
 
-.bp3-icon-layer::before{
-  content:""; }
+.jp-console-icon-background-color[fill] {
+  fill: var(--jp-console-icon-background-color, var(--jp-brand-color1));
+}
 
-.bp3-icon-layers::before{
-  content:""; }
+.jp-terminal-icon-color[fill] {
+  fill: var(--jp-terminal-icon-color, var(--jp-layout-color2));
+}
 
-.bp3-icon-layout::before{
-  content:""; }
+.jp-terminal-icon-background-color[fill] {
+  fill: var(
+    --jp-terminal-icon-background-color,
+    var(--jp-inverse-layout-color2)
+  );
+}
 
-.bp3-icon-layout-auto::before{
-  content:""; }
+.jp-text-editor-icon-color[fill] {
+  fill: var(--jp-text-editor-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-balloon::before{
-  content:""; }
+.jp-inspector-icon-color[fill] {
+  fill: var(--jp-inspector-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-circle::before{
-  content:""; }
+/* CSS for icons in selected filebrowser listing items */
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-layout-grid::before{
-  content:""; }
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-layout-group-by::before{
-  content:""; }
+/* stylelint-disable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-hierarchy::before{
-  content:""; }
+/**
+* TODO: come up with non css-hack solution for showing the busy icon on top
+*  of the close icon
+* CSS for complex behavior of close icon of tabs in the main area tabbar
+*/
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon3[fill] {
+  fill: none;
+}
 
-.bp3-icon-layout-linear::before{
-  content:""; }
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon-busy[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-layout-skew-grid::before{
-  content:""; }
+/* stylelint-enable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-sorted-clusters::before{
-  content:""; }
+/* CSS for icons in status bar */
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-learning::before{
-  content:""; }
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-left-join::before{
-  content:""; }
+/* special handling for splash icon CSS. While the theme CSS reloads during
+   splash, the splash icon can loose theming. To prevent that, we set a
+   default for its color variable */
+:root {
+  --jp-warn-color0: var(--md-orange-700);
+}
 
-.bp3-icon-less-than::before{
-  content:""; }
+/* not sure what to do with this one, used in filebrowser listing */
+.jp-DragIcon {
+  margin-right: 4px;
+}
 
-.bp3-icon-less-than-or-equal-to::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-lifesaver::before{
-  content:""; }
+/**
+ * Support for alt colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-lightbulb::before{
-  content:""; }
+/* alt recolor the primary elements of an icon */
+.jp-icon-alt .jp-icon0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-link::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-list::before{
-  content:"☰"; }
+.jp-icon-alt .jp-icon2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-list-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-list-detail-view::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-locate::before{
-  content:""; }
+.jp-icon-alt .jp-icon0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-lock::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-log-in::before{
-  content:""; }
+.jp-icon-alt .jp-icon2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-log-out::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-manual::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-manually-entered-data::before{
-  content:""; }
+/* alt recolor the accent elements of an icon */
+.jp-icon-alt .jp-icon-accent0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-map::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-map-create::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-map-marker::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-maximize::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-media::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-menu::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-menu-closed::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-menu-open::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-merge-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-merge-links::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-minimize::before{
-  content:""; }
+.jp-icon-hoverShow:not(:hover) .jp-icon-hoverShow-content {
+  display: none !important;
+}
 
-.bp3-icon-minus::before{
-  content:"−"; }
+/**
+ * Support for hover colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-mobile-phone::before{
-  content:""; }
+/**
+ * regular colors
+ */
 
-.bp3-icon-mobile-video::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon-hover :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-moon::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-more::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-mountain::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-move::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-mugshot::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-multi-select::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-music::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-new-drawing::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-new-grid-item::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-new-layer::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-layers::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-new-link::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-new-object::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-new-person::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-new-prescription::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-text-box::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-ninja::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-not-equal-to::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-notifications::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-notifications-updated::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-hover :hover .jp-icon-none-hover[fill] {
+  fill: none;
+}
 
-.bp3-icon-numbered-list::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-numerical::before{
-  content:""; }
+/**
+ * inverse colors
+ */
 
-.bp3-icon-office::before{
-  content:""; }
+/* inverse recolor the primary elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-offline::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-oil-field::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-one-column::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-outdated::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-page-layout::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-panel-stats::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-panel-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-paperclip::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-paragraph::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-path::before{
-  content:""; }
+/* inverse recolor the accent elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-path-search::before{
-  content:""; }
-
-.bp3-icon-pause::before{
-  content:""; }
-
-.bp3-icon-people::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-percentage::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-person::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-phone::before{
-  content:"☎"; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-pie-chart::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-pin::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-pivot::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-pivot-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-play::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-plus::before{
-  content:"+"; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-polygon-filter::before{
-  content:""; }
+.jp-IFrame {
+  width: 100%;
+  height: 100%;
+}
 
-.bp3-icon-power::before{
-  content:""; }
+.jp-IFrame > iframe {
+  border: none;
+}
 
-.bp3-icon-predictive-analysis::before{
-  content:""; }
+/*
+When drag events occur, `lm-mod-override-cursor` is added to the body.
+Because iframes steal all cursor events, the following two rules are necessary
+to suppress pointer events while resize drags are occurring. There may be a
+better solution to this problem.
+*/
+body.lm-mod-override-cursor .jp-IFrame {
+  position: relative;
+}
 
-.bp3-icon-prescription::before{
-  content:""; }
+body.lm-mod-override-cursor .jp-IFrame::before {
+  content: '';
+  position: absolute;
+  top: 0;
+  left: 0;
+  right: 0;
+  bottom: 0;
+  background: transparent;
+}
 
-.bp3-icon-presentation::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-print::before{
-  content:"⎙"; }
+.jp-HoverBox {
+  position: fixed;
+}
 
-.bp3-icon-projects::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-properties::before{
-  content:""; }
+.jp-FormGroup-content fieldset {
+  border: none;
+  padding: 0;
+  min-width: 0;
+  width: 100%;
+}
 
-.bp3-icon-property::before{
-  content:""; }
+/* stylelint-disable selector-max-type */
 
-.bp3-icon-publish-function::before{
-  content:""; }
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper input,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper select,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper textarea {
+  font-size: var(--jp-content-font-size2);
+  border-color: var(--jp-input-border-color);
+  border-style: solid;
+  border-radius: var(--jp-border-radius);
+  border-width: 1px;
+  padding: 6px 8px;
+  background: none;
+  color: var(--jp-ui-font-color0);
+  height: inherit;
+}
 
-.bp3-icon-pulse::before{
-  content:""; }
+.jp-FormGroup-content fieldset input[type='checkbox'] {
+  position: relative;
+  top: 2px;
+  margin-left: 0;
+}
 
-.bp3-icon-random::before{
-  content:""; }
+.jp-FormGroup-content button.jp-mod-styled {
+  cursor: pointer;
+}
 
-.bp3-icon-record::before{
-  content:""; }
+.jp-FormGroup-content .checkbox label {
+  cursor: pointer;
+  font-size: var(--jp-content-font-size1);
+}
 
-.bp3-icon-redo::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > legend {
+  display: none;
+}
 
-.bp3-icon-refresh::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > p {
+  display: none;
+}
 
-.bp3-icon-regression-chart::before{
-  content:""; }
+/** copy of `input.jp-mod-styled:focus` style */
+.jp-FormGroup-content fieldset input:focus,
+.jp-FormGroup-content fieldset select:focus {
+  -moz-outline-radius: unset;
+  outline: var(--jp-border-width) solid var(--md-blue-500);
+  outline-offset: -1px;
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-remove::before{
-  content:""; }
+.jp-FormGroup-content fieldset input:hover:not(:focus),
+.jp-FormGroup-content fieldset select:hover:not(:focus) {
+  background-color: var(--jp-border-color2);
+}
 
-.bp3-icon-remove-column::before{
-  content:""; }
+/* stylelint-enable selector-max-type */
 
-.bp3-icon-remove-column-left::before{
-  content:""; }
+.jp-FormGroup-content .checkbox .field-description {
+  /* Disable default description field for checkbox:
+   because other widgets do not have description fields,
+   we add descriptions to each widget on the field level.
+  */
+  display: none;
+}
 
-.bp3-icon-remove-column-right::before{
-  content:""; }
+.jp-FormGroup-content #root__description {
+  display: none;
+}
 
-.bp3-icon-remove-row-bottom::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator {
+  width: 5px;
+  background-color: var(--jp-brand-color2);
+  margin-top: 0;
+  margin-left: calc(var(--jp-private-settingeditor-modifier-indent) * -1);
+  flex-shrink: 0;
+}
 
-.bp3-icon-remove-row-top::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator.jp-errorIndicator {
+  background-color: var(--jp-error-color0);
+  margin-right: 0.5em;
+}
 
-.bp3-icon-repeat::before{
-  content:""; }
+/* RJSF ARRAY style */
 
-.bp3-icon-reset::before{
-  content:""; }
+.jp-arrayFieldWrapper legend {
+  font-size: var(--jp-content-font-size2);
+  color: var(--jp-ui-font-color0);
+  flex-basis: 100%;
+  padding: 4px 0;
+  font-weight: var(--jp-content-heading-font-weight);
+  border-bottom: 1px solid var(--jp-border-color2);
+}
 
-.bp3-icon-resolve::before{
-  content:""; }
+.jp-arrayFieldWrapper .field-description {
+  padding: 4px 0;
+  white-space: pre-wrap;
+}
 
-.bp3-icon-rig::before{
-  content:""; }
+.jp-arrayFieldWrapper .array-item {
+  width: 100%;
+  border: 1px solid var(--jp-border-color2);
+  border-radius: 4px;
+  margin: 4px;
+}
 
-.bp3-icon-right-join::before{
-  content:""; }
+.jp-ArrayOperations {
+  display: flex;
+  margin-left: 8px;
+}
 
-.bp3-icon-ring::before{
-  content:""; }
+.jp-ArrayOperationsButton {
+  margin: 2px;
+}
 
-.bp3-icon-rotate-document::before{
-  content:""; }
+.jp-ArrayOperationsButton .jp-icon3[fill] {
+  fill: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-rotate-page::before{
-  content:""; }
+button.jp-ArrayOperationsButton.jp-mod-styled:disabled {
+  cursor: not-allowed;
+  opacity: 0.5;
+}
 
-.bp3-icon-satellite::before{
-  content:""; }
+/* RJSF form validation error */
 
-.bp3-icon-saved::before{
-  content:""; }
+.jp-FormGroup-content .validationErrors {
+  color: var(--jp-error-color0);
+}
 
-.bp3-icon-scatter-plot::before{
-  content:""; }
+/* Hide panel level error as duplicated the field level error */
+.jp-FormGroup-content .panel.errors {
+  display: none;
+}
 
-.bp3-icon-search::before{
-  content:""; }
+/* RJSF normal content (settings-editor) */
 
-.bp3-icon-search-around::before{
-  content:""; }
+.jp-FormGroup-contentNormal {
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-search-template::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-contentItem {
+  margin-left: 7px;
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-search-text::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-description {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-segmented-control::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-default {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-select::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-fieldLabel {
+  font-size: var(--jp-content-font-size1);
+  font-weight: normal;
+  min-width: 120px;
+}
 
-.bp3-icon-selection::before{
-  content:"⦿"; }
+.jp-FormGroup-contentNormal fieldset:not(:first-child) {
+  margin-left: 7px;
+}
 
-.bp3-icon-send-to::before{
-  content:""; }
+.jp-FormGroup-contentNormal .field-array-of-string .array-item {
+  /* Display `jp-ArrayOperations` buttons side-by-side with content except
+    for small screens where flex-wrap will place them one below the other.
+  */
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-send-to-graph::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-objectFieldWrapper .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-send-to-map::before{
-  content:""; }
+/* RJSF compact content (metadata-form) */
 
-.bp3-icon-series-add::before{
-  content:""; }
+.jp-FormGroup-content.jp-FormGroup-contentCompact {
+  width: 100%;
+}
 
-.bp3-icon-series-configuration::before{
-  content:""; }
+.jp-FormGroup-contentCompact .form-group {
+  display: flex;
+  padding: 0.5em 0.2em 0.5em 0;
+}
 
-.bp3-icon-series-derived::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-FormGroup-compactTitle
+  .jp-FormGroup-description {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-series-filtered::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-FormGroup-fieldLabel {
+  padding-bottom: 0.3em;
+}
 
-.bp3-icon-series-search::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-inputFieldWrapper .form-control {
+  width: 100%;
+  box-sizing: border-box;
+}
 
-.bp3-icon-settings::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-arrayFieldWrapper .jp-FormGroup-compactTitle {
+  padding-bottom: 7px;
+}
 
-.bp3-icon-share::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-objectFieldWrapper
+  .jp-objectFieldWrapper
+  .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-shield::before{
-  content:""; }
+.jp-FormGroup-contentCompact ul.error-detail {
+  margin-block-start: 0.5em;
+  margin-block-end: 0.5em;
+  padding-inline-start: 1em;
+}
 
-.bp3-icon-shop::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-.bp3-icon-shopping-cart::before{
-  content:""; }
+.jp-SidePanel {
+  display: flex;
+  flex-direction: column;
+  min-width: var(--jp-sidebar-min-width);
+  overflow-y: auto;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+  font-size: var(--jp-ui-font-size1);
+}
 
-.bp3-icon-signal-search::before{
-  content:""; }
+.jp-SidePanel-header {
+  flex: 0 0 auto;
+  display: flex;
+  border-bottom: var(--jp-border-width) solid var(--jp-border-color2);
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin: 0;
+  padding: 2px;
+  text-transform: uppercase;
+}
 
-.bp3-icon-sim-card::before{
-  content:""; }
+.jp-SidePanel-toolbar {
+  flex: 0 0 auto;
+}
 
-.bp3-icon-slash::before{
-  content:""; }
+.jp-SidePanel-content {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-small-cross::before{
-  content:""; }
+.jp-SidePanel-toolbar,
+.jp-AccordionPanel-toolbar {
+  height: var(--jp-private-toolbar-height);
+}
 
-.bp3-icon-small-minus::before{
-  content:""; }
+.jp-SidePanel-toolbar.jp-Toolbar-micro {
+  display: none;
+}
 
-.bp3-icon-small-plus::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-title {
+  box-sizing: border-box;
+  line-height: 25px;
+  margin: 0;
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  font-size: var(--jp-ui-font-size0);
+}
 
-.bp3-icon-small-tick::before{
-  content:""; }
+.jp-AccordionPanel-title {
+  cursor: pointer;
+  user-select: none;
+  -moz-user-select: none;
+  -webkit-user-select: none;
+  text-transform: uppercase;
+}
 
-.bp3-icon-snowflake::before{
-  content:""; }
+.lm-AccordionPanel[data-orientation='horizontal'] > .jp-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
 
-.bp3-icon-social-media::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleLabel {
+  user-select: none;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+  overflow: hidden;
+}
 
-.bp3-icon-sort::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleCollapser {
+  transform: rotate(-90deg);
+  margin: auto 0;
+  height: 16px;
+}
 
-.bp3-icon-sort-alphabetical::before{
-  content:""; }
+.jp-AccordionPanel-title.lm-mod-expanded .lm-AccordionPanel-titleCollapser {
+  transform: rotate(0deg);
+}
 
-.bp3-icon-sort-alphabetical-desc::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-toolbar {
+  background: none;
+  box-shadow: none;
+  border: none;
+  margin-left: auto;
+}
 
-.bp3-icon-sort-asc::before{
-  content:""; }
+.lm-AccordionPanel .lm-SplitPanel-handle:hover {
+  background: var(--jp-layout-color3);
+}
 
-.bp3-icon-sort-desc::before{
-  content:""; }
+.jp-text-truncated {
+  overflow: hidden;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+}
 
-.bp3-icon-sort-numerical::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-sort-numerical-desc::before{
-  content:""; }
+.jp-Spinner {
+  position: absolute;
+  display: flex;
+  justify-content: center;
+  align-items: center;
+  z-index: 10;
+  left: 0;
+  top: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-layout-color0);
+  outline: none;
+}
 
-.bp3-icon-split-columns::before{
-  content:""; }
+.jp-SpinnerContent {
+  font-size: 10px;
+  margin: 50px auto;
+  text-indent: -9999em;
+  width: 3em;
+  height: 3em;
+  border-radius: 50%;
+  background: var(--jp-brand-color3);
+  background: linear-gradient(
+    to right,
+    #f37626 10%,
+    rgba(255, 255, 255, 0) 42%
+  );
+  position: relative;
+  animation: load3 1s infinite linear, fadeIn 1s;
+}
 
-.bp3-icon-square::before{
-  content:""; }
+.jp-SpinnerContent::before {
+  width: 50%;
+  height: 50%;
+  background: #f37626;
+  border-radius: 100% 0 0;
+  position: absolute;
+  top: 0;
+  left: 0;
+  content: '';
+}
 
-.bp3-icon-stacked-chart::before{
-  content:""; }
-
-.bp3-icon-star::before{
-  content:"★"; }
+.jp-SpinnerContent::after {
+  background: var(--jp-layout-color0);
+  width: 75%;
+  height: 75%;
+  border-radius: 50%;
+  content: '';
+  margin: auto;
+  position: absolute;
+  top: 0;
+  left: 0;
+  bottom: 0;
+  right: 0;
+}
 
-.bp3-icon-star-empty::before{
-  content:"☆"; }
+@keyframes fadeIn {
+  0% {
+    opacity: 0;
+  }
 
-.bp3-icon-step-backward::before{
-  content:""; }
+  100% {
+    opacity: 1;
+  }
+}
 
-.bp3-icon-step-chart::before{
-  content:""; }
+@keyframes load3 {
+  0% {
+    transform: rotate(0deg);
+  }
 
-.bp3-icon-step-forward::before{
-  content:""; }
+  100% {
+    transform: rotate(360deg);
+  }
+}
 
-.bp3-icon-stop::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-stopwatch::before{
-  content:""; }
+button.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: none;
+  box-sizing: border-box;
+  text-align: center;
+  line-height: 32px;
+  height: 32px;
+  padding: 0 12px;
+  letter-spacing: 0.8px;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-strikethrough::before{
-  content:""; }
+input.jp-mod-styled {
+  background: var(--jp-input-background);
+  height: 28px;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+  padding-left: 7px;
+  padding-right: 7px;
+  font-size: var(--jp-ui-font-size2);
+  color: var(--jp-ui-font-color0);
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-style::before{
-  content:""; }
+input[type='checkbox'].jp-mod-styled {
+  appearance: checkbox;
+  -webkit-appearance: checkbox;
+  -moz-appearance: checkbox;
+  height: auto;
+}
 
-.bp3-icon-swap-horizontal::before{
-  content:""; }
+input.jp-mod-styled:focus {
+  border: var(--jp-border-width) solid var(--md-blue-500);
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-swap-vertical::before{
-  content:""; }
+.jp-select-wrapper {
+  display: flex;
+  position: relative;
+  flex-direction: column;
+  padding: 1px;
+  background-color: var(--jp-layout-color1);
+  box-sizing: border-box;
+  margin-bottom: 12px;
+}
 
-.bp3-icon-symbol-circle::before{
-  content:""; }
+.jp-select-wrapper:not(.multiple) {
+  height: 28px;
+}
 
-.bp3-icon-symbol-cross::before{
-  content:""; }
+.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
+  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
+  box-shadow: var(--jp-input-box-shadow);
+  background-color: var(--jp-input-active-background);
+}
 
-.bp3-icon-symbol-diamond::before{
-  content:""; }
+select.jp-mod-styled:hover {
+  cursor: pointer;
+  color: var(--jp-ui-font-color0);
+  background-color: var(--jp-input-hover-background);
+  box-shadow: inset 0 0 1px rgba(0, 0, 0, 0.5);
+}
 
-.bp3-icon-symbol-square::before{
-  content:""; }
+select.jp-mod-styled {
+  flex: 1 1 auto;
+  width: 100%;
+  font-size: var(--jp-ui-font-size2);
+  background: var(--jp-input-background);
+  color: var(--jp-ui-font-color0);
+  padding: 0 25px 0 8px;
+  border: var(--jp-border-width) solid var(--jp-input-border-color);
+  border-radius: 0;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-symbol-triangle-down::before{
-  content:""; }
+select.jp-mod-styled:not([multiple]) {
+  height: 32px;
+}
 
-.bp3-icon-symbol-triangle-up::before{
-  content:""; }
+select.jp-mod-styled[multiple] {
+  max-height: 200px;
+  overflow-y: auto;
+}
 
-.bp3-icon-tag::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-take-action::before{
-  content:""; }
+.jp-switch {
+  display: flex;
+  align-items: center;
+  padding-left: 4px;
+  padding-right: 4px;
+  font-size: var(--jp-ui-font-size1);
+  background-color: transparent;
+  color: var(--jp-ui-font-color1);
+  border: none;
+  height: 20px;
+}
 
-.bp3-icon-taxi::before{
-  content:""; }
+.jp-switch:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-text-highlight::before{
-  content:""; }
+.jp-switch-label {
+  margin-right: 5px;
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-th::before{
-  content:""; }
+.jp-switch-track {
+  cursor: pointer;
+  background-color: var(--jp-switch-color, var(--jp-border-color1));
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 34px;
+  height: 16px;
+  width: 35px;
+  position: relative;
+}
 
-.bp3-icon-th-derived::before{
-  content:""; }
+.jp-switch-track::before {
+  content: '';
+  position: absolute;
+  height: 10px;
+  width: 10px;
+  margin: 3px;
+  left: 0;
+  background-color: var(--jp-ui-inverse-font-color1);
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 50%;
+}
 
-.bp3-icon-th-disconnect::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track {
+  background-color: var(--jp-switch-true-position-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-th-filtered::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track::before {
+  /* track width (35) - margins (3 + 3) - thumb width (10) */
+  left: 19px;
+}
 
-.bp3-icon-th-list::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-thumbs-down::before{
-  content:""; }
+:root {
+  --jp-private-toolbar-height: calc(
+    28px + var(--jp-border-width)
+  ); /* leave 28px for content */
+}
 
-.bp3-icon-thumbs-up::before{
-  content:""; }
+.jp-Toolbar {
+  color: var(--jp-ui-font-color1);
+  flex: 0 0 auto;
+  display: flex;
+  flex-direction: row;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: 2px;
+  z-index: 8;
+  overflow-x: hidden;
+}
 
-.bp3-icon-tick::before{
-  content:"✓"; }
+/* Toolbar items */
 
-.bp3-icon-tick-circle::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
+  flex-grow: 1;
+  flex-shrink: 1;
+}
 
-.bp3-icon-time::before{
-  content:"⏲"; }
+.jp-Toolbar-item.jp-Toolbar-kernelStatus {
+  display: inline-block;
+  width: 32px;
+  background-repeat: no-repeat;
+  background-position: center;
+  background-size: 16px;
+}
 
-.bp3-icon-timeline-area-chart::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item {
+  flex: 0 0 auto;
+  display: flex;
+  padding-left: 1px;
+  padding-right: 1px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: var(--jp-private-toolbar-height);
+  height: 100%;
+}
 
-.bp3-icon-timeline-bar-chart::before{
-  content:""; }
+/* Toolbar buttons */
 
-.bp3-icon-timeline-events::before{
-  content:""; }
+/* This is the div we use to wrap the react component into a Widget */
+div.jp-ToolbarButton {
+  color: transparent;
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0;
+  margin: 0;
+}
 
-.bp3-icon-timeline-line-chart::before{
-  content:""; }
+button.jp-ToolbarButtonComponent {
+  background: var(--jp-layout-color1);
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0 6px;
+  margin: 0;
+  height: 24px;
+  border-radius: var(--jp-border-radius);
+  display: flex;
+  align-items: center;
+  text-align: center;
+  font-size: 14px;
+  min-width: unset;
+  min-height: unset;
+}
 
-.bp3-icon-tint::before{
-  content:""; }
+button.jp-ToolbarButtonComponent:disabled {
+  opacity: 0.4;
+}
 
-.bp3-icon-torch::before{
-  content:""; }
+button.jp-ToolbarButtonComponent > span {
+  padding: 0;
+  flex: 0 0 auto;
+}
 
-.bp3-icon-tractor::before{
-  content:""; }
+button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
+  font-size: var(--jp-ui-font-size1);
+  line-height: 100%;
+  padding-left: 2px;
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-train::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar.jp-Toolbar-micro {
+  padding: 0;
+  min-height: 0;
+}
 
-.bp3-icon-translate::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar {
+  border: none;
+  box-shadow: none;
+}
 
-.bp3-icon-trash::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-WindowedPanel-outer {
+  position: relative;
+  overflow-y: auto;
+}
+
+.jp-WindowedPanel-inner {
+  position: relative;
+}
+
+.jp-WindowedPanel-window {
+  position: absolute;
+  left: 0;
+  right: 0;
+  overflow: visible;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/* Sibling imports */
+
+body {
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+}
+
+/* Disable native link decoration styles everywhere outside of dialog boxes */
+a {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-tree::before{
-  content:""; }
+a:hover {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-trending-down::before{
-  content:""; }
+/* Accessibility for links inside dialog box text */
+.jp-Dialog-content a {
+  text-decoration: revert;
+  color: var(--jp-content-link-color);
+}
 
-.bp3-icon-trending-up::before{
-  content:""; }
+.jp-Dialog-content a:hover {
+  text-decoration: revert;
+}
 
-.bp3-icon-truck::before{
-  content:""; }
+/* Styles for ui-components */
+.jp-Button {
+  color: var(--jp-ui-font-color2);
+  border-radius: var(--jp-border-radius);
+  padding: 0 12px;
+  font-size: var(--jp-ui-font-size1);
 
-.bp3-icon-two-columns::before{
-  content:""; }
+  /* Copy from blueprint 3 */
+  display: inline-flex;
+  flex-direction: row;
+  border: none;
+  cursor: pointer;
+  align-items: center;
+  justify-content: center;
+  text-align: left;
+  vertical-align: middle;
+  min-height: 30px;
+  min-width: 30px;
+}
 
-.bp3-icon-unarchive::before{
-  content:""; }
+.jp-Button:disabled {
+  cursor: not-allowed;
+}
 
-.bp3-icon-underline::before{
-  content:"⎁"; }
+.jp-Button:empty {
+  padding: 0 !important;
+}
 
-.bp3-icon-undo::before{
-  content:"⎌"; }
+.jp-Button.jp-mod-small {
+  min-height: 24px;
+  min-width: 24px;
+  font-size: 12px;
+  padding: 0 7px;
+}
 
-.bp3-icon-ungroup-objects::before{
-  content:""; }
+/* Use our own theme for hover styles */
+.jp-Button.jp-mod-minimal:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-unknown-vehicle::before{
-  content:""; }
+.jp-Button.jp-mod-minimal {
+  background: none;
+}
 
-.bp3-icon-unlock::before{
-  content:""; }
+.jp-InputGroup {
+  display: block;
+  position: relative;
+}
 
-.bp3-icon-unpin::before{
-  content:""; }
+.jp-InputGroup input {
+  box-sizing: border-box;
+  border: none;
+  border-radius: 0;
+  background-color: transparent;
+  color: var(--jp-ui-font-color0);
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
+  padding-bottom: 0;
+  padding-top: 0;
+  padding-left: 10px;
+  padding-right: 28px;
+  position: relative;
+  width: 100%;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  appearance: none;
+  font-size: 14px;
+  font-weight: 400;
+  height: 30px;
+  line-height: 30px;
+  outline: none;
+  vertical-align: middle;
+}
 
-.bp3-icon-unresolve::before{
-  content:""; }
+.jp-InputGroup input:focus {
+  box-shadow: inset 0 0 0 var(--jp-border-width)
+      var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
+}
 
-.bp3-icon-updated::before{
-  content:""; }
+.jp-InputGroup input:disabled {
+  cursor: not-allowed;
+  resize: block;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-upload::before{
-  content:""; }
+.jp-InputGroup input:disabled ~ span {
+  cursor: not-allowed;
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-user::before{
-  content:""; }
+.jp-InputGroup input::placeholder,
+input::placeholder {
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-variable::before{
-  content:""; }
+.jp-InputGroupAction {
+  position: absolute;
+  bottom: 1px;
+  right: 0;
+  padding: 6px;
+}
 
-.bp3-icon-vertical-bar-chart-asc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select {
+  background-color: initial;
+  border: none;
+  border-radius: 0;
+  box-shadow: none;
+  color: var(--jp-ui-font-color0);
+  display: block;
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  height: 24px;
+  line-height: 14px;
+  padding: 0 25px 0 10px;
+  text-align: left;
+  -moz-appearance: none;
+  -webkit-appearance: none;
+}
 
-.bp3-icon-vertical-bar-chart-desc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+  cursor: not-allowed;
+  resize: block;
+}
 
-.bp3-icon-vertical-distribution::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled ~ span {
+  cursor: not-allowed;
+}
 
-.bp3-icon-video::before{
-  content:""; }
+/* Use our own theme for hover and option styles */
+/* stylelint-disable-next-line selector-max-type */
+.jp-HTMLSelect.jp-DefaultStyle select:hover,
+.jp-HTMLSelect.jp-DefaultStyle select > option {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-volume-down::before{
-  content:""; }
+select {
+  box-sizing: border-box;
+}
 
-.bp3-icon-volume-off::before{
-  content:""; }
-
-.bp3-icon-volume-up::before{
-  content:""; }
-
-.bp3-icon-walk::before{
-  content:""; }
-
-.bp3-icon-warning-sign::before{
-  content:""; }
-
-.bp3-icon-waterfall-chart::before{
-  content:""; }
-
-.bp3-icon-widget::before{
-  content:""; }
-
-.bp3-icon-widget-button::before{
-  content:""; }
-
-.bp3-icon-widget-footer::before{
-  content:""; }
-
-.bp3-icon-widget-header::before{
-  content:""; }
-
-.bp3-icon-wrench::before{
-  content:""; }
-
-.bp3-icon-zoom-in::before{
-  content:""; }
-
-.bp3-icon-zoom-out::before{
-  content:""; }
-
-.bp3-icon-zoom-to-fit::before{
-  content:""; }
-.bp3-submenu > .bp3-popover-wrapper{
-  display:block; }
-
-.bp3-submenu .bp3-popover-target{
-  display:block; }
-  .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{ }
-
-.bp3-submenu.bp3-popover{
-  -webkit-box-shadow:none;
-          box-shadow:none;
-  padding:0 5px; }
-  .bp3-submenu.bp3-popover > .bp3-popover-content{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-submenu.bp3-popover, .bp3-submenu.bp3-popover.bp3-dark{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-dark .bp3-submenu.bp3-popover > .bp3-popover-content, .bp3-submenu.bp3-popover.bp3-dark > .bp3-popover-content{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4); }
-.bp3-menu{
-  background:#ffffff;
-  border-radius:3px;
-  color:#182026;
-  list-style:none;
-  margin:0;
-  min-width:180px;
-  padding:5px;
-  text-align:left; }
-
-.bp3-menu-divider{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px; }
-  .bp3-dark .bp3-menu-divider{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-
-.bp3-menu-item{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:start;
-      -ms-flex-align:start;
-          align-items:flex-start;
-  border-radius:2px;
-  color:inherit;
-  line-height:20px;
-  padding:5px 7px;
-  text-decoration:none;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-menu-item > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-menu-item > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > *{
-    margin-right:7px; }
-  .bp3-menu-item:empty::before,
-  .bp3-menu-item > :last-child{
-    margin-right:0; }
-  .bp3-menu-item > .bp3-fill{
-    word-break:break-word; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    background-color:rgba(167, 182, 194, 0.3);
-    cursor:pointer;
-    text-decoration:none; }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-dark .bp3-menu-item{
-    color:inherit; }
-    .bp3-dark .bp3-menu-item:hover, .bp3-dark .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item, .bp3-submenu .bp3-dark .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-      background-color:rgba(138, 155, 168, 0.15);
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-disabled{
-      background-color:inherit;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-menu-item.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-primary::before, .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary.bp3-active{
-      background-color:#137cbd; }
-    .bp3-menu-item.bp3-intent-primary:active{
-      background-color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::before, .bp3-menu-item.bp3-intent-primary:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-primary:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary:active, .bp3-menu-item.bp3-intent-primary:active::before, .bp3-menu-item.bp3-intent-primary:active::after,
-    .bp3-menu-item.bp3-intent-primary:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary.bp3-active, .bp3-menu-item.bp3-intent-primary.bp3-active::before, .bp3-menu-item.bp3-intent-primary.bp3-active::after,
-    .bp3-menu-item.bp3-intent-primary.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-success::before, .bp3-menu-item.bp3-intent-success::after,
-    .bp3-menu-item.bp3-intent-success .bp3-menu-item-label{
-      color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success.bp3-active{
-      background-color:#0f9960; }
-    .bp3-menu-item.bp3-intent-success:active{
-      background-color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::before, .bp3-menu-item.bp3-intent-success:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-success:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success:active, .bp3-menu-item.bp3-intent-success:active::before, .bp3-menu-item.bp3-intent-success:active::after,
-    .bp3-menu-item.bp3-intent-success:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success.bp3-active, .bp3-menu-item.bp3-intent-success.bp3-active::before, .bp3-menu-item.bp3-intent-success.bp3-active::after,
-    .bp3-menu-item.bp3-intent-success.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-warning::before, .bp3-menu-item.bp3-intent-warning::after,
-    .bp3-menu-item.bp3-intent-warning .bp3-menu-item-label{
-      color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning.bp3-active{
-      background-color:#d9822b; }
-    .bp3-menu-item.bp3-intent-warning:active{
-      background-color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::before, .bp3-menu-item.bp3-intent-warning:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-warning:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning:active, .bp3-menu-item.bp3-intent-warning:active::before, .bp3-menu-item.bp3-intent-warning:active::after,
-    .bp3-menu-item.bp3-intent-warning:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning.bp3-active, .bp3-menu-item.bp3-intent-warning.bp3-active::before, .bp3-menu-item.bp3-intent-warning.bp3-active::after,
-    .bp3-menu-item.bp3-intent-warning.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-danger{
-    color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-danger::before, .bp3-menu-item.bp3-intent-danger::after,
-    .bp3-menu-item.bp3-intent-danger .bp3-menu-item-label{
-      color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger.bp3-active{
-      background-color:#db3737; }
-    .bp3-menu-item.bp3-intent-danger:active{
-      background-color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::before, .bp3-menu-item.bp3-intent-danger:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-danger:hover .bp3-menu-item-label,
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-      color:#ffffff; }
-  .bp3-menu-item::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    margin-right:7px; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > .bp3-icon{
-    color:#5c7080;
-    margin-top:2px; }
-  .bp3-menu-item .bp3-menu-item-label{
-    color:#5c7080; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    color:inherit; }
-  .bp3-menu-item.bp3-active, .bp3-menu-item:active{
-    background-color:rgba(115, 134, 148, 0.3); }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit !important;
-    color:rgba(92, 112, 128, 0.6) !important;
-    cursor:not-allowed !important;
-    outline:none !important; }
-    .bp3-menu-item.bp3-disabled::before,
-    .bp3-menu-item.bp3-disabled > .bp3-icon,
-    .bp3-menu-item.bp3-disabled .bp3-menu-item-label{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-large .bp3-menu-item{
-    font-size:16px;
-    line-height:22px;
-    padding:9px 7px; }
-    .bp3-large .bp3-menu-item .bp3-icon{
-      margin-top:3px; }
-    .bp3-large .bp3-menu-item::before{
-      font-family:"Icons20", sans-serif;
-      font-size:20px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased;
-      margin-right:10px;
-      margin-top:1px; }
-
-button.bp3-menu-item{
-  background:none;
-  border:none;
-  text-align:left;
-  width:100%; }
-.bp3-menu-header{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px;
-  cursor:default;
-  padding-left:2px; }
-  .bp3-dark .bp3-menu-header{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-  .bp3-menu-header:first-of-type{
-    border-top:none; }
-  .bp3-menu-header > h6{
-    color:#182026;
-    font-weight:600;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    line-height:17px;
-    margin:0;
-    padding:10px 7px 0 1px; }
-    .bp3-dark .bp3-menu-header > h6{
-      color:#f5f8fa; }
-  .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-  .bp3-large .bp3-menu-header > h6{
-    font-size:18px;
-    padding-bottom:5px;
-    padding-top:15px; }
-  .bp3-large .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-
-.bp3-dark .bp3-menu{
-  background:#30404d;
-  color:#f5f8fa; }
-
-.bp3-dark .bp3-menu-item{ }
-  .bp3-dark .bp3-menu-item.bp3-intent-primary{
-    color:#48aff0; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary::before, .bp3-dark .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#48aff0; }
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-      background-color:#137cbd; }
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-      background-color:#106ba3; }
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-    color:#3dcc91; }
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-      color:#3dcc91; }
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-      background-color:#0f9960; }
-    .bp3-dark .bp3-menu-item.bp3-intent-success:active{
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-.bp3-progress-bar{
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-.bp3-progress-bar.bp3-intent-primary .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-success .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-warning .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-danger .bp3-progress-meter{
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-  to{
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-.bp3-slider-track{
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-.bp3-slider-progress{
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-  .bp3-slider-progress.bp3-intent-primary{
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-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  .bp3-omnibar.bp3-overlay-exit-active{
-    -webkit-filter:blur(20px);
-            filter:blur(20px);
-    opacity:0.2;
-    -webkit-transition-delay:0;
-            transition-delay:0;
-    -webkit-transition-duration:200ms;
-            transition-duration:200ms;
-    -webkit-transition-property:opacity, -webkit-filter;
-    transition-property:opacity, -webkit-filter;
-    transition-property:filter, opacity;
-    transition-property:filter, opacity, -webkit-filter;
-    -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-            transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-omnibar .bp3-input{
-    background-color:transparent;
-    border-radius:0; }
-    .bp3-omnibar .bp3-input, .bp3-omnibar .bp3-input:focus{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-omnibar .bp3-menu{
-    background-color:transparent;
-    border-radius:0;
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-    max-height:calc(60vh - 40px);
-    overflow:auto; }
-    .bp3-omnibar .bp3-menu:empty{
-      display:none; }
-  .bp3-dark .bp3-omnibar, .bp3-omnibar.bp3-dark{
-    background-color:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4); }
-
-.bp3-omnibar-overlay .bp3-overlay-backdrop{
-  background-color:rgba(16, 22, 26, 0.2); }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
-
-.bp3-multi-select{
-  min-width:150px; }
-
-.bp3-multi-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto; }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
-
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
 
-/* Icons urls */
+.jp-StatusBar-Widget {
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color2);
+  min-height: var(--jp-statusbar-height);
+  justify-content: space-between;
+  padding: 0 10px;
+}
 
-:root {
-  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-bug: url(data:image/svg+xml;base64,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);
-  --jp-icon-build: url(data:image/svg+xml;base64,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);
-  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
-  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTYuMTdMNC44MyAxMmwtMS40MiAxLjQxTDkgMTkgMjEgN2wtMS40MS0xLjQxeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-regex: url(data:image/svg+xml;base64,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);
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-  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-search: url(data:image/svg+xml;base64,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);
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-  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-tag: url(data:image/svg+xml;base64,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);
-  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
-  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTUgMTVIM3YyaDEydi0yem0wLThIM3YyaDEyVjd6TTMgMTNoMTh2LTJIM3Yyem0wIDhoMTh2LTJIM3Yyek0zIDN2MmgxOFYzSDN6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-toc: url(data:image/svg+xml;base64,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);
-  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
-  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+.jp-StatusBar-Left {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
 
-/* Icon CSS class declarations */
+.jp-StatusBar-Middle {
+  display: flex;
+  align-items: center;
+}
 
-.jp-AddIcon {
-  background-image: var(--jp-icon-add);
+.jp-StatusBar-Right {
+  display: flex;
+  align-items: center;
+  flex-direction: row-reverse;
 }
-.jp-BugIcon {
-  background-image: var(--jp-icon-bug);
+
+.jp-StatusBar-Item {
+  max-height: var(--jp-statusbar-height);
+  margin: 0 2px;
+  height: var(--jp-statusbar-height);
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  color: var(--jp-ui-font-color1);
+  padding: 0 6px;
 }
-.jp-BuildIcon {
-  background-image: var(--jp-icon-build);
+
+.jp-mod-highlighted:hover {
+  background-color: var(--jp-layout-color3);
 }
-.jp-CaretDownEmptyIcon {
-  background-image: var(--jp-icon-caret-down-empty);
+
+.jp-mod-clicked {
+  background-color: var(--jp-brand-color1);
 }
-.jp-CaretDownEmptyThinIcon {
-  background-image: var(--jp-icon-caret-down-empty-thin);
+
+.jp-mod-clicked:hover {
+  background-color: var(--jp-brand-color0);
 }
-.jp-CaretDownIcon {
-  background-image: var(--jp-icon-caret-down);
+
+.jp-mod-clicked .jp-StatusBar-TextItem {
+  color: var(--jp-ui-inverse-font-color1);
 }
-.jp-CaretLeftIcon {
-  background-image: var(--jp-icon-caret-left);
+
+.jp-StatusBar-HoverItem {
+  box-shadow: '0px 4px 4px rgba(0, 0, 0, 0.25)';
 }
-.jp-CaretRightIcon {
-  background-image: var(--jp-icon-caret-right);
+
+.jp-StatusBar-TextItem {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  line-height: 24px;
+  color: var(--jp-ui-font-color1);
 }
-.jp-CaretUpEmptyThinIcon {
-  background-image: var(--jp-icon-caret-up-empty-thin);
+
+.jp-StatusBar-GroupItem {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
-.jp-CaretUpIcon {
-  background-image: var(--jp-icon-caret-up);
+
+.jp-Statusbar-ProgressCircle svg {
+  display: block;
+  margin: 0 auto;
+  width: 16px;
+  height: 24px;
+  align-self: normal;
 }
-.jp-CaseSensitiveIcon {
-  background-image: var(--jp-icon-case-sensitive);
+
+.jp-Statusbar-ProgressCircle path {
+  fill: var(--jp-inverse-layout-color3);
 }
-.jp-CheckIcon {
-  background-image: var(--jp-icon-check);
-}
-.jp-CircleEmptyIcon {
-  background-image: var(--jp-icon-circle-empty);
-}
-.jp-CircleIcon {
-  background-image: var(--jp-icon-circle);
+
+.jp-Statusbar-ProgressBar-progress-bar {
+  height: 10px;
+  width: 100px;
+  border: solid 0.25px var(--jp-brand-color2);
+  border-radius: 3px;
+  overflow: hidden;
+  align-self: center;
 }
-.jp-ClearIcon {
-  background-image: var(--jp-icon-clear);
+
+.jp-Statusbar-ProgressBar-progress-bar > div {
+  background-color: var(--jp-brand-color2);
+  background-image: linear-gradient(
+    -45deg,
+    rgba(255, 255, 255, 0.2) 25%,
+    transparent 25%,
+    transparent 50%,
+    rgba(255, 255, 255, 0.2) 50%,
+    rgba(255, 255, 255, 0.2) 75%,
+    transparent 75%,
+    transparent
+  );
+  background-size: 40px 40px;
+  float: left;
+  width: 0%;
+  height: 100%;
+  font-size: 12px;
+  line-height: 14px;
+  color: #fff;
+  text-align: center;
+  animation: jp-Statusbar-ExecutionTime-progress-bar 2s linear infinite;
 }
-.jp-CloseIcon {
-  background-image: var(--jp-icon-close);
+
+.jp-Statusbar-ProgressBar-progress-bar p {
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+  font-size: var(--jp-ui-font-size1);
+  line-height: 10px;
+  width: 100px;
 }
-.jp-CodeIcon {
-  background-image: var(--jp-icon-code);
+
+@keyframes jp-Statusbar-ExecutionTime-progress-bar {
+  0% {
+    background-position: 0 0;
+  }
+
+  100% {
+    background-position: 40px 40px;
+  }
 }
-.jp-ConsoleIcon {
-  background-image: var(--jp-icon-console);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-commandpalette-search-height: 28px;
 }
-.jp-CopyIcon {
-  background-image: var(--jp-icon-copy);
+
+/*-----------------------------------------------------------------------------
+| Overall styles
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette {
+  padding-bottom: 0;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-CutIcon {
-  background-image: var(--jp-icon-cut);
+
+/*-----------------------------------------------------------------------------
+| Modal variant
+|----------------------------------------------------------------------------*/
+
+.jp-ModalCommandPalette {
+  position: absolute;
+  z-index: 10000;
+  top: 38px;
+  left: 30%;
+  margin: 0;
+  padding: 4px;
+  width: 40%;
+  box-shadow: var(--jp-elevation-z4);
+  border-radius: 4px;
+  background: var(--jp-layout-color0);
 }
-.jp-DownloadIcon {
-  background-image: var(--jp-icon-download);
+
+.jp-ModalCommandPalette .lm-CommandPalette {
+  max-height: 40vh;
 }
-.jp-EditIcon {
-  background-image: var(--jp-icon-edit);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-close-icon::after {
+  display: none;
 }
-.jp-EllipsesIcon {
-  background-image: var(--jp-icon-ellipses);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
+  display: none;
 }
-.jp-ExtensionIcon {
-  background-image: var(--jp-icon-extension);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
+  margin-left: 4px;
+  margin-right: 4px;
 }
-.jp-FastForwardIcon {
-  background-image: var(--jp-icon-fast-forward);
+
+.jp-ModalCommandPalette
+  .lm-CommandPalette
+  .lm-CommandPalette-item.lm-mod-disabled {
+  display: none;
 }
-.jp-FileIcon {
-  background-image: var(--jp-icon-file);
+
+/*-----------------------------------------------------------------------------
+| Search
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-search {
+  padding: 4px;
+  background-color: var(--jp-layout-color1);
+  z-index: 2;
 }
-.jp-FileUploadIcon {
-  background-image: var(--jp-icon-file-upload);
+
+.lm-CommandPalette-wrapper {
+  overflow: overlay;
+  padding: 0 9px;
+  background-color: var(--jp-input-active-background);
+  height: 30px;
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
 }
-.jp-FilterListIcon {
-  background-image: var(--jp-icon-filter-list);
+
+.lm-CommandPalette.lm-mod-focused .lm-CommandPalette-wrapper {
+  box-shadow: inset 0 0 0 1px var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
 }
-.jp-FolderIcon {
-  background-image: var(--jp-icon-folder);
+
+.jp-SearchIconGroup {
+  color: white;
+  background-color: var(--jp-brand-color1);
+  position: absolute;
+  top: 4px;
+  right: 4px;
+  padding: 5px 5px 1px;
 }
-.jp-Html5Icon {
-  background-image: var(--jp-icon-html5);
+
+.jp-SearchIconGroup svg {
+  height: 20px;
+  width: 20px;
 }
-.jp-ImageIcon {
-  background-image: var(--jp-icon-image);
+
+.jp-SearchIconGroup .jp-icon3[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-InspectorIcon {
-  background-image: var(--jp-icon-inspector);
+
+.lm-CommandPalette-input {
+  background: transparent;
+  width: calc(100% - 18px);
+  float: left;
+  border: none;
+  outline: none;
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  line-height: var(--jp-private-commandpalette-search-height);
 }
-.jp-JsonIcon {
-  background-image: var(--jp-icon-json);
+
+.lm-CommandPalette-input::-webkit-input-placeholder,
+.lm-CommandPalette-input::-moz-placeholder,
+.lm-CommandPalette-input:-ms-input-placeholder {
+  color: var(--jp-ui-font-color2);
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-JupyterFaviconIcon {
-  background-image: var(--jp-icon-jupyter-favicon);
+
+/*-----------------------------------------------------------------------------
+| Results
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-header:first-child {
+  margin-top: 0;
 }
-.jp-JupyterIcon {
-  background-image: var(--jp-icon-jupyter);
+
+.lm-CommandPalette-header {
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin-top: 8px;
+  padding: 8px 0 8px 12px;
+  text-transform: uppercase;
 }
-.jp-JupyterlabWordmarkIcon {
-  background-image: var(--jp-icon-jupyterlab-wordmark);
+
+.lm-CommandPalette-header.lm-mod-active {
+  background: var(--jp-layout-color2);
 }
-.jp-KernelIcon {
-  background-image: var(--jp-icon-kernel);
+
+.lm-CommandPalette-header > mark {
+  background-color: transparent;
+  font-weight: bold;
+  color: var(--jp-ui-font-color1);
 }
-.jp-KeyboardIcon {
-  background-image: var(--jp-icon-keyboard);
+
+.lm-CommandPalette-item {
+  padding: 4px 12px 4px 4px;
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  font-weight: 400;
+  display: flex;
 }
-.jp-LauncherIcon {
-  background-image: var(--jp-icon-launcher);
+
+.lm-CommandPalette-item.lm-mod-disabled {
+  color: var(--jp-ui-font-color2);
 }
-.jp-LineFormIcon {
-  background-image: var(--jp-icon-line-form);
+
+.lm-CommandPalette-item.lm-mod-active {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-LinkIcon {
-  background-image: var(--jp-icon-link);
+
+.lm-CommandPalette-item.lm-mod-active .lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-inverse-font-color0);
 }
-.jp-ListIcon {
-  background-image: var(--jp-icon-list);
+
+.lm-CommandPalette-item.lm-mod-active .jp-icon-selectable[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-ListingsInfoIcon {
-  background-image: var(--jp-icon-listings-info);
+
+.lm-CommandPalette-item.lm-mod-active:hover:not(.lm-mod-disabled) {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-MarkdownIcon {
-  background-image: var(--jp-icon-markdown);
+
+.lm-CommandPalette-item:hover:not(.lm-mod-active):not(.lm-mod-disabled) {
+  background: var(--jp-layout-color2);
 }
-.jp-NewFolderIcon {
-  background-image: var(--jp-icon-new-folder);
+
+.lm-CommandPalette-itemContent {
+  overflow: hidden;
 }
-.jp-NotTrustedIcon {
-  background-image: var(--jp-icon-not-trusted);
+
+.lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-font-color0);
+  background-color: transparent;
+  font-weight: bold;
 }
-.jp-NotebookIcon {
-  background-image: var(--jp-icon-notebook);
+
+.lm-CommandPalette-item.lm-mod-disabled mark {
+  color: var(--jp-ui-font-color2);
 }
-.jp-NumberingIcon {
-  background-image: var(--jp-icon-numbering);
-}
-.jp-OfflineBoltIcon {
-  background-image: var(--jp-icon-offline-bolt);
-}
-.jp-PaletteIcon {
-  background-image: var(--jp-icon-palette);
-}
-.jp-PasteIcon {
-  background-image: var(--jp-icon-paste);
-}
-.jp-PdfIcon {
-  background-image: var(--jp-icon-pdf);
-}
-.jp-PythonIcon {
-  background-image: var(--jp-icon-python);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemIcon {
+  margin: 0 4px 0 0;
+  position: relative;
+  width: 16px;
+  top: 2px;
+  flex: 0 0 auto;
 }
-.jp-RKernelIcon {
-  background-image: var(--jp-icon-r-kernel);
+
+.lm-CommandPalette-item.lm-mod-disabled .lm-CommandPalette-itemIcon {
+  opacity: 0.6;
 }
-.jp-ReactIcon {
-  background-image: var(--jp-icon-react);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemShortcut {
+  flex: 0 0 auto;
 }
-.jp-RedoIcon {
-  background-image: var(--jp-icon-redo);
+
+.lm-CommandPalette-itemCaption {
+  display: none;
 }
-.jp-RefreshIcon {
-  background-image: var(--jp-icon-refresh);
+
+.lm-CommandPalette-content {
+  background-color: var(--jp-layout-color1);
 }
-.jp-RegexIcon {
-  background-image: var(--jp-icon-regex);
+
+.lm-CommandPalette-content:empty::after {
+  content: 'No results';
+  margin: auto;
+  margin-top: 20px;
+  width: 100px;
+  display: block;
+  font-size: var(--jp-ui-font-size2);
+  font-family: var(--jp-ui-font-family);
+  font-weight: lighter;
 }
-.jp-RunIcon {
-  background-image: var(--jp-icon-run);
+
+.lm-CommandPalette-emptyMessage {
+  text-align: center;
+  margin-top: 24px;
+  line-height: 1.32;
+  padding: 0 8px;
+  color: var(--jp-content-font-color3);
 }
-.jp-RunningIcon {
-  background-image: var(--jp-icon-running);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.jp-Dialog {
+  position: absolute;
+  z-index: 10000;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  top: 0;
+  left: 0;
+  margin: 0;
+  padding: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-dialog-background);
 }
-.jp-SaveIcon {
-  background-image: var(--jp-icon-save);
+
+.jp-Dialog-content {
+  display: flex;
+  flex-direction: column;
+  margin-left: auto;
+  margin-right: auto;
+  background: var(--jp-layout-color1);
+  padding: 24px 24px 12px;
+  min-width: 300px;
+  min-height: 150px;
+  max-width: 1000px;
+  max-height: 500px;
+  box-sizing: border-box;
+  box-shadow: var(--jp-elevation-z20);
+  word-wrap: break-word;
+  border-radius: var(--jp-border-radius);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color1);
+  resize: both;
 }
-.jp-SearchIcon {
-  background-image: var(--jp-icon-search);
+
+.jp-Dialog-content.jp-Dialog-content-small {
+  max-width: 500px;
 }
-.jp-SettingsIcon {
-  background-image: var(--jp-icon-settings);
+
+.jp-Dialog-button {
+  overflow: visible;
 }
-.jp-SpreadsheetIcon {
-  background-image: var(--jp-icon-spreadsheet);
+
+button.jp-Dialog-button:focus {
+  outline: 1px solid var(--jp-brand-color1);
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-StopIcon {
-  background-image: var(--jp-icon-stop);
+
+button.jp-Dialog-button:focus::-moz-focus-inner {
+  border: 0;
 }
-.jp-TabIcon {
-  background-image: var(--jp-icon-tab);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-TableRowsIcon {
-  background-image: var(--jp-icon-table-rows);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus {
+  outline: 1px solid var(--jp-accept-color-normal, var(--jp-brand-color1));
 }
-.jp-TagIcon {
-  background-image: var(--jp-icon-tag);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus {
+  outline: 1px solid var(--jp-warn-color-normal, var(--jp-error-color1));
 }
-.jp-TerminalIcon {
-  background-image: var(--jp-icon-terminal);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline: 1px solid var(--jp-reject-color-normal, var(--md-grey-600));
 }
-.jp-TextEditorIcon {
-  background-image: var(--jp-icon-text-editor);
+
+button.jp-Dialog-close-button {
+  padding: 0;
+  height: 100%;
+  min-width: unset;
+  min-height: unset;
 }
-.jp-TocIcon {
-  background-image: var(--jp-icon-toc);
+
+.jp-Dialog-header {
+  display: flex;
+  justify-content: space-between;
+  flex: 0 0 auto;
+  padding-bottom: 12px;
+  font-size: var(--jp-ui-font-size3);
+  font-weight: 400;
+  color: var(--jp-ui-font-color1);
 }
-.jp-TreeViewIcon {
-  background-image: var(--jp-icon-tree-view);
+
+.jp-Dialog-body {
+  display: flex;
+  flex-direction: column;
+  flex: 1 1 auto;
+  font-size: var(--jp-ui-font-size1);
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
 }
-.jp-TrustedIcon {
-  background-image: var(--jp-icon-trusted);
+
+.jp-Dialog-footer {
+  display: flex;
+  flex-direction: row;
+  justify-content: flex-end;
+  align-items: center;
+  flex: 0 0 auto;
+  margin-left: -12px;
+  margin-right: -12px;
+  padding: 12px;
 }
-.jp-UndoIcon {
-  background-image: var(--jp-icon-undo);
+
+.jp-Dialog-checkbox {
+  padding-right: 5px;
 }
-.jp-VegaIcon {
-  background-image: var(--jp-icon-vega);
+
+.jp-Dialog-checkbox > input:focus-visible {
+  outline: 1px solid var(--jp-input-active-border-color);
+  outline-offset: 1px;
 }
-.jp-YamlIcon {
-  background-image: var(--jp-icon-yaml);
+
+.jp-Dialog-spacer {
+  flex: 1 1 auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+.jp-Dialog-title {
+  overflow: hidden;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+}
 
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+.jp-Dialog-body > .jp-select-wrapper {
+  width: 100%;
+}
 
-:root {
-  --jp-icon-search-white: url(data:image/svg+xml;base64,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);
+.jp-Dialog-body > button {
+  padding: 0 16px;
 }
 
-.jp-Icon,
-.jp-MaterialIcon {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
+.jp-Dialog-body > label {
+  line-height: 1.4;
+  color: var(--jp-ui-font-color0);
 }
 
-.jp-Icon-cover {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: cover;
+.jp-Dialog-button.jp-mod-styled:not(:last-child) {
+  margin-right: 12px;
 }
 
-/**
- * (DEPRECATED) Support for specific CSS icon sizes
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
 
-.jp-Icon-16 {
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
-}
-
-.jp-Icon-18 {
-  background-size: 18px;
-  min-width: 18px;
-  min-height: 18px;
+.jp-Input-Boolean-Dialog {
+  flex-direction: row-reverse;
+  align-items: end;
+  width: 100%;
 }
 
-.jp-Icon-20 {
-  background-size: 20px;
-  min-width: 20px;
-  min-height: 20px;
+.jp-Input-Boolean-Dialog > label {
+  flex: 1 1 auto;
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/**
- * Support for icons as inline SVG HTMLElements
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-/* recolor the accent elements of an icon */
-.jp-icon-accent0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-accent1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-accent2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-accent3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-accent4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-accent0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-accent1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-accent2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-accent3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-accent4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-/* set the color of an icon to transparent */
-.jp-icon-none[fill] {
-  fill: none;
-}
-
-.jp-icon-none[stroke] {
-  stroke: none;
-}
-/* brand icon colors. Same for light and dark */
-.jp-icon-brand0[fill] {
-  fill: var(--jp-brand-color0);
-}
-.jp-icon-brand1[fill] {
-  fill: var(--jp-brand-color1);
-}
-.jp-icon-brand2[fill] {
-  fill: var(--jp-brand-color2);
-}
-.jp-icon-brand3[fill] {
-  fill: var(--jp-brand-color3);
-}
-.jp-icon-brand4[fill] {
-  fill: var(--jp-brand-color4);
-}
-
-.jp-icon-brand0[stroke] {
-  stroke: var(--jp-brand-color0);
-}
-.jp-icon-brand1[stroke] {
-  stroke: var(--jp-brand-color1);
-}
-.jp-icon-brand2[stroke] {
-  stroke: var(--jp-brand-color2);
-}
-.jp-icon-brand3[stroke] {
-  stroke: var(--jp-brand-color3);
-}
-.jp-icon-brand4[stroke] {
-  stroke: var(--jp-brand-color4);
-}
-/* warn icon colors. Same for light and dark */
-.jp-icon-warn0[fill] {
-  fill: var(--jp-warn-color0);
-}
-.jp-icon-warn1[fill] {
-  fill: var(--jp-warn-color1);
-}
-.jp-icon-warn2[fill] {
-  fill: var(--jp-warn-color2);
-}
-.jp-icon-warn3[fill] {
-  fill: var(--jp-warn-color3);
-}
-
-.jp-icon-warn0[stroke] {
-  stroke: var(--jp-warn-color0);
-}
-.jp-icon-warn1[stroke] {
-  stroke: var(--jp-warn-color1);
-}
-.jp-icon-warn2[stroke] {
-  stroke: var(--jp-warn-color2);
-}
-.jp-icon-warn3[stroke] {
-  stroke: var(--jp-warn-color3);
-}
-/* icon colors that contrast well with each other and most backgrounds */
-.jp-icon-contrast0[fill] {
-  fill: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[fill] {
-  fill: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[fill] {
-  fill: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[fill] {
-  fill: var(--jp-icon-contrast-color3);
-}
-
-.jp-icon-contrast0[stroke] {
-  stroke: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[stroke] {
-  stroke: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[stroke] {
-  stroke: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[stroke] {
-  stroke: var(--jp-icon-contrast-color3);
-}
-
-/* CSS for icons in selected items in the settings editor */
-#setting-editor .jp-PluginList .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-#setting-editor
-  .jp-PluginList
-  .jp-mod-selected
-  .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected filebrowser listing items */
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected tabs in the sidebar tab manager */
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable[fill] {
-  fill: #fff;
+.jp-MainAreaWidget > :focus {
+  outline: none;
 }
 
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable[fill] {
-  fill: var(--jp-brand-color1);
+.jp-MainAreaWidget .jp-MainAreaWidget-error {
+  padding: 6px;
 }
 
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable-inverse[fill] {
-  fill: #fff;
+.jp-MainAreaWidget .jp-MainAreaWidget-error > pre {
+  width: auto;
+  padding: 10px;
+  background: var(--jp-error-color3);
+  border: var(--jp-border-width) solid var(--jp-error-color1);
+  border-radius: var(--jp-border-radius);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  white-space: pre-wrap;
+  word-wrap: break-word;
 }
 
-/**
- * TODO: come up with non css-hack solution for showing the busy icon on top
- *  of the close icon
- * CSS for complex behavior of close icon of tabs in the sidebar tab manager
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty.jp-mod-active
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: #fff;
-}
-
-/**
-* TODO: come up with non css-hack solution for showing the busy icon on top
-*  of the close icon
-* CSS for complex behavior of close icon of tabs in the main area tabbar
-*/
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-/* CSS for icons in status bar */
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-/* special handling for splash icon CSS. While the theme CSS reloads during
-   splash, the splash icon can loose theming. To prevent that, we set a
-   default for its color variable */
-:root {
-  --jp-warn-color0: var(--md-orange-700);
-}
-
-/* not sure what to do with this one, used in filebrowser listing */
-.jp-DragIcon {
-  margin-right: 4px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
 
 /**
- * Support for alt colors for icons as inline SVG HTMLElements
+ * google-material-color v1.2.6
+ * https://github.com/danlevan/google-material-color
  */
-
-/* alt recolor the primary elements of an icon */
-.jp-icon-alt .jp-icon0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-alt .jp-icon0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* alt recolor the accent elements of an icon */
-.jp-icon-alt .jp-icon-accent0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-alt .jp-icon-accent4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-alt .jp-icon-accent0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[stroke] {
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-}
-.jp-icon-alt .jp-icon-accent4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-icon-hoverShow:not(:hover) svg {
-  display: none !important;
-}
-
-/**
- * Support for hover colors for icons as inline SVG HTMLElements
- */
-
-/**
- * regular colors
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon-hover :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
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-.jp-icon-hover :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/* recolor the accent elements of an icon */
-.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* set the color of an icon to transparent */
-.jp-icon-hover :hover .jp-icon-none-hover[fill] {
-  fill: none;
-}
-
-.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
-  stroke: none;
-}
-
-/**
- * inverse colors
- */
-
-/* inverse recolor the primary elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* inverse recolor the accent elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-switch {
-  display: flex;
-  align-items: center;
-  padding-left: 4px;
-  padding-right: 4px;
-  font-size: var(--jp-ui-font-size1);
-  background-color: transparent;
-  color: var(--jp-ui-font-color1);
-  border: none;
-  height: 20px;
-}
-
-.jp-switch:hover {
-  background-color: var(--jp-layout-color2);
-}
-
-.jp-switch-label {
-  margin-right: 5px;
-}
-
-.jp-switch-track {
-  cursor: pointer;
-  background-color: var(--jp-border-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 34px;
-  height: 16px;
-  width: 35px;
-  position: relative;
-}
-
-.jp-switch-track::before {
-  content: '';
-  position: absolute;
-  height: 10px;
-  width: 10px;
-  margin: 3px;
-  left: 0px;
-  background-color: var(--jp-ui-inverse-font-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 50%;
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track {
-  background-color: var(--jp-warn-color0);
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track::before {
-  /* track width (35) - margins (3 + 3) - thumb width (10) */
-  left: 19px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/* Sibling imports */
-
-/* Override Blueprint's _reset.scss styles */
-html {
-  box-sizing: unset;
-}
-
-*,
-*::before,
-*::after {
-  box-sizing: unset;
-}
-
-body {
-  color: unset;
-  font-family: var(--jp-ui-font-family);
-}
-
-p {
-  margin-top: unset;
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-}
-
-small {
-  font-size: unset;
-}
-
-strong {
-  font-weight: unset;
-}
-
-/* Override Blueprint's _typography.scss styles */
-a {
-  text-decoration: unset;
-  color: unset;
-}
-a:hover {
-  text-decoration: unset;
-  color: unset;
-}
-
-/* Override Blueprint's _accessibility.scss styles */
-:focus {
-  outline: unset;
-  outline-offset: unset;
-  -moz-outline-radius: unset;
-}
-
-/* Styles for ui-components */
-.jp-Button {
-  border-radius: var(--jp-border-radius);
-  padding: 0px 12px;
-  font-size: var(--jp-ui-font-size1);
-}
-
-/* Use our own theme for hover styles */
-button.jp-Button.bp3-button.bp3-minimal:hover {
-  background-color: var(--jp-layout-color2);
-}
-.jp-Button.minimal {
-  color: unset !important;
-}
-
-.jp-Button.jp-ToolbarButtonComponent {
-  text-transform: none;
-}
-
-.jp-InputGroup input {
-  box-sizing: border-box;
-  border-radius: 0;
-  background-color: transparent;
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-
-.jp-InputGroup input:focus {
-  box-shadow: inset 0 0 0 var(--jp-border-width)
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-}
-
-.jp-InputGroup input::placeholder,
-input::placeholder {
-  color: var(--jp-ui-font-color3);
-}
-
-.jp-BPIcon {
-  display: inline-block;
-  vertical-align: middle;
-  margin: auto;
-}
-
-/* Stop blueprint futzing with our icon fills */
-.bp3-icon.jp-BPIcon > svg:not([fill]) {
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-}
-
-.jp-InputGroupAction {
-  padding: 6px;
-}
-
-.jp-HTMLSelect.jp-DefaultStyle select {
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-  font-size: var(--jp-ui-font-size1);
-  height: 24px;
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-  padding: 0 25px 0 10px;
-  text-align: left;
-  -moz-appearance: none;
-  -webkit-appearance: none;
-}
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-/* Use our own theme for hover and option styles */
-.jp-HTMLSelect.jp-DefaultStyle select:hover,
-.jp-HTMLSelect.jp-DefaultStyle select > option {
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-  color: var(--jp-ui-font-color0);
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-select {
-  box-sizing: border-box;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-Collapse {
-  display: flex;
-  flex-direction: column;
-  align-items: stretch;
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-}
-
-.jp-Collapse-header {
-  padding: 1px 12px;
-  color: var(--jp-ui-font-color1);
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-.jp-Collapse-header:hover {
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-.jp-Collapse-contents {
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-  color: var(--jp-ui-font-color1);
-  overflow: auto;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
-
-:root {
-  --jp-private-commandpalette-search-height: 28px;
-}
-
-/*-----------------------------------------------------------------------------
-| Overall styles
-|----------------------------------------------------------------------------*/
-
-.lm-CommandPalette {
-  padding-bottom: 0px;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-}
-
-/*-----------------------------------------------------------------------------
-| Modal variant
-|----------------------------------------------------------------------------*/
-
-.jp-ModalCommandPalette {
-  position: absolute;
-  z-index: 10000;
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-  left: 30%;
-  margin: 0;
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-.jp-ModalCommandPalette .lm-CommandPalette {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
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-  margin-right: 4px;
-}
-
-.jp-ModalCommandPalette
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-  .lm-CommandPalette-item.lm-mod-disabled {
-  display: none;
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-
-/*-----------------------------------------------------------------------------
-| Search
-|----------------------------------------------------------------------------*/
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-.lm-CommandPalette-search {
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-/*-----------------------------------------------------------------------------
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-.lm-CommandPalette-header:first-child {
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-  border: var(--jp-border-width) solid var(--jp-border-color1);
-  padding-left: 7px;
-  padding-right: 7px;
-  font-size: var(--jp-ui-font-size2);
-  color: var(--jp-ui-font-color0);
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-input.jp-mod-styled:focus {
-  border: var(--jp-border-width) solid var(--md-blue-500);
-  box-shadow: inset 0 0 4px var(--md-blue-300);
-}
-
-.jp-select-wrapper {
-  display: flex;
-  position: relative;
-  flex-direction: column;
-  padding: 1px;
-  background-color: var(--jp-layout-color1);
-  height: 28px;
-  box-sizing: border-box;
-  margin-bottom: 12px;
-}
-
-.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
-  background-color: var(--jp-input-active-background);
-}
-
-select.jp-mod-styled:hover {
-  background-color: var(--jp-layout-color1);
-  cursor: pointer;
-  color: var(--jp-ui-font-color0);
-  background-color: var(--jp-input-hover-background);
-  box-shadow: inset 0 0px 1px rgba(0, 0, 0, 0.5);
-}
-
-select.jp-mod-styled {
-  flex: 1 1 auto;
-  height: 32px;
-  width: 100%;
-  font-size: var(--jp-ui-font-size2);
-  background: var(--jp-input-background);
-  color: var(--jp-ui-font-color0);
-  padding: 0 25px 0 8px;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
 :root {
-  --jp-private-toolbar-height: calc(
-    28px + var(--jp-border-width)
-  ); /* leave 28px for content */
-}
-
-.jp-Toolbar {
-  color: var(--jp-ui-font-color1);
-  flex: 0 0 auto;
-  display: flex;
-  flex-direction: row;
-  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
-  box-shadow: var(--jp-toolbar-box-shadow);
-  background: var(--jp-toolbar-background);
-  min-height: var(--jp-toolbar-micro-height);
-  padding: 2px;
-  z-index: 1;
-  overflow-x: hidden;
-}
-
-.jp-Toolbar:hover {
-  overflow-x: auto;
-}
-
-/* Toolbar items */
-
-.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
-  flex-grow: 1;
-  flex-shrink: 1;
-}
-
-.jp-Toolbar-item.jp-Toolbar-kernelStatus {
-  display: inline-block;
-  width: 32px;
-  background-repeat: no-repeat;
-  background-position: center;
-  background-size: 16px;
-}
-
-.jp-Toolbar > .jp-Toolbar-item {
-  flex: 0 0 auto;
-  display: flex;
-  padding-left: 1px;
-  padding-right: 1px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: var(--jp-private-toolbar-height);
-  height: 100%;
-}
-
-/* Toolbar buttons */
-
-/* This is the div we use to wrap the react component into a Widget */
-div.jp-ToolbarButton {
-  color: transparent;
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px;
-  margin: 0px;
-}
-
-button.jp-ToolbarButtonComponent {
-  background: var(--jp-layout-color1);
-  border: none;
-  box-sizing: border-box;
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-  padding: 0px 6px;
-  margin: 0px;
-  height: 24px;
-  border-radius: var(--jp-border-radius);
-  display: flex;
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-  text-align: center;
-  font-size: 14px;
-  min-width: unset;
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-}
-
-button.jp-ToolbarButtonComponent:disabled {
-  opacity: 0.4;
-}
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-button.jp-ToolbarButtonComponent span {
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-
-button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
-  font-size: var(--jp-ui-font-size1);
-  line-height: 100%;
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-  color: var(--jp-ui-font-color1);
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar.jp-Toolbar-micro {
-  padding: 0;
-  min-height: 0;
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar {
-  border: none;
-  box-shadow: none;
+  --md-red-50: #ffebee;
+  --md-red-100: #ffcdd2;
+  --md-red-200: #ef9a9a;
+  --md-red-300: #e57373;
+  --md-red-400: #ef5350;
+  --md-red-500: #f44336;
+  --md-red-600: #e53935;
+  --md-red-700: #d32f2f;
+  --md-red-800: #c62828;
+  --md-red-900: #b71c1c;
+  --md-red-A100: #ff8a80;
+  --md-red-A200: #ff5252;
+  --md-red-A400: #ff1744;
+  --md-red-A700: #d50000;
+  --md-pink-50: #fce4ec;
+  --md-pink-100: #f8bbd0;
+  --md-pink-200: #f48fb1;
+  --md-pink-300: #f06292;
+  --md-pink-400: #ec407a;
+  --md-pink-500: #e91e63;
+  --md-pink-600: #d81b60;
+  --md-pink-700: #c2185b;
+  --md-pink-800: #ad1457;
+  --md-pink-900: #880e4f;
+  --md-pink-A100: #ff80ab;
+  --md-pink-A200: #ff4081;
+  --md-pink-A400: #f50057;
+  --md-pink-A700: #c51162;
+  --md-purple-50: #f3e5f5;
+  --md-purple-100: #e1bee7;
+  --md-purple-200: #ce93d8;
+  --md-purple-300: #ba68c8;
+  --md-purple-400: #ab47bc;
+  --md-purple-500: #9c27b0;
+  --md-purple-600: #8e24aa;
+  --md-purple-700: #7b1fa2;
+  --md-purple-800: #6a1b9a;
+  --md-purple-900: #4a148c;
+  --md-purple-A100: #ea80fc;
+  --md-purple-A200: #e040fb;
+  --md-purple-A400: #d500f9;
+  --md-purple-A700: #a0f;
+  --md-deep-purple-50: #ede7f6;
+  --md-deep-purple-100: #d1c4e9;
+  --md-deep-purple-200: #b39ddb;
+  --md-deep-purple-300: #9575cd;
+  --md-deep-purple-400: #7e57c2;
+  --md-deep-purple-500: #673ab7;
+  --md-deep-purple-600: #5e35b1;
+  --md-deep-purple-700: #512da8;
+  --md-deep-purple-800: #4527a0;
+  --md-deep-purple-900: #311b92;
+  --md-deep-purple-A100: #b388ff;
+  --md-deep-purple-A200: #7c4dff;
+  --md-deep-purple-A400: #651fff;
+  --md-deep-purple-A700: #6200ea;
+  --md-indigo-50: #e8eaf6;
+  --md-indigo-100: #c5cae9;
+  --md-indigo-200: #9fa8da;
+  --md-indigo-300: #7986cb;
+  --md-indigo-400: #5c6bc0;
+  --md-indigo-500: #3f51b5;
+  --md-indigo-600: #3949ab;
+  --md-indigo-700: #303f9f;
+  --md-indigo-800: #283593;
+  --md-indigo-900: #1a237e;
+  --md-indigo-A100: #8c9eff;
+  --md-indigo-A200: #536dfe;
+  --md-indigo-A400: #3d5afe;
+  --md-indigo-A700: #304ffe;
+  --md-blue-50: #e3f2fd;
+  --md-blue-100: #bbdefb;
+  --md-blue-200: #90caf9;
+  --md-blue-300: #64b5f6;
+  --md-blue-400: #42a5f5;
+  --md-blue-500: #2196f3;
+  --md-blue-600: #1e88e5;
+  --md-blue-700: #1976d2;
+  --md-blue-800: #1565c0;
+  --md-blue-900: #0d47a1;
+  --md-blue-A100: #82b1ff;
+  --md-blue-A200: #448aff;
+  --md-blue-A400: #2979ff;
+  --md-blue-A700: #2962ff;
+  --md-light-blue-50: #e1f5fe;
+  --md-light-blue-100: #b3e5fc;
+  --md-light-blue-200: #81d4fa;
+  --md-light-blue-300: #4fc3f7;
+  --md-light-blue-400: #29b6f6;
+  --md-light-blue-500: #03a9f4;
+  --md-light-blue-600: #039be5;
+  --md-light-blue-700: #0288d1;
+  --md-light-blue-800: #0277bd;
+  --md-light-blue-900: #01579b;
+  --md-light-blue-A100: #80d8ff;
+  --md-light-blue-A200: #40c4ff;
+  --md-light-blue-A400: #00b0ff;
+  --md-light-blue-A700: #0091ea;
+  --md-cyan-50: #e0f7fa;
+  --md-cyan-100: #b2ebf2;
+  --md-cyan-200: #80deea;
+  --md-cyan-300: #4dd0e1;
+  --md-cyan-400: #26c6da;
+  --md-cyan-500: #00bcd4;
+  --md-cyan-600: #00acc1;
+  --md-cyan-700: #0097a7;
+  --md-cyan-800: #00838f;
+  --md-cyan-900: #006064;
+  --md-cyan-A100: #84ffff;
+  --md-cyan-A200: #18ffff;
+  --md-cyan-A400: #00e5ff;
+  --md-cyan-A700: #00b8d4;
+  --md-teal-50: #e0f2f1;
+  --md-teal-100: #b2dfdb;
+  --md-teal-200: #80cbc4;
+  --md-teal-300: #4db6ac;
+  --md-teal-400: #26a69a;
+  --md-teal-500: #009688;
+  --md-teal-600: #00897b;
+  --md-teal-700: #00796b;
+  --md-teal-800: #00695c;
+  --md-teal-900: #004d40;
+  --md-teal-A100: #a7ffeb;
+  --md-teal-A200: #64ffda;
+  --md-teal-A400: #1de9b6;
+  --md-teal-A700: #00bfa5;
+  --md-green-50: #e8f5e9;
+  --md-green-100: #c8e6c9;
+  --md-green-200: #a5d6a7;
+  --md-green-300: #81c784;
+  --md-green-400: #66bb6a;
+  --md-green-500: #4caf50;
+  --md-green-600: #43a047;
+  --md-green-700: #388e3c;
+  --md-green-800: #2e7d32;
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+  --md-green-A200: #69f0ae;
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+  --md-light-green-50: #f1f8e9;
+  --md-light-green-100: #dcedc8;
+  --md-light-green-200: #c5e1a5;
+  --md-light-green-300: #aed581;
+  --md-light-green-400: #9ccc65;
+  --md-light-green-500: #8bc34a;
+  --md-light-green-600: #7cb342;
+  --md-light-green-700: #689f38;
+  --md-light-green-800: #558b2f;
+  --md-light-green-900: #33691e;
+  --md-light-green-A100: #ccff90;
+  --md-light-green-A200: #b2ff59;
+  --md-light-green-A400: #76ff03;
+  --md-light-green-A700: #64dd17;
+  --md-lime-50: #f9fbe7;
+  --md-lime-100: #f0f4c3;
+  --md-lime-200: #e6ee9c;
+  --md-lime-300: #dce775;
+  --md-lime-400: #d4e157;
+  --md-lime-500: #cddc39;
+  --md-lime-600: #c0ca33;
+  --md-lime-700: #afb42b;
+  --md-lime-800: #9e9d24;
+  --md-lime-900: #827717;
+  --md-lime-A100: #f4ff81;
+  --md-lime-A200: #eeff41;
+  --md-lime-A400: #c6ff00;
+  --md-lime-A700: #aeea00;
+  --md-yellow-50: #fffde7;
+  --md-yellow-100: #fff9c4;
+  --md-yellow-200: #fff59d;
+  --md-yellow-300: #fff176;
+  --md-yellow-400: #ffee58;
+  --md-yellow-500: #ffeb3b;
+  --md-yellow-600: #fdd835;
+  --md-yellow-700: #fbc02d;
+  --md-yellow-800: #f9a825;
+  --md-yellow-900: #f57f17;
+  --md-yellow-A100: #ffff8d;
+  --md-yellow-A200: #ff0;
+  --md-yellow-A400: #ffea00;
+  --md-yellow-A700: #ffd600;
+  --md-amber-50: #fff8e1;
+  --md-amber-100: #ffecb3;
+  --md-amber-200: #ffe082;
+  --md-amber-300: #ffd54f;
+  --md-amber-400: #ffca28;
+  --md-amber-500: #ffc107;
+  --md-amber-600: #ffb300;
+  --md-amber-700: #ffa000;
+  --md-amber-800: #ff8f00;
+  --md-amber-900: #ff6f00;
+  --md-amber-A100: #ffe57f;
+  --md-amber-A200: #ffd740;
+  --md-amber-A400: #ffc400;
+  --md-amber-A700: #ffab00;
+  --md-orange-50: #fff3e0;
+  --md-orange-100: #ffe0b2;
+  --md-orange-200: #ffcc80;
+  --md-orange-300: #ffb74d;
+  --md-orange-400: #ffa726;
+  --md-orange-500: #ff9800;
+  --md-orange-600: #fb8c00;
+  --md-orange-700: #f57c00;
+  --md-orange-800: #ef6c00;
+  --md-orange-900: #e65100;
+  --md-orange-A100: #ffd180;
+  --md-orange-A200: #ffab40;
+  --md-orange-A400: #ff9100;
+  --md-orange-A700: #ff6d00;
+  --md-deep-orange-50: #fbe9e7;
+  --md-deep-orange-100: #ffccbc;
+  --md-deep-orange-200: #ffab91;
+  --md-deep-orange-300: #ff8a65;
+  --md-deep-orange-400: #ff7043;
+  --md-deep-orange-500: #ff5722;
+  --md-deep-orange-600: #f4511e;
+  --md-deep-orange-700: #e64a19;
+  --md-deep-orange-800: #d84315;
+  --md-deep-orange-900: #bf360c;
+  --md-deep-orange-A100: #ff9e80;
+  --md-deep-orange-A200: #ff6e40;
+  --md-deep-orange-A400: #ff3d00;
+  --md-deep-orange-A700: #dd2c00;
+  --md-brown-50: #efebe9;
+  --md-brown-100: #d7ccc8;
+  --md-brown-200: #bcaaa4;
+  --md-brown-300: #a1887f;
+  --md-brown-400: #8d6e63;
+  --md-brown-500: #795548;
+  --md-brown-600: #6d4c41;
+  --md-brown-700: #5d4037;
+  --md-brown-800: #4e342e;
+  --md-brown-900: #3e2723;
+  --md-grey-50: #fafafa;
+  --md-grey-100: #f5f5f5;
+  --md-grey-200: #eee;
+  --md-grey-300: #e0e0e0;
+  --md-grey-400: #bdbdbd;
+  --md-grey-500: #9e9e9e;
+  --md-grey-600: #757575;
+  --md-grey-700: #616161;
+  --md-grey-800: #424242;
+  --md-grey-900: #212121;
+  --md-blue-grey-50: #eceff1;
+  --md-blue-grey-100: #cfd8dc;
+  --md-blue-grey-200: #b0bec5;
+  --md-blue-grey-300: #90a4ae;
+  --md-blue-grey-400: #78909c;
+  --md-blue-grey-500: #607d8b;
+  --md-blue-grey-600: #546e7a;
+  --md-blue-grey-700: #455a64;
+  --md-blue-grey-800: #37474f;
+  --md-blue-grey-900: #263238;
 }
 
 /*-----------------------------------------------------------------------------
 | Copyright (c) 2014-2017, Jupyter Development Team.
 |
 | Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Copyright (c) 2014-2017, PhosphorJS Contributors
-|
-| Distributed under the terms of the BSD 3-Clause License.
-|
-| The full license is in the file LICENSE, distributed with this software.
-|----------------------------------------------------------------------------*/
-
-
-/* <DEPRECATED> */ body.p-mod-override-cursor *, /* </DEPRECATED> */
-body.lm-mod-override-cursor * {
-  cursor: inherit !important;
-}
+|----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
+| Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-JSONEditor {
-  display: flex;
-  flex-direction: column;
-  width: 100%;
-}
+/*-----------------------------------------------------------------------------
+| RenderedText
+|----------------------------------------------------------------------------*/
 
-.jp-JSONEditor-host {
-  flex: 1 1 auto;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  background: var(--jp-layout-color0);
-  min-height: 50px;
-  padding: 1px;
+:root {
+  /* This is the padding value to fill the gaps between lines containing spans with background color. */
+  --jp-private-code-span-padding: calc(
+    (var(--jp-code-line-height) - 1) * var(--jp-code-font-size) / 2
+  );
 }
 
-.jp-JSONEditor.jp-mod-error .jp-JSONEditor-host {
-  border-color: red;
-  outline-color: red;
+.jp-RenderedText {
+  text-align: left;
+  padding-left: var(--jp-code-padding);
+  line-height: var(--jp-code-line-height);
+  font-family: var(--jp-code-font-family);
 }
 
-.jp-JSONEditor-header {
-  display: flex;
-  flex: 1 0 auto;
-  padding: 0 0 0 12px;
+.jp-RenderedText pre,
+.jp-RenderedJavaScript pre,
+.jp-RenderedHTMLCommon pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+  border: none;
+  margin: 0;
+  padding: 0;
 }
 
-.jp-JSONEditor-header label {
-  flex: 0 0 auto;
+.jp-RenderedText pre a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-commitButton {
-  height: 16px;
-  width: 16px;
-  background-size: 18px;
-  background-repeat: no-repeat;
-  background-position: center;
+.jp-RenderedText pre a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-host.jp-mod-focused {
-  background-color: var(--jp-input-active-background);
-  border: 1px solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-Editor.jp-mod-dropTarget {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+/* console foregrounds and backgrounds */
+.jp-RenderedText pre .ansi-black-fg {
+  color: #3e424d;
 }
 
-/* BASICS */
-
-.CodeMirror {
-  /* Set height, width, borders, and global font properties here */
-  font-family: monospace;
-  height: 300px;
-  color: black;
-  direction: ltr;
+.jp-RenderedText pre .ansi-red-fg {
+  color: #e75c58;
 }
 
-/* PADDING */
-
-.CodeMirror-lines {
-  padding: 4px 0; /* Vertical padding around content */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  padding: 0 4px; /* Horizontal padding of content */
+.jp-RenderedText pre .ansi-green-fg {
+  color: #00a250;
 }
 
-.CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  background-color: white; /* The little square between H and V scrollbars */
+.jp-RenderedText pre .ansi-yellow-fg {
+  color: #ddb62b;
 }
 
-/* GUTTER */
-
-.CodeMirror-gutters {
-  border-right: 1px solid #ddd;
-  background-color: #f7f7f7;
-  white-space: nowrap;
-}
-.CodeMirror-linenumbers {}
-.CodeMirror-linenumber {
-  padding: 0 3px 0 5px;
-  min-width: 20px;
-  text-align: right;
-  color: #999;
-  white-space: nowrap;
+.jp-RenderedText pre .ansi-blue-fg {
+  color: #208ffb;
 }
 
-.CodeMirror-guttermarker { color: black; }
-.CodeMirror-guttermarker-subtle { color: #999; }
-
-/* CURSOR */
-
-.CodeMirror-cursor {
-  border-left: 1px solid black;
-  border-right: none;
-  width: 0;
-}
-/* Shown when moving in bi-directional text */
-.CodeMirror div.CodeMirror-secondarycursor {
-  border-left: 1px solid silver;
-}
-.cm-fat-cursor .CodeMirror-cursor {
-  width: auto;
-  border: 0 !important;
-  background: #7e7;
-}
-.cm-fat-cursor div.CodeMirror-cursors {
-  z-index: 1;
-}
-.cm-fat-cursor-mark {
-  background-color: rgba(20, 255, 20, 0.5);
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-}
-.cm-animate-fat-cursor {
-  width: auto;
-  border: 0;
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-  background-color: #7e7;
-}
-@-moz-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@-webkit-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+.jp-RenderedText pre .ansi-magenta-fg {
+  color: #d160c4;
 }
 
-/* Can style cursor different in overwrite (non-insert) mode */
-.CodeMirror-overwrite .CodeMirror-cursor {}
-
-.cm-tab { display: inline-block; text-decoration: inherit; }
-
-.CodeMirror-rulers {
-  position: absolute;
-  left: 0; right: 0; top: -50px; bottom: 0;
-  overflow: hidden;
-}
-.CodeMirror-ruler {
-  border-left: 1px solid #ccc;
-  top: 0; bottom: 0;
-  position: absolute;
+.jp-RenderedText pre .ansi-cyan-fg {
+  color: #60c6c8;
 }
 
-/* DEFAULT THEME */
-
-.cm-s-default .cm-header {color: blue;}
-.cm-s-default .cm-quote {color: #090;}
-.cm-negative {color: #d44;}
-.cm-positive {color: #292;}
-.cm-header, .cm-strong {font-weight: bold;}
-.cm-em {font-style: italic;}
-.cm-link {text-decoration: underline;}
-.cm-strikethrough {text-decoration: line-through;}
-
-.cm-s-default .cm-keyword {color: #708;}
-.cm-s-default .cm-atom {color: #219;}
-.cm-s-default .cm-number {color: #164;}
-.cm-s-default .cm-def {color: #00f;}
-.cm-s-default .cm-variable,
-.cm-s-default .cm-punctuation,
-.cm-s-default .cm-property,
-.cm-s-default .cm-operator {}
-.cm-s-default .cm-variable-2 {color: #05a;}
-.cm-s-default .cm-variable-3, .cm-s-default .cm-type {color: #085;}
-.cm-s-default .cm-comment {color: #a50;}
-.cm-s-default .cm-string {color: #a11;}
-.cm-s-default .cm-string-2 {color: #f50;}
-.cm-s-default .cm-meta {color: #555;}
-.cm-s-default .cm-qualifier {color: #555;}
-.cm-s-default .cm-builtin {color: #30a;}
-.cm-s-default .cm-bracket {color: #997;}
-.cm-s-default .cm-tag {color: #170;}
-.cm-s-default .cm-attribute {color: #00c;}
-.cm-s-default .cm-hr {color: #999;}
-.cm-s-default .cm-link {color: #00c;}
-
-.cm-s-default .cm-error {color: #f00;}
-.cm-invalidchar {color: #f00;}
-
-.CodeMirror-composing { border-bottom: 2px solid; }
-
-/* Default styles for common addons */
-
-div.CodeMirror span.CodeMirror-matchingbracket {color: #0b0;}
-div.CodeMirror span.CodeMirror-nonmatchingbracket {color: #a22;}
-.CodeMirror-matchingtag { background: rgba(255, 150, 0, .3); }
-.CodeMirror-activeline-background {background: #e8f2ff;}
-
-/* STOP */
-
-/* The rest of this file contains styles related to the mechanics of
-   the editor. You probably shouldn't touch them. */
-
-.CodeMirror {
-  position: relative;
-  overflow: hidden;
-  background: white;
+.jp-RenderedText pre .ansi-white-fg {
+  color: #c5c1b4;
 }
 
-.CodeMirror-scroll {
-  overflow: scroll !important; /* Things will break if this is overridden */
-  /* 50px is the magic margin used to hide the element's real scrollbars */
-  /* See overflow: hidden in .CodeMirror */
-  margin-bottom: -50px; margin-right: -50px;
-  padding-bottom: 50px;
-  height: 100%;
-  outline: none; /* Prevent dragging from highlighting the element */
-  position: relative;
-}
-.CodeMirror-sizer {
-  position: relative;
-  border-right: 50px solid transparent;
+.jp-RenderedText pre .ansi-black-bg {
+  background-color: #3e424d;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* The fake, visible scrollbars. Used to force redraw during scrolling
-   before actual scrolling happens, thus preventing shaking and
-   flickering artifacts. */
-.CodeMirror-vscrollbar, .CodeMirror-hscrollbar, .CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  position: absolute;
-  z-index: 6;
-  display: none;
-}
-.CodeMirror-vscrollbar {
-  right: 0; top: 0;
-  overflow-x: hidden;
-  overflow-y: scroll;
-}
-.CodeMirror-hscrollbar {
-  bottom: 0; left: 0;
-  overflow-y: hidden;
-  overflow-x: scroll;
-}
-.CodeMirror-scrollbar-filler {
-  right: 0; bottom: 0;
-}
-.CodeMirror-gutter-filler {
-  left: 0; bottom: 0;
+.jp-RenderedText pre .ansi-red-bg {
+  background-color: #e75c58;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-gutters {
-  position: absolute; left: 0; top: 0;
-  min-height: 100%;
-  z-index: 3;
-}
-.CodeMirror-gutter {
-  white-space: normal;
-  height: 100%;
-  display: inline-block;
-  vertical-align: top;
-  margin-bottom: -50px;
-}
-.CodeMirror-gutter-wrapper {
-  position: absolute;
-  z-index: 4;
-  background: none !important;
-  border: none !important;
-}
-.CodeMirror-gutter-background {
-  position: absolute;
-  top: 0; bottom: 0;
-  z-index: 4;
-}
-.CodeMirror-gutter-elt {
-  position: absolute;
-  cursor: default;
-  z-index: 4;
+.jp-RenderedText pre .ansi-green-bg {
+  background-color: #00a250;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-gutter-wrapper ::selection { background-color: transparent }
-.CodeMirror-gutter-wrapper ::-moz-selection { background-color: transparent }
 
-.CodeMirror-lines {
-  cursor: text;
-  min-height: 1px; /* prevents collapsing before first draw */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  /* Reset some styles that the rest of the page might have set */
-  -moz-border-radius: 0; -webkit-border-radius: 0; border-radius: 0;
-  border-width: 0;
-  background: transparent;
-  font-family: inherit;
-  font-size: inherit;
-  margin: 0;
-  white-space: pre;
-  word-wrap: normal;
-  line-height: inherit;
-  color: inherit;
-  z-index: 2;
-  position: relative;
-  overflow: visible;
-  -webkit-tap-highlight-color: transparent;
-  -webkit-font-variant-ligatures: contextual;
-  font-variant-ligatures: contextual;
-}
-.CodeMirror-wrap pre.CodeMirror-line,
-.CodeMirror-wrap pre.CodeMirror-line-like {
-  word-wrap: break-word;
-  white-space: pre-wrap;
-  word-break: normal;
+.jp-RenderedText pre .ansi-yellow-bg {
+  background-color: #ddb62b;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linebackground {
-  position: absolute;
-  left: 0; right: 0; top: 0; bottom: 0;
-  z-index: 0;
+.jp-RenderedText pre .ansi-blue-bg {
+  background-color: #208ffb;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linewidget {
-  position: relative;
-  z-index: 2;
-  padding: 0.1px; /* Force widget margins to stay inside of the container */
+.jp-RenderedText pre .ansi-magenta-bg {
+  background-color: #d160c4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-widget {}
+.jp-RenderedText pre .ansi-cyan-bg {
+  background-color: #60c6c8;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rtl pre { direction: rtl; }
+.jp-RenderedText pre .ansi-white-bg {
+  background-color: #c5c1b4;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-code {
-  outline: none;
+.jp-RenderedText pre .ansi-black-intense-fg {
+  color: #282c36;
 }
 
-/* Force content-box sizing for the elements where we expect it */
-.CodeMirror-scroll,
-.CodeMirror-sizer,
-.CodeMirror-gutter,
-.CodeMirror-gutters,
-.CodeMirror-linenumber {
-  -moz-box-sizing: content-box;
-  box-sizing: content-box;
+.jp-RenderedText pre .ansi-red-intense-fg {
+  color: #b22b31;
 }
 
-.CodeMirror-measure {
-  position: absolute;
-  width: 100%;
-  height: 0;
-  overflow: hidden;
-  visibility: hidden;
+.jp-RenderedText pre .ansi-green-intense-fg {
+  color: #007427;
 }
 
-.CodeMirror-cursor {
-  position: absolute;
-  pointer-events: none;
+.jp-RenderedText pre .ansi-yellow-intense-fg {
+  color: #b27d12;
 }
-.CodeMirror-measure pre { position: static; }
 
-div.CodeMirror-cursors {
-  visibility: hidden;
-  position: relative;
-  z-index: 3;
+.jp-RenderedText pre .ansi-blue-intense-fg {
+  color: #0065ca;
 }
-div.CodeMirror-dragcursors {
-  visibility: visible;
+
+.jp-RenderedText pre .ansi-magenta-intense-fg {
+  color: #a03196;
 }
 
-.CodeMirror-focused div.CodeMirror-cursors {
-  visibility: visible;
+.jp-RenderedText pre .ansi-cyan-intense-fg {
+  color: #258f8f;
 }
 
-.CodeMirror-selected { background: #d9d9d9; }
-.CodeMirror-focused .CodeMirror-selected { background: #d7d4f0; }
-.CodeMirror-crosshair { cursor: crosshair; }
-.CodeMirror-line::selection, .CodeMirror-line > span::selection, .CodeMirror-line > span > span::selection { background: #d7d4f0; }
-.CodeMirror-line::-moz-selection, .CodeMirror-line > span::-moz-selection, .CodeMirror-line > span > span::-moz-selection { background: #d7d4f0; }
+.jp-RenderedText pre .ansi-white-intense-fg {
+  color: #a1a6b2;
+}
 
-.cm-searching {
-  background-color: #ffa;
-  background-color: rgba(255, 255, 0, .4);
+.jp-RenderedText pre .ansi-black-intense-bg {
+  background-color: #282c36;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* Used to force a border model for a node */
-.cm-force-border { padding-right: .1px; }
+.jp-RenderedText pre .ansi-red-intense-bg {
+  background-color: #b22b31;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-@media print {
-  /* Hide the cursor when printing */
-  .CodeMirror div.CodeMirror-cursors {
-    visibility: hidden;
-  }
+.jp-RenderedText pre .ansi-green-intense-bg {
+  background-color: #007427;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* See issue #2901 */
-.cm-tab-wrap-hack:after { content: ''; }
+.jp-RenderedText pre .ansi-yellow-intense-bg {
+  background-color: #b27d12;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-/* Help users use markselection to safely style text background */
-span.CodeMirror-selectedtext { background: none; }
+.jp-RenderedText pre .ansi-blue-intense-bg {
+  background-color: #0065ca;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-dialog {
-  position: absolute;
-  left: 0; right: 0;
-  background: inherit;
-  z-index: 15;
-  padding: .1em .8em;
-  overflow: hidden;
-  color: inherit;
+.jp-RenderedText pre .ansi-magenta-intense-bg {
+  background-color: #a03196;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-top {
-  border-bottom: 1px solid #eee;
-  top: 0;
+.jp-RenderedText pre .ansi-cyan-intense-bg {
+  background-color: #258f8f;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-bottom {
-  border-top: 1px solid #eee;
-  bottom: 0;
+.jp-RenderedText pre .ansi-white-intense-bg {
+  background-color: #a1a6b2;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog input {
-  border: none;
-  outline: none;
-  background: transparent;
-  width: 20em;
-  color: inherit;
-  font-family: monospace;
+.jp-RenderedText pre .ansi-default-inverse-fg {
+  color: var(--jp-ui-inverse-font-color0);
 }
 
-.CodeMirror-dialog button {
-  font-size: 70%;
+.jp-RenderedText pre .ansi-default-inverse-bg {
+  background-color: var(--jp-inverse-layout-color0);
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-foldmarker {
-  color: blue;
-  text-shadow: #b9f 1px 1px 2px, #b9f -1px -1px 2px, #b9f 1px -1px 2px, #b9f -1px 1px 2px;
-  font-family: arial;
-  line-height: .3;
-  cursor: pointer;
-}
-.CodeMirror-foldgutter {
-  width: .7em;
-}
-.CodeMirror-foldgutter-open,
-.CodeMirror-foldgutter-folded {
-  cursor: pointer;
+.jp-RenderedText pre .ansi-bold {
+  font-weight: bold;
 }
-.CodeMirror-foldgutter-open:after {
-  content: "\25BE";
+
+.jp-RenderedText pre .ansi-underline {
+  text-decoration: underline;
 }
-.CodeMirror-foldgutter-folded:after {
-  content: "\25B8";
+
+.jp-RenderedText[data-mime-type='application/vnd.jupyter.stderr'] {
+  background: var(--jp-rendermime-error-background);
+  padding-top: var(--jp-code-padding);
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
+| RenderedLatex
 |----------------------------------------------------------------------------*/
 
-.CodeMirror {
-  line-height: var(--jp-code-line-height);
-  font-size: var(--jp-code-font-size);
-  font-family: var(--jp-code-font-family);
-  border: 0;
-  border-radius: 0;
-  height: auto;
-  /* Changed to auto to autogrow */
+.jp-RenderedLatex {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 }
 
-.CodeMirror pre {
-  padding: 0 var(--jp-code-padding);
+/* Left-justify outputs.*/
+.jp-OutputArea-output.jp-RenderedLatex {
+  padding: var(--jp-code-padding);
+  text-align: left;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-dialog {
-  background-color: var(--jp-layout-color0);
+/*-----------------------------------------------------------------------------
+| RenderedHTML
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedHTMLCommon {
   color: var(--jp-content-font-color1);
+  font-family: var(--jp-content-font-family);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
+
+  /* Give a bit more R padding on Markdown text to keep line lengths reasonable */
+  padding-right: 20px;
 }
 
-/* This causes https://github.com/jupyter/jupyterlab/issues/522 */
-/* May not cause it not because we changed it! */
-.CodeMirror-lines {
-  padding: var(--jp-code-padding) 0;
+.jp-RenderedHTMLCommon em {
+  font-style: italic;
 }
 
-.CodeMirror-linenumber {
-  padding: 0 8px;
+.jp-RenderedHTMLCommon strong {
+  font-weight: bold;
 }
 
-.jp-CodeMirrorEditor {
-  cursor: text;
+.jp-RenderedHTMLCommon u {
+  text-decoration: underline;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
+.jp-RenderedHTMLCommon a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
-@media screen and (min-width: 2138px) and (max-width: 4319px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width1) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out less than 33% */
-@media screen and (min-width: 4320px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width2) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror.jp-mod-readOnly .CodeMirror-cursor {
-  display: none;
+/* Headings */
+
+.jp-RenderedHTMLCommon h1,
+.jp-RenderedHTMLCommon h2,
+.jp-RenderedHTMLCommon h3,
+.jp-RenderedHTMLCommon h4,
+.jp-RenderedHTMLCommon h5,
+.jp-RenderedHTMLCommon h6 {
+  line-height: var(--jp-content-heading-line-height);
+  font-weight: var(--jp-content-heading-font-weight);
+  font-style: normal;
+  margin: var(--jp-content-heading-margin-top) 0
+    var(--jp-content-heading-margin-bottom) 0;
 }
 
-.CodeMirror-gutters {
-  border-right: 1px solid var(--jp-border-color2);
-  background-color: var(--jp-layout-color0);
+.jp-RenderedHTMLCommon h1:first-child,
+.jp-RenderedHTMLCommon h2:first-child,
+.jp-RenderedHTMLCommon h3:first-child,
+.jp-RenderedHTMLCommon h4:first-child,
+.jp-RenderedHTMLCommon h5:first-child,
+.jp-RenderedHTMLCommon h6:first-child {
+  margin-top: calc(0.5 * var(--jp-content-heading-margin-top));
 }
 
-.jp-CollaboratorCursor {
-  border-left: 5px solid transparent;
-  border-right: 5px solid transparent;
-  border-top: none;
-  border-bottom: 3px solid;
-  background-clip: content-box;
-  margin-left: -5px;
-  margin-right: -5px;
+.jp-RenderedHTMLCommon h1:last-child,
+.jp-RenderedHTMLCommon h2:last-child,
+.jp-RenderedHTMLCommon h3:last-child,
+.jp-RenderedHTMLCommon h4:last-child,
+.jp-RenderedHTMLCommon h5:last-child,
+.jp-RenderedHTMLCommon h6:last-child {
+  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
 }
 
-.CodeMirror-selectedtext.cm-searching {
-  background-color: var(--jp-search-selected-match-background-color) !important;
-  color: var(--jp-search-selected-match-color) !important;
+.jp-RenderedHTMLCommon h1 {
+  font-size: var(--jp-content-font-size5);
 }
 
-.cm-searching {
-  background-color: var(
-    --jp-search-unselected-match-background-color
-  ) !important;
-  color: var(--jp-search-unselected-match-color) !important;
+.jp-RenderedHTMLCommon h2 {
+  font-size: var(--jp-content-font-size4);
 }
 
-.CodeMirror-focused .CodeMirror-selected {
-  background-color: var(--jp-editor-selected-focused-background);
+.jp-RenderedHTMLCommon h3 {
+  font-size: var(--jp-content-font-size3);
 }
 
-.CodeMirror-selected {
-  background-color: var(--jp-editor-selected-background);
+.jp-RenderedHTMLCommon h4 {
+  font-size: var(--jp-content-font-size2);
 }
 
-.jp-CollaboratorCursor-hover {
-  position: absolute;
-  z-index: 1;
-  transform: translateX(-50%);
-  color: white;
-  border-radius: 3px;
-  padding-left: 4px;
-  padding-right: 4px;
-  padding-top: 1px;
-  padding-bottom: 1px;
-  text-align: center;
-  font-size: var(--jp-ui-font-size1);
-  white-space: nowrap;
+.jp-RenderedHTMLCommon h5 {
+  font-size: var(--jp-content-font-size1);
 }
 
-.jp-CodeMirror-ruler {
-  border-left: 1px dashed var(--jp-border-color2);
+.jp-RenderedHTMLCommon h6 {
+  font-size: var(--jp-content-font-size0);
 }
 
-/**
- * Here is our jupyter theme for CodeMirror syntax highlighting
- * This is used in our marked.js syntax highlighting and CodeMirror itself
- * The string "jupyter" is set in ../codemirror/widget.DEFAULT_CODEMIRROR_THEME
- * This came from the classic notebook, which came form highlight.js/GitHub
- */
+/* Lists */
 
-/**
- * CodeMirror themes are handling the background/color in this way. This works
- * fine for CodeMirror editors outside the notebook, but the notebook styles
- * these things differently.
- */
-.CodeMirror.cm-s-jupyter {
-  background: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-}
+/* stylelint-disable selector-max-type, selector-max-compound-selectors */
 
-/* In the notebook, we want this styling to be handled by its container */
-.jp-CodeConsole .CodeMirror.cm-s-jupyter,
-.jp-Notebook .CodeMirror.cm-s-jupyter {
-  background: transparent;
+.jp-RenderedHTMLCommon ul:not(.list-inline),
+.jp-RenderedHTMLCommon ol:not(.list-inline) {
+  padding-left: 2em;
 }
 
-.cm-s-jupyter .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
-.cm-s-jupyter span.cm-keyword {
-  color: var(--jp-mirror-editor-keyword-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-atom {
-  color: var(--jp-mirror-editor-atom-color);
-}
-.cm-s-jupyter span.cm-number {
-  color: var(--jp-mirror-editor-number-color);
-}
-.cm-s-jupyter span.cm-def {
-  color: var(--jp-mirror-editor-def-color);
-}
-.cm-s-jupyter span.cm-variable {
-  color: var(--jp-mirror-editor-variable-color);
-}
-.cm-s-jupyter span.cm-variable-2 {
-  color: var(--jp-mirror-editor-variable-2-color);
-}
-.cm-s-jupyter span.cm-variable-3 {
-  color: var(--jp-mirror-editor-variable-3-color);
-}
-.cm-s-jupyter span.cm-punctuation {
-  color: var(--jp-mirror-editor-punctuation-color);
-}
-.cm-s-jupyter span.cm-property {
-  color: var(--jp-mirror-editor-property-color);
-}
-.cm-s-jupyter span.cm-operator {
-  color: var(--jp-mirror-editor-operator-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-comment {
-  color: var(--jp-mirror-editor-comment-color);
-  font-style: italic;
-}
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+  position: absolute;
+  background-color: var(--jp-toolbar-background);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  border-left: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  top: 0;
+  right: 0;
+  z-index: 7;
+  min-width: 405px;
+  padding: 2px;
+  font-size: var(--jp-ui-font-size1);
 
-.jp-RenderedHTMLCommon h1 {
-  font-size: var(--jp-content-font-size5);
+  --jp-private-document-search-button-height: 20px;
 }
 
-.jp-RenderedHTMLCommon h2 {
-  font-size: var(--jp-content-font-size4);
+.jp-DocumentSearch-overlay button {
+  background-color: var(--jp-toolbar-background);
+  outline: 0;
 }
 
-.jp-RenderedHTMLCommon h3 {
-  font-size: var(--jp-content-font-size3);
+.jp-DocumentSearch-overlay button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon h4 {
-  font-size: var(--jp-content-font-size2);
+.jp-DocumentSearch-overlay button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon h5 {
-  font-size: var(--jp-content-font-size1);
+.jp-DocumentSearch-overlay-row {
+  display: flex;
+  align-items: center;
+  margin-bottom: 2px;
 }
 
-.jp-RenderedHTMLCommon h6 {
-  font-size: var(--jp-content-font-size0);
+.jp-DocumentSearch-button-content {
+  display: inline-block;
+  cursor: pointer;
+  box-sizing: border-box;
+  width: 100%;
+  height: 100%;
 }
 
-/* Lists */
+.jp-DocumentSearch-button-content svg {
+  width: 100%;
+  height: 100%;
+}
 
-.jp-RenderedHTMLCommon ul:not(.list-inline),
-.jp-RenderedHTMLCommon ol:not(.list-inline) {
-  padding-left: 2em;
+.jp-DocumentSearch-input-wrapper {
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  display: flex;
+  background-color: var(--jp-layout-color0);
+  margin: 2px;
 }
 
-.jp-RenderedHTMLCommon ul {
-  list-style: disc;
+.jp-DocumentSearch-input-wrapper:focus-within {
+  border-color: var(--jp-cell-editor-active-border-color);
 }
 
-.jp-RenderedHTMLCommon ul ul {
-  list-style: square;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper {
+  all: initial;
+  overflow: hidden;
+  display: inline-block;
+  border: none;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon ul ul ul {
-  list-style: circle;
+.jp-DocumentSearch-toggle-wrapper {
+  width: 14px;
+  height: 14px;
 }
 
-.jp-RenderedHTMLCommon ol {
-  list-style: decimal;
+.jp-DocumentSearch-button-wrapper {
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
 }
 
-.jp-RenderedHTMLCommon ol ol {
-  list-style: upper-alpha;
+.jp-DocumentSearch-toggle-wrapper:focus,
+.jp-DocumentSearch-button-wrapper:focus {
+  outline: var(--jp-border-width) solid
+    var(--jp-cell-editor-active-border-color);
+  outline-offset: -1px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol {
-  list-style: lower-alpha;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper,
+.jp-DocumentSearch-button-content:focus {
+  outline: none;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol {
-  list-style: lower-roman;
+.jp-DocumentSearch-toggle-placeholder {
+  width: 5px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol ol {
-  list-style: decimal;
+.jp-DocumentSearch-input-button::before {
+  display: block;
+  padding-top: 100%;
 }
 
-.jp-RenderedHTMLCommon ol,
-.jp-RenderedHTMLCommon ul {
-  margin-bottom: 1em;
+.jp-DocumentSearch-input-button-off {
+  opacity: var(--jp-search-toggle-off-opacity);
 }
 
-.jp-RenderedHTMLCommon ul ul,
-.jp-RenderedHTMLCommon ul ol,
-.jp-RenderedHTMLCommon ol ul,
-.jp-RenderedHTMLCommon ol ol {
-  margin-bottom: 0em;
+.jp-DocumentSearch-input-button-off:hover {
+  opacity: var(--jp-search-toggle-hover-opacity);
 }
 
-.jp-RenderedHTMLCommon hr {
-  color: var(--jp-border-color2);
-  background-color: var(--jp-border-color1);
-  margin-top: 1em;
-  margin-bottom: 1em;
+.jp-DocumentSearch-input-button-on {
+  opacity: var(--jp-search-toggle-on-opacity);
 }
 
-.jp-RenderedHTMLCommon > pre {
-  margin: 1.5em 2em;
+.jp-DocumentSearch-index-counter {
+  padding-left: 10px;
+  padding-right: 10px;
+  user-select: none;
+  min-width: 35px;
+  display: inline-block;
 }
 
-.jp-RenderedHTMLCommon pre,
-.jp-RenderedHTMLCommon code {
-  border: 0;
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  line-height: var(--jp-code-line-height);
-  padding: 0;
-  white-space: pre-wrap;
+.jp-DocumentSearch-up-down-wrapper {
+  display: inline-block;
+  padding-right: 2px;
+  margin-left: auto;
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon :not(pre) > code {
-  background-color: var(--jp-layout-color2);
-  padding: 1px 5px;
+.jp-DocumentSearch-spacer {
+  margin-left: auto;
 }
 
-/* Tables */
-
-.jp-RenderedHTMLCommon table {
-  border-collapse: collapse;
-  border-spacing: 0;
+.jp-DocumentSearch-up-down-wrapper button {
+  outline: 0;
   border: none;
-  color: var(--jp-ui-font-color1);
-  font-size: 12px;
-  table-layout: fixed;
-  margin-left: auto;
-  margin-right: auto;
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
+  vertical-align: middle;
+  margin: 1px 5px 2px;
 }
 
-.jp-RenderedHTMLCommon thead {
-  border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
-  vertical-align: bottom;
+.jp-DocumentSearch-up-down-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon td,
-.jp-RenderedHTMLCommon th,
-.jp-RenderedHTMLCommon tr {
-  vertical-align: middle;
-  padding: 0.5em 0.5em;
-  line-height: normal;
-  white-space: normal;
-  max-width: none;
-  border: none;
+.jp-DocumentSearch-up-down-button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon td,
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon th {
-  max-width: none;
+.jp-DocumentSearch-filter-button {
+  border-radius: var(--jp-border-radius);
 }
 
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon td,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon th,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon tr {
-  text-align: right;
+.jp-DocumentSearch-filter-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon th {
-  font-weight: bold;
+.jp-DocumentSearch-filter-button-enabled {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(odd) {
-  background: var(--jp-layout-color0);
+.jp-DocumentSearch-filter-button-enabled:hover {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(even) {
-  background: var(--jp-rendermime-table-row-background);
+.jp-DocumentSearch-search-options {
+  padding: 0 8px;
+  margin-left: 3px;
+  width: 100%;
+  display: grid;
+  justify-content: start;
+  grid-template-columns: 1fr 1fr;
+  align-items: center;
+  justify-items: stretch;
 }
 
-.jp-RenderedHTMLCommon tbody tr:hover {
-  background: var(--jp-rendermime-table-row-hover-background);
+.jp-DocumentSearch-search-filter-disabled {
+  color: var(--jp-ui-font-color2);
 }
 
-.jp-RenderedHTMLCommon table {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-filter {
+  display: flex;
+  align-items: center;
+  user-select: none;
 }
 
-.jp-RenderedHTMLCommon p {
-  text-align: left;
-  margin: 0px;
+.jp-DocumentSearch-regex-error {
+  color: var(--jp-error-color0);
 }
 
-.jp-RenderedHTMLCommon p {
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button-wrapper {
+  overflow: hidden;
+  display: inline-block;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  margin: auto 2px;
+  padding: 1px 4px;
+  height: calc(var(--jp-private-document-search-button-height) + 2px);
 }
 
-.jp-RenderedHTMLCommon img {
-  -moz-force-broken-image-icon: 1;
+.jp-DocumentSearch-replace-button-wrapper:focus {
+  border: var(--jp-border-width) solid var(--jp-cell-editor-active-border-color);
 }
 
-/* Restrict to direct children as other images could be nested in other content. */
-.jp-RenderedHTMLCommon > img {
-  display: block;
-  margin-left: 0;
-  margin-right: 0;
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button {
+  display: inline-block;
+  text-align: center;
+  cursor: pointer;
+  box-sizing: border-box;
+  color: var(--jp-ui-font-color1);
+
+  /* height - 2 * (padding of wrapper) */
+  line-height: calc(var(--jp-private-document-search-button-height) - 2px);
+  width: 100%;
+  height: 100%;
 }
 
-/* Change color behind transparent images if they need it... */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-light-background {
-  background-color: var(--jp-inverse-layout-color1);
+.jp-DocumentSearch-replace-button:focus {
+  outline: none;
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-dark-background {
-  background-color: var(--jp-inverse-layout-color1);
+
+.jp-DocumentSearch-replace-wrapper-class {
+  margin-left: 14px;
+  display: flex;
 }
-/* ...or leave it untouched if they don't */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-dark-background {
+
+.jp-DocumentSearch-replace-toggle {
+  border: none;
+  background-color: var(--jp-toolbar-background);
+  border-radius: var(--jp-border-radius);
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-light-background {
+
+.jp-DocumentSearch-replace-toggle:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon img,
-.jp-RenderedImage img,
-.jp-RenderedHTMLCommon svg,
-.jp-RenderedSVG svg {
-  max-width: 100%;
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.cm-editor {
+  line-height: var(--jp-code-line-height);
+  font-size: var(--jp-code-font-size);
+  font-family: var(--jp-code-font-family);
+  border: 0;
+  border-radius: 0;
   height: auto;
-}
 
-.jp-RenderedHTMLCommon img.jp-mod-unconfined,
-.jp-RenderedImage img.jp-mod-unconfined,
-.jp-RenderedHTMLCommon svg.jp-mod-unconfined,
-.jp-RenderedSVG svg.jp-mod-unconfined {
-  max-width: none;
+  /* Changed to auto to autogrow */
 }
 
-.jp-RenderedHTMLCommon .alert {
-  padding: var(--jp-notebook-padding);
-  border: var(--jp-border-width) solid transparent;
-  border-radius: var(--jp-border-radius);
-  margin-bottom: 1em;
+.cm-editor pre {
+  padding: 0 var(--jp-code-padding);
 }
 
-.jp-RenderedHTMLCommon .alert-info {
-  color: var(--jp-info-color0);
-  background-color: var(--jp-info-color3);
-  border-color: var(--jp-info-color2);
+.jp-CodeMirrorEditor[data-type='inline'] .cm-dialog {
+  background-color: var(--jp-layout-color0);
+  color: var(--jp-content-font-color1);
 }
-.jp-RenderedHTMLCommon .alert-info hr {
-  border-color: var(--jp-info-color3);
+
+.jp-CodeMirrorEditor {
+  cursor: text;
 }
-.jp-RenderedHTMLCommon .alert-info > p:last-child,
-.jp-RenderedHTMLCommon .alert-info > ul:last-child {
-  margin-bottom: 0;
+
+/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
+@media screen and (min-width: 2138px) and (max-width: 4319px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width1) solid
+      var(--jp-editor-cursor-color);
+  }
 }
 
-.jp-RenderedHTMLCommon .alert-warning {
-  color: var(--jp-warn-color0);
-  background-color: var(--jp-warn-color3);
-  border-color: var(--jp-warn-color2);
+/* When zoomed out less than 33% */
+@media screen and (min-width: 4320px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width2) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning hr {
-  border-color: var(--jp-warn-color3);
+
+.cm-editor.jp-mod-readOnly .cm-cursor {
+  display: none;
 }
-.jp-RenderedHTMLCommon .alert-warning > p:last-child,
-.jp-RenderedHTMLCommon .alert-warning > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor {
+  border-left: 5px solid transparent;
+  border-right: 5px solid transparent;
+  border-top: none;
+  border-bottom: 3px solid;
+  background-clip: content-box;
+  margin-left: -5px;
+  margin-right: -5px;
 }
 
-.jp-RenderedHTMLCommon .alert-success {
-  color: var(--jp-success-color0);
-  background-color: var(--jp-success-color3);
-  border-color: var(--jp-success-color2);
+.cm-searching,
+.cm-searching span {
+  /* `.cm-searching span`: we need to override syntax highlighting */
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success hr {
-  border-color: var(--jp-success-color3);
+
+.cm-searching::selection,
+.cm-searching span::selection {
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success > p:last-child,
-.jp-RenderedHTMLCommon .alert-success > ul:last-child {
-  margin-bottom: 0;
+
+.jp-current-match > .cm-searching,
+.jp-current-match > .cm-searching span,
+.cm-searching > .jp-current-match,
+.cm-searching > .jp-current-match span {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
 
-.jp-RenderedHTMLCommon .alert-danger {
-  color: var(--jp-error-color0);
-  background-color: var(--jp-error-color3);
-  border-color: var(--jp-error-color2);
+.jp-current-match > .cm-searching::selection,
+.cm-searching > .jp-current-match::selection,
+.jp-current-match > .cm-searching span::selection {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger hr {
-  border-color: var(--jp-error-color3);
+
+.cm-trailingspace {
+  background-image: url(data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAFCAYAAAB4ka1VAAAAsElEQVQIHQGlAFr/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA7+r3zKmT0/+pk9P/7+r3zAAAAAAAAAAABAAAAAAAAAAA6OPzM+/q9wAAAAAA6OPzMwAAAAAAAAAAAgAAAAAAAAAAGR8NiRQaCgAZIA0AGR8NiQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQyoYJ/SY80UAAAAASUVORK5CYII=);
+  background-position: center left;
+  background-repeat: repeat-x;
 }
-.jp-RenderedHTMLCommon .alert-danger > p:last-child,
-.jp-RenderedHTMLCommon .alert-danger > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor-hover {
+  position: absolute;
+  z-index: 1;
+  transform: translateX(-50%);
+  color: white;
+  border-radius: 3px;
+  padding-left: 4px;
+  padding-right: 4px;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  text-align: center;
+  font-size: var(--jp-ui-font-size1);
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon blockquote {
-  margin: 1em 2em;
-  padding: 0 1em;
-  border-left: 5px solid var(--jp-border-color2);
+.jp-CodeMirror-ruler {
+  border-left: 1px dashed var(--jp-border-color2);
 }
 
-a.jp-InternalAnchorLink {
-  visibility: hidden;
-  margin-left: 8px;
-  color: var(--md-blue-800);
+/* Styles for shared cursors (remote cursor locations and selected ranges) */
+.jp-CodeMirrorEditor .cm-ySelectionCaret {
+  position: relative;
+  border-left: 1px solid black;
+  margin-left: -1px;
+  margin-right: -1px;
+  box-sizing: border-box;
 }
 
-h1:hover .jp-InternalAnchorLink,
-h2:hover .jp-InternalAnchorLink,
-h3:hover .jp-InternalAnchorLink,
-h4:hover .jp-InternalAnchorLink,
-h5:hover .jp-InternalAnchorLink,
-h6:hover .jp-InternalAnchorLink {
-  visibility: visible;
+.jp-CodeMirrorEditor .cm-ySelectionCaret > .cm-ySelectionInfo {
+  white-space: nowrap;
+  position: absolute;
+  top: -1.15em;
+  padding-bottom: 0.05em;
+  left: -1px;
+  font-size: 0.95em;
+  font-family: var(--jp-ui-font-family);
+  font-weight: bold;
+  line-height: normal;
+  user-select: none;
+  color: white;
+  padding-left: 2px;
+  padding-right: 2px;
+  z-index: 101;
+  transition: opacity 0.3s ease-in-out;
 }
 
-.jp-RenderedHTMLCommon kbd {
-  background-color: var(--jp-rendermime-table-row-background);
-  border: 1px solid var(--jp-border-color0);
-  border-bottom-color: var(--jp-border-color2);
-  border-radius: 3px;
-  box-shadow: inset 0 -1px 0 rgba(0, 0, 0, 0.25);
-  display: inline-block;
-  font-size: 0.8em;
-  line-height: 1em;
-  padding: 0.2em 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionInfo {
+  transition-delay: 0.7s;
+  opacity: 0;
 }
 
-/* Most direct children of .jp-RenderedHTMLCommon have a margin-bottom of 1.0.
- * At the bottom of cells this is a bit too much as there is also spacing
- * between cells. Going all the way to 0 gets too tight between markdown and
- * code cells.
- */
-.jp-RenderedHTMLCommon > *:last-child {
-  margin-bottom: 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionCaret:hover > .cm-ySelectionInfo {
+  opacity: 1;
+  transition-delay: 0s;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12474,31 +4978,36 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser {
-  display: flex;
-  flex-direction: column;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
+.jp-FileBrowser .jp-SidePanel-content {
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-FileBrowser-toolbar.jp-Toolbar {
+  flex-wrap: wrap;
+  row-gap: 12px;
   border-bottom: none;
   height: auto;
-  margin: var(--jp-toolbar-header-margin);
+  margin: 8px 12px 0;
   box-shadow: none;
+  padding: 0;
+  justify-content: flex-start;
+}
+
+.jp-FileBrowser-Panel {
+  flex: 1 1 auto;
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-BreadCrumbs {
   flex: 0 0 auto;
-  margin: 8px 12px 8px 12px;
+  margin: 8px 12px;
 }
 
 .jp-BreadCrumbs-item {
-  margin: 0px 2px;
-  padding: 0px 2px;
+  margin: 0 2px;
+  padding: 0 2px;
   border-radius: var(--jp-border-radius);
   cursor: pointer;
 }
@@ -12508,7 +5017,7 @@
 }
 
 .jp-BreadCrumbs-item:first-child {
-  margin-left: 0px;
+  margin-left: 0;
 }
 
 .jp-BreadCrumbs-item.jp-mod-dropTarget {
@@ -12520,45 +5029,24 @@
 | Buttons
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  padding: 0px;
-  margin: 8px 12px 0px 12px;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  justify-content: flex-start;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-Toolbar-item {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item {
   flex: 0 0 auto;
-  padding-left: 0px;
+  padding-left: 0;
   padding-right: 2px;
+  align-items: center;
+  height: unset;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-ToolbarButtonComponent {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item .jp-ToolbarButtonComponent {
   width: 40px;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent {
-  width: 72px;
-  background: var(--jp-brand-color1);
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent
-  .jp-icon3 {
-  fill: white;
-}
-
 /*-----------------------------------------------------------------------------
 | Other styles
 |----------------------------------------------------------------------------*/
 
 .jp-FileDialog.jp-mod-conflict input {
-  color: red;
+  color: var(--jp-error-color1);
 }
 
 .jp-FileDialog .jp-new-name-title {
@@ -12569,10 +5057,12 @@
   display: none;
 }
 
-.jp-FileBrowser-filterBox {
-  padding: 0px;
-  flex: 0 0 auto;
-  margin: 8px 12px 0px 12px;
+.jp-FileSize-hidden {
+  display: none;
+}
+
+.jp-FileBrowser .lm-AccordionPanel > h3:first-child {
+  display: none;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12590,6 +5080,7 @@
   flex: 0 0 auto;
   display: flex;
   flex-direction: row;
+  align-items: center;
   overflow: hidden;
   border-top: var(--jp-border-width) solid var(--jp-border-color2);
   border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
@@ -12598,7 +5089,7 @@
 }
 
 .jp-DirListing-headerItem {
-  padding: 4px 12px 2px 12px;
+  padding: 4px 12px 2px;
   font-weight: 500;
 }
 
@@ -12616,10 +5107,16 @@
   text-align: right;
 }
 
+.jp-DirListing-headerItem.jp-id-filesize {
+  flex: 0 0 75px;
+  border-left: var(--jp-border-width) solid var(--jp-border-color2);
+  text-align: right;
+}
+
 .jp-id-narrow {
   display: none;
   flex: 0 0 5px;
-  padding: 4px 4px;
+  padding: 4px;
   border-left: var(--jp-border-width) solid var(--jp-border-color2);
   text-align: right;
   color: var(--jp-border-color2);
@@ -12654,6 +5151,10 @@
   font-weight: bold;
 }
 
+.jp-DirListing-content .jp-DirListing-item.jp-mod-selected mark {
+  color: var(--jp-ui-inverse-font-color0);
+}
+
 /* Style the directory listing content when a user drops a file to upload */
 .jp-DirListing.jp-mod-native-drop .jp-DirListing-content {
   outline: 5px dashed rgba(128, 128, 128, 0.5);
@@ -12664,6 +5165,7 @@
 .jp-DirListing-item {
   display: flex;
   flex-direction: row;
+  align-items: center;
   padding: 4px 12px;
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12671,12 +5173,46 @@
   user-select: none;
 }
 
+.jp-DirListing-checkboxWrapper {
+  /* Increases hit area of checkbox. */
+  padding: 4px;
+}
+
+.jp-DirListing-header
+  .jp-DirListing-checkboxWrapper
+  + .jp-DirListing-headerItem {
+  padding-left: 4px;
+}
+
+.jp-DirListing-content .jp-DirListing-checkboxWrapper {
+  position: relative;
+  left: -4px;
+  margin: -4px 0 -4px -8px;
+}
+
+.jp-DirListing-checkboxWrapper.jp-mod-visible {
+  visibility: visible;
+}
+
+/* For devices that support hovering, hide checkboxes until hovered, selected...
+*/
+@media (hover: hover) {
+  .jp-DirListing-checkboxWrapper {
+    visibility: hidden;
+  }
+
+  .jp-DirListing-item:hover .jp-DirListing-checkboxWrapper,
+  .jp-DirListing-item.jp-mod-selected .jp-DirListing-checkboxWrapper {
+    visibility: visible;
+  }
+}
+
 .jp-DirListing-item[data-is-dot] {
   opacity: 75%;
 }
 
 .jp-DirListing-item.jp-mod-selected {
-  color: white;
+  color: var(--jp-ui-inverse-font-color1);
   background: var(--jp-brand-color1);
 }
 
@@ -12701,25 +5237,48 @@
   user-select: none;
 }
 
+.jp-DirListing-itemText:focus {
+  outline-width: 2px;
+  outline-color: var(--jp-inverse-layout-color1);
+  outline-style: solid;
+  outline-offset: 1px;
+}
+
+.jp-DirListing-item.jp-mod-selected .jp-DirListing-itemText:focus {
+  outline-color: var(--jp-layout-color1);
+}
+
 .jp-DirListing-itemModified {
   flex: 0 0 125px;
   text-align: right;
 }
 
+.jp-DirListing-itemFileSize {
+  flex: 0 0 90px;
+  text-align: right;
+}
+
 .jp-DirListing-editor {
   flex: 1 0 64px;
   outline: none;
   border: none;
+  color: var(--jp-ui-font-color1);
+  background-color: var(--jp-layout-color1);
 }
 
-.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon:before {
-  color: limegreen;
+.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon::before {
+  color: var(--jp-success-color1);
   content: '\25CF';
   font-size: 8px;
   position: absolute;
   left: -8px;
 }
 
+.jp-DirListing-item.jp-mod-running.jp-mod-selected
+  .jp-DirListing-itemIcon::before {
+  color: var(--jp-ui-inverse-font-color1);
+}
+
 .jp-DirListing-item.lm-mod-drag-image,
 .jp-DirListing-item.jp-mod-selected.lm-mod-drag-image {
   font-size: var(--jp-ui-font-size1);
@@ -12728,20 +5287,11 @@
   width: 160px;
   background-color: var(--jp-ui-inverse-font-color2);
   box-shadow: var(--jp-elevation-z2);
-  border-radius: 0px;
+  border-radius: 0;
   color: var(--jp-ui-font-color1);
   transform: translateX(-40%) translateY(-58%);
 }
 
-.jp-DirListing-deadSpace {
-  flex: 1 1 auto;
-  margin: 0;
-  padding: 0;
-  list-style-type: none;
-  overflow: auto;
-  background-color: var(--jp-layout-color1);
-}
-
 .jp-Document {
   min-width: 120px;
   min-height: 120px;
@@ -12753,13 +5303,6 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/*-----------------------------------------------------------------------------
-| Private CSS variables
-|----------------------------------------------------------------------------*/
-
-:root {
-}
-
 /*-----------------------------------------------------------------------------
 | Main OutputArea
 | OutputArea has a list of Outputs
@@ -12770,12 +5313,14 @@
 }
 
 .jp-OutputArea-child {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+  overflow: hidden;
 }
 
 .jp-OutputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-outprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -12784,11 +5329,13 @@
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
   opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12796,7 +5343,14 @@
   user-select: none;
 }
 
+.jp-OutputArea-prompt {
+  display: table-cell;
+  vertical-align: top;
+}
+
 .jp-OutputArea-output {
+  display: table-cell;
+  width: 100%;
   height: auto;
   overflow: auto;
   user-select: text;
@@ -12805,9 +5359,30 @@
   -ms-user-select: text;
 }
 
-.jp-OutputArea-child .jp-OutputArea-output {
-  flex-grow: 1;
-  flex-shrink: 1;
+.jp-OutputArea .jp-RenderedText {
+  padding-left: 1ch;
+}
+
+/**
+ * Prompt overlay.
+ */
+
+.jp-OutputArea-promptOverlay {
+  position: absolute;
+  top: 0;
+  width: var(--jp-cell-prompt-width);
+  height: 100%;
+  opacity: 0.5;
+}
+
+.jp-OutputArea-promptOverlay:hover {
+  background: var(--jp-layout-color2);
+  box-shadow: inset 0 0 1px var(--jp-inverse-layout-color0);
+  cursor: zoom-out;
+}
+
+.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay:hover {
+  cursor: zoom-in;
 }
 
 /**
@@ -12819,7 +5394,7 @@
 }
 
 /*
-When drag events occur, `p-mod-override-cursor` is added to the body.
+When drag events occur, `lm-mod-override-cursor` is added to the body.
 Because iframes steal all cursor events, the following two rules are necessary
 to suppress pointer events while resize drags are occurring. There may be a
 better solution to this problem.
@@ -12828,7 +5403,7 @@
   position: relative;
 }
 
-body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated:before {
+body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated::before {
   content: '';
   position: absolute;
   top: 0;
@@ -12842,8 +5417,8 @@
 
 .jp-OutputArea-output pre {
   border: none;
-  margin: 0px;
-  padding: 0px;
+  margin: 0;
+  padding: 0;
   overflow-x: auto;
   overflow-y: auto;
   word-break: break-all;
@@ -12888,6 +5463,13 @@
   margin: 0;
 }
 
+.jp-TrimmedOutputs pre {
+  background: var(--jp-layout-color3);
+  font-size: calc(var(--jp-code-font-size) * 1.4);
+  text-align: center;
+  text-transform: uppercase;
+}
+
 /* Hide the gutter in case of
  *  - nested output areas (e.g. in the case of output widgets)
  *  - mirrored output areas
@@ -12896,14 +5478,20 @@
   display: none;
 }
 
+/* Hide empty lines in the output area, for instance due to cleared widgets */
+.jp-OutputArea-prompt:empty {
+  padding: 0;
+  border: 0;
+}
+
 /*-----------------------------------------------------------------------------
 | executeResult is added to any Output-result for the display of the object
 | returned by a cell
 |----------------------------------------------------------------------------*/
 
 .jp-OutputArea-output.jp-OutputArea-executeResult {
-  margin-left: 0px;
-  flex: 1 1 auto;
+  margin-left: 0;
+  width: 100%;
 }
 
 /* Text output with the Out[] prompt needs a top padding to match the
@@ -12918,12 +5506,6 @@
 | The Stdin output
 |----------------------------------------------------------------------------*/
 
-.jp-OutputArea-stdin {
-  line-height: var(--jp-code-line-height);
-  padding-top: var(--jp-code-padding);
-  display: flex;
-}
-
 .jp-Stdin-prompt {
   color: var(--jp-content-font-color0);
   padding-right: var(--jp-code-padding);
@@ -12938,18 +5520,28 @@
   background-color: inherit;
   width: 42%;
   min-width: 200px;
+
   /* make sure input baseline aligns with prompt */
   vertical-align: baseline;
+
   /* padding + margin = 0.5em between prompt and cursor */
-  padding: 0em 0.25em;
-  margin: 0em 0.25em;
+  padding: 0 0.25em;
+  margin: 0 0.25em;
   flex: 0 0 70%;
 }
 
+.jp-Stdin-input::placeholder {
+  opacity: 0;
+}
+
 .jp-Stdin-input:focus {
   box-shadow: none;
 }
 
+.jp-Stdin-input:focus::placeholder {
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Output Area View
 |----------------------------------------------------------------------------*/
@@ -12963,6 +5555,160 @@
   height: 100%;
 }
 
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+@media print {
+  .jp-OutputArea-child {
+    break-inside: avoid-page;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-OutputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+
+  .jp-OutputArea-child .jp-OutputArea-output {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+}
+
+/* Trimmed outputs warning */
+.jp-TrimmedOutputs > a {
+  margin: 10px;
+  text-decoration: none;
+  cursor: pointer;
+}
+
+.jp-TrimmedOutputs > a:hover {
+  text-decoration: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Table of Contents
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-toc-active-width: 4px;
+}
+
+.jp-TableOfContents {
+  display: flex;
+  flex-direction: column;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  height: 100%;
+}
+
+.jp-TableOfContents-placeholder {
+  text-align: center;
+}
+
+.jp-TableOfContents-placeholderContent {
+  color: var(--jp-content-font-color2);
+  padding: 8px;
+}
+
+.jp-TableOfContents-placeholderContent > h3 {
+  margin-bottom: var(--jp-content-heading-margin-bottom);
+}
+
+.jp-TableOfContents .jp-SidePanel-content {
+  overflow-y: auto;
+}
+
+.jp-TableOfContents-tree {
+  margin: 4px;
+}
+
+.jp-TableOfContents ol {
+  list-style-type: none;
+}
+
+/* stylelint-disable-next-line selector-max-type */
+.jp-TableOfContents li > ol {
+  /* Align left border with triangle icon center */
+  padding-left: 11px;
+}
+
+.jp-TableOfContents-content {
+  /* left margin for the active heading indicator */
+  margin: 0 0 0 var(--jp-private-toc-active-width);
+  padding: 0;
+  background-color: var(--jp-layout-color1);
+}
+
+.jp-tocItem {
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
+
+.jp-tocItem-heading {
+  display: flex;
+  cursor: pointer;
+}
+
+.jp-tocItem-heading:hover {
+  background-color: var(--jp-layout-color2);
+}
+
+.jp-tocItem-content {
+  display: block;
+  padding: 4px 0;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  overflow-x: hidden;
+}
+
+.jp-tocItem-collapser {
+  height: 20px;
+  margin: 2px 2px 0;
+  padding: 0;
+  background: none;
+  border: none;
+  cursor: pointer;
+}
+
+.jp-tocItem-collapser:hover {
+  background-color: var(--jp-layout-color3);
+}
+
+/* Active heading indicator */
+
+.jp-tocItem-heading::before {
+  content: ' ';
+  background: transparent;
+  width: var(--jp-private-toc-active-width);
+  height: 24px;
+  position: absolute;
+  left: 0;
+  border-radius: var(--jp-border-radius);
+}
+
+.jp-tocItem-heading.jp-tocItem-active::before {
+  background-color: var(--jp-brand-color1);
+}
+
+.jp-tocItem-heading:hover.jp-tocItem-active::before {
+  background: var(--jp-brand-color0);
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -12970,8 +5716,8 @@
 
 .jp-Collapser {
   flex: 0 0 var(--jp-cell-collapser-width);
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -12983,10 +5729,27 @@
   display: block;
   width: 100%;
   box-sizing: border-box;
+
   /* height: 100% doesn't work because the height of its parent is computed from content */
   position: absolute;
-  top: 0px;
-  bottom: 0px;
+  top: 0;
+  bottom: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Hiding collapsers in print mode.
+
+Note: input and output wrappers have "display: block" propery in print mode.
+*/
+
+@media print {
+  .jp-Collapser {
+    display: none;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13001,10 +5764,10 @@
 /* Hidden by zero height by default */
 .jp-CellHeader,
 .jp-CellFooter {
-  height: 0px;
+  height: 0;
   width: 100%;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13021,25 +5784,27 @@
 
 /* All input areas */
 .jp-InputArea {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
   overflow: hidden;
 }
 
 .jp-InputArea-editor {
-  flex: 1 1 auto;
+  display: table-cell;
   overflow: hidden;
-}
+  vertical-align: top;
 
-.jp-InputArea-editor {
   /* This is the non-active, default styling */
   border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
-  border-radius: 0px;
+  border-radius: 0;
   background: var(--jp-cell-editor-background);
 }
 
 .jp-InputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  display: table-cell;
+  vertical-align: top;
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-inprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -13048,12 +5813,13 @@
   line-height: var(--jp-code-line-height);
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
-  opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -13061,6 +5827,21 @@
   user-select: none;
 }
 
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-InputArea-editor {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+
+  .jp-InputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13071,21 +5852,33 @@
 |----------------------------------------------------------------------------*/
 
 .jp-Placeholder {
-  display: flex;
-  flex-direction: row;
-  flex: 1 1 auto;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
 }
 
 .jp-Placeholder-prompt {
+  display: table-cell;
   box-sizing: border-box;
 }
 
 .jp-Placeholder-content {
-  flex: 1 1 auto;
-  border: none;
-  background: transparent;
-  height: 20px;
+  display: table-cell;
+  padding: 4px 6px;
+  border: 1px solid transparent;
+  border-radius: 0;
+  background: none;
   box-sizing: border-box;
+  cursor: pointer;
+}
+
+.jp-Placeholder-contentContainer {
+  display: flex;
+}
+
+.jp-Placeholder-content:hover,
+.jp-InputPlaceholder > .jp-Placeholder-content:hover {
+  border-color: var(--jp-layout-color3);
 }
 
 .jp-Placeholder-content .jp-MoreHorizIcon {
@@ -13097,10 +5890,22 @@
 
 .jp-Placeholder-content .jp-MoreHorizIcon:hover {
   border: 1px solid var(--jp-border-color1);
-  box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.25);
+  box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.25);
   background-color: var(--jp-layout-color0);
 }
 
+.jp-PlaceholderText {
+  white-space: nowrap;
+  overflow-x: hidden;
+  color: var(--jp-inverse-layout-color3);
+  font-family: var(--jp-code-font-family);
+}
+
+.jp-InputPlaceholder > .jp-Placeholder-content {
+  border-color: var(--jp-cell-editor-border-color);
+  background: var(--jp-cell-editor-background);
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13120,7 +5925,7 @@
 
 .jp-Cell {
   padding: var(--jp-cell-padding);
-  margin: 0px;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13134,8 +5939,9 @@
 .jp-Cell-outputWrapper {
   display: flex;
   flex-direction: row;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
+
   /* Added to reveal the box-shadow on the input and output collapsers. */
   overflow: visible;
 }
@@ -13173,17 +5979,41 @@
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
   overflow-y: auto;
-  max-height: 200px;
-  box-shadow: inset 0 0 6px 2px rgba(0, 0, 0, 0.3);
+  max-height: 24em;
   margin-left: var(--jp-private-cell-scrolling-output-offset);
+  resize: vertical;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea[style*='height'] {
+  max-height: unset;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea::after {
+  content: ' ';
+  box-shadow: inset 0 0 6px 2px rgb(0 0 0 / 30%);
+  width: 100%;
+  height: 100%;
+  position: sticky;
+  bottom: 0;
+  top: 0;
+  margin-top: -50%;
+  float: left;
+  display: block;
+  pointer-events: none;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-child {
+  padding-top: 6px;
 }
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
-  flex: 0 0
-    calc(
-      var(--jp-cell-prompt-width) -
-        var(--jp-private-cell-scrolling-output-offset)
-    );
+  width: calc(
+    var(--jp-cell-prompt-width) - var(--jp-private-cell-scrolling-output-offset)
+  );
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay {
+  left: calc(-1 * var(--jp-private-cell-scrolling-output-offset));
 }
 
 /*-----------------------------------------------------------------------------
@@ -13195,7 +6025,8 @@
 |----------------------------------------------------------------------------*/
 
 .jp-MarkdownOutput {
-  flex: 1 1 auto;
+  display: table-cell;
+  width: 100%;
   margin-top: 0;
   margin-bottom: 0;
   padding-left: var(--jp-code-padding);
@@ -13205,6 +6036,115 @@
   overflow: auto;
 }
 
+/* collapseHeadingButton (show always if hiddenCellsButton is _not_ shown) */
+.jp-collapseHeadingButton {
+  display: flex;
+  min-height: var(--jp-cell-collapser-min-height);
+  font-size: var(--jp-code-font-size);
+  position: absolute;
+  background-color: transparent;
+  background-size: 25px;
+  background-repeat: no-repeat;
+  background-position-x: center;
+  background-position-y: top;
+  background-image: var(--jp-icon-caret-down);
+  right: 0;
+  top: 0;
+  bottom: 0;
+}
+
+.jp-collapseHeadingButton.jp-mod-collapsed {
+  background-image: var(--jp-icon-caret-right);
+}
+
+/*
+ set the container font size to match that of content
+ so that the nested collapse buttons have the right size
+*/
+.jp-MarkdownCell .jp-InputPrompt {
+  font-size: var(--jp-content-font-size1);
+}
+
+/*
+  Align collapseHeadingButton with cell top header
+  The font sizes are identical to the ones in packages/rendermime/style/base.css
+*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='1'] {
+  font-size: var(--jp-content-font-size5);
+  background-position-y: calc(0.3 * var(--jp-content-font-size5));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='2'] {
+  font-size: var(--jp-content-font-size4);
+  background-position-y: calc(0.3 * var(--jp-content-font-size4));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='3'] {
+  font-size: var(--jp-content-font-size3);
+  background-position-y: calc(0.3 * var(--jp-content-font-size3));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='4'] {
+  font-size: var(--jp-content-font-size2);
+  background-position-y: calc(0.3 * var(--jp-content-font-size2));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='5'] {
+  font-size: var(--jp-content-font-size1);
+  background-position-y: top;
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='6'] {
+  font-size: var(--jp-content-font-size0);
+  background-position-y: top;
+}
+
+/* collapseHeadingButton (show only on (hover,active) if hiddenCellsButton is shown) */
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-collapseHeadingButton {
+  display: none;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton
+  :is(.jp-MarkdownCell:hover, .jp-mod-active)
+  .jp-collapseHeadingButton {
+  display: flex;
+}
+
+/* showHiddenCellsButton (only show if jp-mod-showHiddenCellsButton is set, which
+is a consequence of the showHiddenCellsButton option in Notebook Settings)*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton {
+  margin-left: calc(var(--jp-cell-prompt-width) + 2 * var(--jp-code-padding));
+  margin-top: var(--jp-code-padding);
+  border: 1px solid var(--jp-border-color2);
+  background-color: var(--jp-border-color3) !important;
+  color: var(--jp-content-font-color0) !important;
+  display: flex;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton:hover {
+  background-color: var(--jp-border-color2) !important;
+}
+
+.jp-showHiddenCellsButton {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Using block instead of flex to allow the use of the break-inside CSS property for
+cell outputs.
+*/
+
+@media print {
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13219,6 +6159,10 @@
 | Variables
 |----------------------------------------------------------------------------*/
 
+:root {
+  --jp-notebook-toolbar-padding: 2px 5px 2px 2px;
+}
+
 /*-----------------------------------------------------------------------------
 
 /*-----------------------------------------------------------------------------
@@ -13226,7 +6170,10 @@
 |----------------------------------------------------------------------------*/
 
 .jp-NotebookPanel-toolbar {
-  padding: 2px;
+  padding: var(--jp-notebook-toolbar-padding);
+
+  /* disable paint containment from lumino 2.0 default strict CSS containment */
+  contain: style size !important;
 }
 
 .jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
@@ -13242,8 +6189,173 @@
   display: block;
 }
 
-.jp-Notebook-toolbarCellTypeDropdown span {
-  top: 5px !important;
+.jp-Notebook-toolbarCellTypeDropdown span {
+  top: 5px !important;
+}
+
+.jp-Toolbar-responsive-popup {
+  position: absolute;
+  height: fit-content;
+  display: flex;
+  flex-direction: row;
+  flex-wrap: wrap;
+  justify-content: flex-end;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: var(--jp-notebook-toolbar-padding);
+  z-index: 1;
+  right: 0;
+  top: 0;
+}
+
+.jp-Toolbar > .jp-Toolbar-responsive-opener {
+  margin-left: auto;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-Notebook-ExecutionIndicator {
+  position: relative;
+  display: inline-block;
+  height: 100%;
+  z-index: 9997;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: hidden;
+  height: auto;
+  width: max-content;
+  width: -moz-max-content;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color1);
+  text-align: justify;
+  border-radius: 6px;
+  padding: 0 5px;
+  position: fixed;
+  display: table;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.up {
+  transform: translateX(-50%) translateY(-100%) translateY(-32px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.down {
+  transform: translateX(calc(-100% + 16px)) translateY(5px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.hidden {
+  display: none;
+}
+
+.jp-Notebook-ExecutionIndicator:hover .jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: visible;
+}
+
+.jp-Notebook-ExecutionIndicator span {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  color: var(--jp-ui-font-color1);
+  line-height: 24px;
+  display: block;
+}
+
+.jp-Notebook-ExecutionIndicator-progress-bar {
+  display: flex;
+  justify-content: center;
+  height: 100%;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+/*
+ * Execution indicator
+ */
+.jp-tocItem-content::after {
+  content: '';
+
+  /* Must be identical to form a circle */
+  width: 12px;
+  height: 12px;
+  background: none;
+  border: none;
+  position: absolute;
+  right: 0;
+}
+
+.jp-tocItem-content[data-running='0']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background: none;
+}
+
+.jp-tocItem-content[data-running='1']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background-color: var(--jp-inverse-layout-color3);
+}
+
+.jp-tocItem-content[data-running='0'],
+.jp-tocItem-content[data-running='1'] {
+  margin-right: 12px;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-Notebook-footer {
+  height: 27px;
+  margin-left: calc(
+    var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+      var(--jp-cell-padding)
+  );
+  width: calc(
+    100% -
+      (
+        var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+          var(--jp-cell-padding) + var(--jp-cell-padding)
+      )
+  );
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  color: var(--jp-ui-font-color3);
+  margin-top: 6px;
+  background: none;
+  cursor: pointer;
+}
+
+.jp-Notebook-footer:focus {
+  border-color: var(--jp-cell-editor-active-border-color);
+}
+
+/* For devices that support hovering, hide footer until hover */
+@media (hover: hover) {
+  .jp-Notebook-footer {
+    opacity: 0;
+  }
+
+  .jp-Notebook-footer:focus,
+  .jp-Notebook-footer:hover {
+    opacity: 1;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13252,24 +6364,28 @@
 |----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Private CSS variables
+| Imports
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| CSS variables
 |----------------------------------------------------------------------------*/
 
 :root {
+  --jp-side-by-side-output-size: 1fr;
+  --jp-side-by-side-resized-cell: var(--jp-side-by-side-output-size);
   --jp-private-notebook-dragImage-width: 304px;
   --jp-private-notebook-dragImage-height: 36px;
   --jp-private-notebook-selected-color: var(--md-blue-400);
   --jp-private-notebook-active-color: var(--md-green-400);
 }
 
-/*-----------------------------------------------------------------------------
-| Imports
-|----------------------------------------------------------------------------*/
-
 /*-----------------------------------------------------------------------------
 | Notebook
 |----------------------------------------------------------------------------*/
 
+/* stylelint-disable selector-max-class */
+
 .jp-NotebookPanel {
   display: block;
   height: 100%;
@@ -13293,6 +6409,10 @@
   min-height: var(--jp-notebook-scroll-padding);
 }
 
+.jp-MainAreaWidget-ContainStrict .jp-Notebook * {
+  contain: strict;
+}
+
 .jp-Notebook .jp-Cell {
   overflow: visible;
 }
@@ -13334,6 +6454,20 @@
   background: var(--jp-brand-color1);
 }
 
+/* cell is dirty */
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt {
+  color: var(--jp-warn-color1);
+}
+
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt::before {
+  color: var(--jp-warn-color1);
+  content: '•';
+}
+
+.jp-Notebook .jp-Cell.jp-mod-active.jp-mod-dirty .jp-Collapser {
+  background: var(--jp-warn-color1);
+}
+
 /* collapser is hovered */
 .jp-Notebook .jp-Cell .jp-Collapser:hover {
   box-shadow: var(--jp-elevation-z2);
@@ -13383,7 +6517,7 @@
 }
 
 .jp-dragImage {
-  display: flex;
+  display: block;
   flex-direction: row;
   width: var(--jp-private-notebook-dragImage-width);
   height: var(--jp-private-notebook-dragImage-height);
@@ -13393,7 +6527,7 @@
 }
 
 .jp-dragImage-singlePrompt {
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 .jp-dragImage .jp-dragImage-content {
@@ -13407,7 +6541,7 @@
   background: var(--jp-cell-editor-background-color);
   color: var(--jp-content-font-color3);
   text-align: left;
-  margin: 4px 4px 4px 0px;
+  margin: 4px 4px 4px 0;
 }
 
 .jp-dragImage .jp-dragImage-prompt {
@@ -13432,7 +6566,7 @@
   left: 8px;
   background: var(--jp-layout-color2);
   border: var(--jp-border-width) solid var(--jp-input-border-color);
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 /*-----------------------------------------------------------------------------
@@ -13444,40 +6578,42 @@
   min-width: var(--jp-sidebar-min-width);
   color: var(--jp-ui-font-color1);
   background: var(--jp-layout-color1);
+
   /* This is needed so that all font sizing of children done in ems is
     * relative to this base size */
   font-size: var(--jp-ui-font-size1);
   overflow: auto;
 }
 
-.jp-NotebookTools-tool {
-  padding: 0px 12px 0 12px;
-}
-
 .jp-ActiveCellTool {
-  padding: 12px;
-  background-color: var(--jp-layout-color1);
-  border-top: none !important;
+  padding: 12px 0;
+  display: flex;
 }
 
-.jp-ActiveCellTool .jp-InputArea-prompt {
-  flex: 0 0 auto;
-  padding-left: 0px;
+.jp-ActiveCellTool-Content {
+  flex: 1 1 auto;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor {
-  flex: 1 1 auto;
+.jp-ActiveCellTool .jp-ActiveCellTool-CellContent {
   background: var(--jp-cell-editor-background);
-  border-color: var(--jp-cell-editor-border-color);
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  border-radius: 0;
+  min-height: 29px;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor .CodeMirror {
-  background: transparent;
+.jp-ActiveCellTool .jp-InputPrompt {
+  min-width: calc(var(--jp-cell-prompt-width) * 0.75);
+}
+
+.jp-ActiveCellTool-CellContent > pre {
+  padding: 5px 4px;
+  margin: 0;
+  white-space: normal;
 }
 
 .jp-MetadataEditorTool {
   flex-direction: column;
-  padding: 12px 0px 12px 0px;
+  padding: 12px 0;
 }
 
 .jp-RankedPanel > :not(:first-child) {
@@ -13491,13 +6627,19 @@
 }
 
 .jp-KeySelector label,
-.jp-MetadataEditorTool label {
+.jp-MetadataEditorTool label,
+.jp-NumberSetter label {
   line-height: 1.4;
 }
 
 .jp-NotebookTools .jp-select-wrapper {
   margin-top: 4px;
-  margin-bottom: 0px;
+  margin-bottom: 0;
+}
+
+.jp-NumberSetter input {
+  width: 100%;
+  margin-top: 4px;
 }
 
 .jp-NotebookTools .jp-Collapse {
@@ -13518,9 +6660,162 @@
   flex: 0 0 110px;
 }
 
-</style>
+/*-----------------------------------------------------------------------------
+| Side-by-side Mode (.jp-mod-sideBySide)
+|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-Notebook-cell {
+  margin-top: 3em;
+  margin-bottom: 3em;
+  margin-left: 5%;
+  margin-right: 5%;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell {
+  display: grid;
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-output-size)
+    );
+  grid-template-rows: auto minmax(0, 1fr) auto;
+  grid-template-areas:
+    'header header header'
+    'input handle output'
+    'footer footer footer';
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell.jp-mod-resizedCell {
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-resized-cell)
+    );
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellHeader {
+  grid-area: header;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-inputWrapper {
+  grid-area: input;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-outputWrapper {
+  /* overwrite the default margin (no vertical separation needed in side by side move */
+  margin-top: 0;
+  grid-area: output;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellFooter {
+  grid-area: footer;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle {
+  grid-area: handle;
+  user-select: none;
+  display: block;
+  height: 100%;
+  cursor: ew-resize;
+  padding: 0 var(--jp-cell-padding);
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle::after {
+  content: '';
+  display: block;
+  background: var(--jp-border-color2);
+  height: 100%;
+  width: 5px;
+}
+
+.jp-mod-sideBySide.jp-Notebook
+  .jp-CodeCell.jp-mod-resizedCell
+  .jp-CellResizeHandle::after {
+  background: var(--jp-border-color0);
+}
+
+.jp-CellResizeHandle {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Placeholder
+|----------------------------------------------------------------------------*/
+
+.jp-Cell-Placeholder {
+  padding-left: 55px;
+}
+
+.jp-Cell-Placeholder-wrapper {
+  background: #fff;
+  border: 1px solid;
+  border-color: #e5e6e9 #dfe0e4 #d0d1d5;
+  border-radius: 4px;
+  -webkit-border-radius: 4px;
+  margin: 10px 15px;
+}
+
+.jp-Cell-Placeholder-wrapper-inner {
+  padding: 15px;
+  position: relative;
+}
+
+.jp-Cell-Placeholder-wrapper-body {
+  background-repeat: repeat;
+  background-size: 50% auto;
+}
+
+.jp-Cell-Placeholder-wrapper-body div {
+  background: #f6f7f8;
+  background-image: -webkit-linear-gradient(
+    left,
+    #f6f7f8 0%,
+    #edeef1 20%,
+    #f6f7f8 40%,
+    #f6f7f8 100%
+  );
+  background-repeat: no-repeat;
+  background-size: 800px 104px;
+  height: 104px;
+  position: absolute;
+  right: 15px;
+  left: 15px;
+  top: 15px;
+}
+
+div.jp-Cell-Placeholder-h1 {
+  top: 20px;
+  height: 20px;
+  left: 15px;
+  width: 150px;
+}
+
+div.jp-Cell-Placeholder-h2 {
+  left: 15px;
+  top: 50px;
+  height: 10px;
+  width: 100px;
+}
+
+div.jp-Cell-Placeholder-content-1,
+div.jp-Cell-Placeholder-content-2,
+div.jp-Cell-Placeholder-content-3 {
+  left: 15px;
+  right: 15px;
+  height: 10px;
+}
 
-    <style type="text/css">
+div.jp-Cell-Placeholder-content-1 {
+  top: 100px;
+}
+
+div.jp-Cell-Placeholder-content-2 {
+  top: 120px;
+}
+
+div.jp-Cell-Placeholder-content-3 {
+  top: 140px;
+}
+
+</style>
+<style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13576,33 +6871,33 @@
     0.12
   );
   --jp-elevation-z0: none;
-  --jp-elevation-z1: 0px 2px 1px -1px var(--jp-shadow-umbra-color),
-    0px 1px 1px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 3px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z2: 0px 3px 1px -2px var(--jp-shadow-umbra-color),
-    0px 2px 2px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 5px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z4: 0px 2px 4px -1px var(--jp-shadow-umbra-color),
-    0px 4px 5px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 10px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z6: 0px 3px 5px -1px var(--jp-shadow-umbra-color),
-    0px 6px 10px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 18px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z8: 0px 5px 5px -3px var(--jp-shadow-umbra-color),
-    0px 8px 10px 1px var(--jp-shadow-penumbra-color),
-    0px 3px 14px 2px var(--jp-shadow-ambient-color);
-  --jp-elevation-z12: 0px 7px 8px -4px var(--jp-shadow-umbra-color),
-    0px 12px 17px 2px var(--jp-shadow-penumbra-color),
-    0px 5px 22px 4px var(--jp-shadow-ambient-color);
-  --jp-elevation-z16: 0px 8px 10px -5px var(--jp-shadow-umbra-color),
-    0px 16px 24px 2px var(--jp-shadow-penumbra-color),
-    0px 6px 30px 5px var(--jp-shadow-ambient-color);
-  --jp-elevation-z20: 0px 10px 13px -6px var(--jp-shadow-umbra-color),
-    0px 20px 31px 3px var(--jp-shadow-penumbra-color),
-    0px 8px 38px 7px var(--jp-shadow-ambient-color);
-  --jp-elevation-z24: 0px 11px 15px -7px var(--jp-shadow-umbra-color),
-    0px 24px 38px 3px var(--jp-shadow-penumbra-color),
-    0px 9px 46px 8px var(--jp-shadow-ambient-color);
+  --jp-elevation-z1: 0 2px 1px -1px var(--jp-shadow-umbra-color),
+    0 1px 1px 0 var(--jp-shadow-penumbra-color),
+    0 1px 3px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z2: 0 3px 1px -2px var(--jp-shadow-umbra-color),
+    0 2px 2px 0 var(--jp-shadow-penumbra-color),
+    0 1px 5px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z4: 0 2px 4px -1px var(--jp-shadow-umbra-color),
+    0 4px 5px 0 var(--jp-shadow-penumbra-color),
+    0 1px 10px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z6: 0 3px 5px -1px var(--jp-shadow-umbra-color),
+    0 6px 10px 0 var(--jp-shadow-penumbra-color),
+    0 1px 18px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z8: 0 5px 5px -3px var(--jp-shadow-umbra-color),
+    0 8px 10px 1px var(--jp-shadow-penumbra-color),
+    0 3px 14px 2px var(--jp-shadow-ambient-color);
+  --jp-elevation-z12: 0 7px 8px -4px var(--jp-shadow-umbra-color),
+    0 12px 17px 2px var(--jp-shadow-penumbra-color),
+    0 5px 22px 4px var(--jp-shadow-ambient-color);
+  --jp-elevation-z16: 0 8px 10px -5px var(--jp-shadow-umbra-color),
+    0 16px 24px 2px var(--jp-shadow-penumbra-color),
+    0 6px 30px 5px var(--jp-shadow-ambient-color);
+  --jp-elevation-z20: 0 10px 13px -6px var(--jp-shadow-umbra-color),
+    0 20px 31px 3px var(--jp-shadow-penumbra-color),
+    0 8px 38px 7px var(--jp-shadow-ambient-color);
+  --jp-elevation-z24: 0 11px 15px -7px var(--jp-shadow-umbra-color),
+    0 24px 38px 3px var(--jp-shadow-penumbra-color),
+    0 9px 46px 8px var(--jp-shadow-ambient-color);
 
   /* Borders
    *
@@ -13614,6 +6909,7 @@
   --jp-border-color1: var(--md-grey-400);
   --jp-border-color2: var(--md-grey-300);
   --jp-border-color3: var(--md-grey-200);
+  --jp-inverse-border-color: var(--md-grey-600);
   --jp-border-radius: 2px;
 
   /* UI Fonts
@@ -13631,9 +6927,9 @@
   --jp-ui-font-size1: 13px; /* Base font size */
   --jp-ui-font-size2: 1.2em;
   --jp-ui-font-size3: 1.44em;
-
-  --jp-ui-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', Helvetica,
-    Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji', 'Segoe UI Symbol';
+  --jp-ui-font-family: system-ui, -apple-system, blinkmacsystemfont, 'Segoe UI',
+    helvetica, arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
+    'Segoe UI Symbol';
 
   /*
    * Use these font colors against the corresponding main layout colors.
@@ -13676,7 +6972,6 @@
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
   --jp-content-presentation-font-size1: 17px;
-
   --jp-content-heading-line-height: 1;
   --jp-content-heading-margin-top: 1.2em;
   --jp-content-heading-margin-bottom: 0.8em;
@@ -13687,12 +6982,10 @@
   --jp-content-font-color1: rgba(0, 0, 0, 0.87);
   --jp-content-font-color2: rgba(0, 0, 0, 0.54);
   --jp-content-font-color3: rgba(0, 0, 0, 0.38);
-
-  --jp-content-link-color: var(--md-blue-700);
-
-  --jp-content-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI',
-    Helvetica, Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
-    'Segoe UI Symbol';
+  --jp-content-link-color: var(--md-blue-900);
+  --jp-content-font-family: system-ui, -apple-system, blinkmacsystemfont,
+    'Segoe UI', helvetica, arial, sans-serif, 'Apple Color Emoji',
+    'Segoe UI Emoji', 'Segoe UI Symbol';
 
   /*
    * Code Fonts
@@ -13703,7 +6996,7 @@
   --jp-code-font-size: 13px;
   --jp-code-line-height: 1.3077; /* 17px for 13px base */
   --jp-code-padding: 5px; /* 5px for 13px base, codemirror highlighting needs integer px value */
-  --jp-code-font-family-default: Menlo, Consolas, 'DejaVu Sans Mono', monospace;
+  --jp-code-font-family-default: menlo, consolas, 'DejaVu Sans Mono', monospace;
   --jp-code-font-family: var(--jp-code-font-family-default);
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
@@ -13732,7 +7025,7 @@
    * theme these would go from dark to light.
    */
 
-  --jp-inverse-layout-color0: #111111;
+  --jp-inverse-layout-color0: #111;
   --jp-inverse-layout-color1: var(--md-grey-900);
   --jp-inverse-layout-color2: var(--md-grey-800);
   --jp-inverse-layout-color3: var(--md-grey-700);
@@ -13740,62 +7033,57 @@
 
   /* Brand/accent */
 
-  --jp-brand-color0: var(--md-blue-700);
-  --jp-brand-color1: var(--md-blue-500);
+  --jp-brand-color0: var(--md-blue-900);
+  --jp-brand-color1: var(--md-blue-700);
   --jp-brand-color2: var(--md-blue-300);
   --jp-brand-color3: var(--md-blue-100);
   --jp-brand-color4: var(--md-blue-50);
-
-  --jp-accent-color0: var(--md-green-700);
-  --jp-accent-color1: var(--md-green-500);
+  --jp-accent-color0: var(--md-green-900);
+  --jp-accent-color1: var(--md-green-700);
   --jp-accent-color2: var(--md-green-300);
   --jp-accent-color3: var(--md-green-100);
 
   /* State colors (warn, error, success, info) */
 
-  --jp-warn-color0: var(--md-orange-700);
-  --jp-warn-color1: var(--md-orange-500);
+  --jp-warn-color0: var(--md-orange-900);
+  --jp-warn-color1: var(--md-orange-700);
   --jp-warn-color2: var(--md-orange-300);
   --jp-warn-color3: var(--md-orange-100);
-
-  --jp-error-color0: var(--md-red-700);
-  --jp-error-color1: var(--md-red-500);
+  --jp-error-color0: var(--md-red-900);
+  --jp-error-color1: var(--md-red-700);
   --jp-error-color2: var(--md-red-300);
   --jp-error-color3: var(--md-red-100);
-
-  --jp-success-color0: var(--md-green-700);
-  --jp-success-color1: var(--md-green-500);
+  --jp-success-color0: var(--md-green-900);
+  --jp-success-color1: var(--md-green-700);
   --jp-success-color2: var(--md-green-300);
   --jp-success-color3: var(--md-green-100);
-
-  --jp-info-color0: var(--md-cyan-700);
-  --jp-info-color1: var(--md-cyan-500);
+  --jp-info-color0: var(--md-cyan-900);
+  --jp-info-color1: var(--md-cyan-700);
   --jp-info-color2: var(--md-cyan-300);
   --jp-info-color3: var(--md-cyan-100);
 
   /* Cell specific styles */
 
   --jp-cell-padding: 5px;
-
   --jp-cell-collapser-width: 8px;
   --jp-cell-collapser-min-height: 20px;
   --jp-cell-collapser-not-active-hover-opacity: 0.6;
-
   --jp-cell-editor-background: var(--md-grey-100);
   --jp-cell-editor-border-color: var(--md-grey-300);
   --jp-cell-editor-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-cell-editor-active-background: var(--jp-layout-color0);
   --jp-cell-editor-active-border-color: var(--jp-brand-color1);
-
   --jp-cell-prompt-width: 64px;
   --jp-cell-prompt-font-family: var(--jp-code-font-family-default);
-  --jp-cell-prompt-letter-spacing: 0px;
+  --jp-cell-prompt-letter-spacing: 0;
   --jp-cell-prompt-opacity: 1;
   --jp-cell-prompt-not-active-opacity: 0.5;
   --jp-cell-prompt-not-active-font-color: var(--md-grey-700);
+
   /* A custom blend of MD grey and blue 600
    * See https://meyerweb.com/eric/tools/color-blend/#546E7A:1E88E5:5:hex */
   --jp-cell-inprompt-font-color: #307fc1;
+
   /* A custom blend of MD grey and orange 600
    * https://meyerweb.com/eric/tools/color-blend/#546E7A:F4511E:5:hex */
   --jp-cell-outprompt-font-color: #bf5b3d;
@@ -13836,17 +7124,21 @@
   --jp-toolbar-border-color: var(--jp-border-color1);
   --jp-toolbar-micro-height: 8px;
   --jp-toolbar-background: var(--jp-layout-color1);
-  --jp-toolbar-box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.24);
-  --jp-toolbar-header-margin: 4px 4px 0px 4px;
+  --jp-toolbar-box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.24);
+  --jp-toolbar-header-margin: 4px 4px 0 4px;
   --jp-toolbar-active-background: var(--md-grey-300);
 
+  /* Statusbar specific styles */
+
+  --jp-statusbar-height: 24px;
+
   /* Input field styles */
 
   --jp-input-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-input-active-background: var(--jp-layout-color1);
   --jp-input-hover-background: var(--jp-layout-color1);
   --jp-input-background: var(--md-grey-100);
-  --jp-input-border-color: var(--jp-border-color1);
+  --jp-input-border-color: var(--jp-inverse-border-color);
   --jp-input-active-border-color: var(--jp-brand-color1);
   --jp-input-active-box-shadow-color: rgba(19, 124, 189, 0.3);
 
@@ -13863,15 +7155,15 @@
   --jp-mirror-editor-number-color: #080;
   --jp-mirror-editor-def-color: #00f;
   --jp-mirror-editor-variable-color: var(--md-grey-900);
-  --jp-mirror-editor-variable-2-color: #05a;
+  --jp-mirror-editor-variable-2-color: rgb(0, 54, 109);
   --jp-mirror-editor-variable-3-color: #085;
   --jp-mirror-editor-punctuation-color: #05a;
   --jp-mirror-editor-property-color: #05a;
-  --jp-mirror-editor-operator-color: #aa22ff;
+  --jp-mirror-editor-operator-color: #a2f;
   --jp-mirror-editor-comment-color: #408080;
   --jp-mirror-editor-string-color: #ba2121;
   --jp-mirror-editor-string-2-color: #708;
-  --jp-mirror-editor-meta-color: #aa22ff;
+  --jp-mirror-editor-meta-color: #a2f;
   --jp-mirror-editor-qualifier-color: #555;
   --jp-mirror-editor-builtin-color: #008000;
   --jp-mirror-editor-bracket-color: #997;
@@ -13883,6 +7175,20 @@
   --jp-mirror-editor-error-color: #f00;
   --jp-mirror-editor-hr-color: #999;
 
+  /*
+    RTC user specific colors.
+    These colors are used for the cursor, username in the editor,
+    and the icon of the user.
+  */
+
+  --jp-collaborator-color1: #ffad8e;
+  --jp-collaborator-color2: #dac83d;
+  --jp-collaborator-color3: #72dd76;
+  --jp-collaborator-color4: #00e4d0;
+  --jp-collaborator-color5: #45d4ff;
+  --jp-collaborator-color6: #e2b1ff;
+  --jp-collaborator-color7: #ff9de6;
+
   /* Vega extension styles */
 
   --jp-vega-background: white;
@@ -13908,37 +7214,94 @@
   --jp-icon-contrast-color1: var(--md-green-600);
   --jp-icon-contrast-color2: var(--md-pink-600);
   --jp-icon-contrast-color3: var(--md-blue-600);
+
+  /* Button colors */
+  --jp-accept-color-normal: var(--md-blue-700);
+  --jp-accept-color-hover: var(--md-blue-800);
+  --jp-accept-color-active: var(--md-blue-900);
+  --jp-warn-color-normal: var(--md-red-700);
+  --jp-warn-color-hover: var(--md-red-800);
+  --jp-warn-color-active: var(--md-red-900);
+  --jp-reject-color-normal: var(--md-grey-600);
+  --jp-reject-color-hover: var(--md-grey-700);
+  --jp-reject-color-active: var(--md-grey-800);
+
+  /* File or activity icons and switch semantic variables */
+  --jp-jupyter-icon-color: #f37626;
+  --jp-notebook-icon-color: #f37626;
+  --jp-json-icon-color: var(--md-orange-700);
+  --jp-console-icon-background-color: var(--md-blue-700);
+  --jp-console-icon-color: white;
+  --jp-terminal-icon-background-color: var(--md-grey-800);
+  --jp-terminal-icon-color: var(--md-grey-200);
+  --jp-text-editor-icon-color: var(--md-grey-700);
+  --jp-inspector-icon-color: var(--md-grey-700);
+  --jp-switch-color: var(--md-grey-400);
+  --jp-switch-true-position-color: var(--md-orange-900);
 }
 </style>
-
 <style type="text/css">
-a.anchor-link {
-   display: none;
+/* Force rendering true colors when outputing to pdf */
+* {
+  -webkit-print-color-adjust: exact;
 }
-.highlight  {
-    margin: 0.4em;
+
+/* Misc */
+a.anchor-link {
+  display: none;
 }
 
 /* Input area styling */
 .jp-InputArea {
-    overflow: hidden;
+  overflow: hidden;
 }
 
 .jp-InputArea-editor {
-    overflow: hidden;
+  overflow: hidden;
+}
+
+.cm-editor.cm-s-jupyter .highlight pre {
+/* weird, but --jp-code-padding defined to be 5px but 4px horizontal padding is hardcoded for pre.cm-line */
+  padding: var(--jp-code-padding) 4px;
+  margin: 0;
+
+  font-family: inherit;
+  font-size: inherit;
+  line-height: inherit;
+  color: inherit;
+
+}
+
+.jp-OutputArea-output pre {
+  line-height: inherit;
+  font-family: inherit;
+}
+
+.jp-RenderedText pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+}
+
+/* Hiding the collapser by default */
+.jp-Collapser {
+  display: none;
+}
+
+@page {
+    margin: 0.5in; /* Margin for each printed piece of paper */
 }
 
 @media print {
-  body {
-    margin: 0;
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
   }
 }
 </style>
-
 <!-- Load mathjax -->
-    <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-MML-AM_CHTML-full,Safe"> </script>
-    <!-- MathJax configuration -->
-    <script type="text/x-mathjax-config">
+<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"> </script>
+<!-- MathJax configuration -->
+<script type="text/x-mathjax-config">
     init_mathjax = function() {
         if (window.MathJax) {
         // MathJax loaded
@@ -13956,142 +7319,600 @@
                     processEnvironments: true
                 },
                 displayAlign: 'center',
+                messageStyle: 'none',
                 CommonHTML: {
-                    linebreaks: { 
-                    automatic: true 
-                    }
-                },
-                "HTML-CSS": {
-                    linebreaks: { 
-                    automatic: true 
+                    linebreaks: {
+                    automatic: true
                     }
                 }
             });
-        
+
             MathJax.Hub.Queue(["Typeset", MathJax.Hub]);
         }
     }
     init_mathjax();
     </script>
-    <!-- End of mathjax configuration --></head>
+<!-- End of mathjax configuration --><script type="module">
+  document.addEventListener("DOMContentLoaded", async () => {
+    const diagrams = document.querySelectorAll(".jp-Mermaid > pre.mermaid");
+    // do not load mermaidjs if not needed
+    if (!diagrams.length) {
+      return;
+    }
+    const mermaid = (await import("https://cdnjs.cloudflare.com/ajax/libs/mermaid/11.10.0/mermaid.esm.min.mjs")).default;
+    const elkUrl = "https://cdnjs.cloudflare.com/ajax/libs/mermaid-layout-elk/0.1.9/mermaid-layout-elk.esm.min.mjs";
+    if(elkUrl) {
+      const elkLayouts = (await import(elkUrl)).default;
+      mermaid.registerLayoutLoaders(elkLayouts);
+    }
+    const parser = new DOMParser();
+
+    mermaid.initialize({
+      maxTextSize: 100000,
+      maxEdges: 100000,
+      startOnLoad: false,
+      fontFamily: window
+        .getComputedStyle(document.body)
+        .getPropertyValue("--jp-ui-font-family"),
+      theme: document.querySelector("body[data-jp-theme-light='true']")
+        ? "default"
+        : "dark",
+    });
+
+    let _nextMermaidId = 0;
+
+    function makeMermaidImage(svg) {
+      const img = document.createElement("img");
+      const doc = parser.parseFromString(svg, "image/svg+xml");
+      const svgEl = doc.querySelector("svg");
+      const { maxWidth } = svgEl?.style || {};
+      const firstTitle = doc.querySelector("title");
+      const firstDesc = doc.querySelector("desc");
+
+      img.setAttribute("src", `data:image/svg+xml,${encodeURIComponent(svg)}`);
+      if (maxWidth) {
+        img.width = parseInt(maxWidth);
+      }
+      if (firstTitle) {
+        img.setAttribute("alt", firstTitle.textContent);
+      }
+      if (firstDesc) {
+        const caption = document.createElement("figcaption");
+        caption.className = "sr-only";
+        caption.textContent = firstDesc.textContent;
+        return [img, caption];
+      }
+      return [img];
+    }
+
+    async function makeMermaidError(text) {
+      let errorMessage = "";
+      try {
+        await mermaid.parse(text);
+      } catch (err) {
+        errorMessage = `${err}`;
+      }
+
+      const result = document.createElement("details");
+      result.className = 'jp-RenderedMermaid-Details';
+      const summary = document.createElement("summary");
+      summary.className = 'jp-RenderedMermaid-Summary';
+      const pre = document.createElement("pre");
+      const code = document.createElement("code");
+      code.innerText = text;
+      pre.appendChild(code);
+      summary.appendChild(pre);
+      result.appendChild(summary);
+
+      const warning = document.createElement("pre");
+      warning.innerText = errorMessage;
+      result.appendChild(warning);
+      return [result];
+    }
+
+    async function renderOneMarmaid(src) {
+      const id = `jp-mermaid-${_nextMermaidId++}`;
+      const parent = src.parentNode;
+      let raw = src.textContent.trim();
+      const el = document.createElement("div");
+      el.style.visibility = "hidden";
+      document.body.appendChild(el);
+      let results = null;
+      let output = null;
+      try {
+        let { svg } = await mermaid.render(id, raw, el);
+        svg = cleanMermaidSvg(svg);
+        results = makeMermaidImage(svg);
+        output = document.createElement("figure");
+        results.map(output.appendChild, output);
+      } catch (err) {
+        parent.classList.add("jp-mod-warning");
+        results = await makeMermaidError(raw);
+        output = results[0];
+      } finally {
+        el.remove();
+      }
+      parent.classList.add("jp-RenderedMermaid");
+      parent.appendChild(output);
+    }
+
+
+    /**
+     * Post-process to ensure mermaid diagrams contain only valid SVG and XHTML.
+     */
+    function cleanMermaidSvg(svg) {
+      svg = svg.replace(RE_VOID_ELEMENT, replaceVoidElement);
+      return `${SVG_XML_HEADER}${svg}`;
+    }
+
+
+    /**
+     * A regular expression for all void elements, which may include attributes and
+     * a slash.
+     *
+     * @see https://developer.mozilla.org/en-US/docs/Glossary/Void_element
+     *
+     * Of these, only `<br>` is generated by Mermaid in place of `\n`,
+     * but _any_ "malformed" tag will break the SVG rendering entirely.
+     */
+    const RE_VOID_ELEMENT =
+      /<\s*(area|base|br|col|embed|hr|img|input|link|meta|param|source|track|wbr)\s*([^>]*?)\s*>/gi;
+
+    /**
+     * Ensure a void element is closed with a slash, preserving any attributes.
+     */
+    function replaceVoidElement(match, tag, rest) {
+      rest = rest.trim();
+      if (!rest.endsWith('/')) {
+        rest = `${rest} /`;
+      }
+      return `<${tag} ${rest}>`;
+    }
+
+
+  /**
+   * Named HTML entities with their decimal equivalent codes.
+   *
+   * @see https://www.w3.org/TR/WD-html40-970708/sgml/entities.html
+   * */
+  const HTML_ENTITIES = `<!ENTITY Aacute "&#193;">
+<!ENTITY aacute "&#225;">
+<!ENTITY Acirc "&#194;">
+<!ENTITY acirc "&#226;">
+<!ENTITY acute "&#180;">
+<!ENTITY AElig "&#198;">
+<!ENTITY aelig "&#230;">
+<!ENTITY Agrave "&#192;">
+<!ENTITY agrave "&#224;">
+<!ENTITY alefsym "&#8501;">
+<!ENTITY Alpha "&#913;">
+<!ENTITY alpha "&#945;">
+<!ENTITY amp "&#38;">
+<!ENTITY and "&#8869;">
+<!ENTITY ang "&#8736;">
+<!ENTITY Aring "&#197;">
+<!ENTITY aring "&#229;">
+<!ENTITY asymp "&#8776;">
+<!ENTITY Atilde "&#195;">
+<!ENTITY atilde "&#227;">
+<!ENTITY Auml "&#196;">
+<!ENTITY auml "&#228;">
+<!ENTITY bdquo "&#8222;">
+<!ENTITY Beta "&#914;">
+<!ENTITY beta "&#946;">
+<!ENTITY brvbar "&#166;">
+<!ENTITY bull "&#8226;">
+<!ENTITY cap "&#8745;">
+<!ENTITY Ccedil "&#199;">
+<!ENTITY ccedil "&#231;">
+<!ENTITY cedil "&#184;">
+<!ENTITY cent "&#162;">
+<!ENTITY Chi "&#935;">
+<!ENTITY chi "&#967;">
+<!ENTITY circ "&#710;">
+<!ENTITY clubs "&#9827;">
+<!ENTITY cong "&#8773;">
+<!ENTITY copy "&#169;">
+<!ENTITY crarr "&#8629;">
+<!ENTITY cup "&#8746;">
+<!ENTITY curren "&#164;">
+<!ENTITY dagger "&#8224;">
+<!ENTITY Dagger "&#8225;">
+<!ENTITY darr "&#8595;">
+<!ENTITY dArr "&#8659;">
+<!ENTITY deg "&#176;">
+<!ENTITY Delta "&#916;">
+<!ENTITY delta "&#948;">
+<!ENTITY diams "&#9830;">
+<!ENTITY divide "&#247;">
+<!ENTITY Eacute "&#201;">
+<!ENTITY eacute "&#233;">
+<!ENTITY Ecirc "&#202;">
+<!ENTITY ecirc "&#234;">
+<!ENTITY Egrave "&#200;">
+<!ENTITY egrave "&#232;">
+<!ENTITY empty "&#8709;">
+<!ENTITY emsp "&#8195;">
+<!ENTITY ensp "&#8194;">
+<!ENTITY epsilon "&#949;">
+<!ENTITY Epsilon "&#917;">
+<!ENTITY equiv "&#8801;">
+<!ENTITY Eta "&#919;">
+<!ENTITY eta "&#951;">
+<!ENTITY ETH "&#208;">
+<!ENTITY eth "&#240;">
+<!ENTITY Euml "&#203;">
+<!ENTITY euml "&#235;">
+<!ENTITY exist "&#8707;">
+<!ENTITY fnof "&#402;">
+<!ENTITY forall "&#8704;">
+<!ENTITY frac12 "&#189;">
+<!ENTITY frac14 "&#188;">
+<!ENTITY frac34 "&#190;">
+<!ENTITY frasl "&#8260;">
+<!ENTITY Gamma "&#915;">
+<!ENTITY gamma "&#947;">
+<!ENTITY ge "&#8805;">
+<!ENTITY gt "&#62;">
+<!ENTITY harr "&#8596;">
+<!ENTITY hArr "&#8660;">
+<!ENTITY hearts "&#9829;">
+<!ENTITY hellip "&#8230;">
+<!ENTITY Iacute "&#205;">
+<!ENTITY iacute "&#237;">
+<!ENTITY Icirc "&#206;">
+<!ENTITY icirc "&#238;">
+<!ENTITY iexcl "&#161;">
+<!ENTITY Igrave "&#204;">
+<!ENTITY igrave "&#236;">
+<!ENTITY image "&#8465;">
+<!ENTITY infin "&#8734;">
+<!ENTITY int "&#8747;">
+<!ENTITY Iota "&#921;">
+<!ENTITY iota "&#953;">
+<!ENTITY iquest "&#191;">
+<!ENTITY isin "&#8712;">
+<!ENTITY Iuml "&#207;">
+<!ENTITY iuml "&#239;">
+<!ENTITY Kappa "&#922;">
+<!ENTITY kappa "&#954;">
+<!ENTITY Lambda "&#923;">
+<!ENTITY lambda "&#955;">
+<!ENTITY lang "&#9001;">
+<!ENTITY laquo "&#171;">
+<!ENTITY larr "&#8592;">
+<!ENTITY lArr "&#8656;">
+<!ENTITY lceil "&#8968;">
+<!ENTITY ldquo "&#8220;">
+<!ENTITY le "&#8804;">
+<!ENTITY lfloor "&#8970;">
+<!ENTITY lowast "&#8727;">
+<!ENTITY loz "&#9674;">
+<!ENTITY lrm "&#8206;">
+<!ENTITY lsaquo "&#8249;">
+<!ENTITY lsquo "&#8216;">
+<!ENTITY lt "&#60;">
+<!ENTITY macr "&#175;">
+<!ENTITY mdash "&#8212;">
+<!ENTITY micro "&#181;">
+<!ENTITY middot "&#183;">
+<!ENTITY minus "&#8722;">
+<!ENTITY Mu "&#924;">
+<!ENTITY mu "&#956;">
+<!ENTITY nabla "&#8711;">
+<!ENTITY nbsp "&#160;">
+<!ENTITY ndash "&#8211;">
+<!ENTITY ne "&#8800;">
+<!ENTITY ni "&#8715;">
+<!ENTITY not "&#172;">
+<!ENTITY notin "&#8713;">
+<!ENTITY nsub "&#8836;">
+<!ENTITY Ntilde "&#209;">
+<!ENTITY ntilde "&#241;">
+<!ENTITY Nu "&#925;">
+<!ENTITY nu "&#957;">
+<!ENTITY Oacute "&#211;">
+<!ENTITY oacute "&#243;">
+<!ENTITY Ocirc "&#212;">
+<!ENTITY ocirc "&#244;">
+<!ENTITY OElig "&#338;">
+<!ENTITY oelig "&#339;">
+<!ENTITY Ograve "&#210;">
+<!ENTITY ograve "&#242;">
+<!ENTITY oline "&#8254;">
+<!ENTITY Omega "&#937;">
+<!ENTITY omega "&#969;">
+<!ENTITY Omicron "&#927;">
+<!ENTITY omicron "&#959;">
+<!ENTITY oplus "&#8853;">
+<!ENTITY or "&#8870;">
+<!ENTITY ordf "&#170;">
+<!ENTITY ordm "&#186;">
+<!ENTITY Oslash "&#216;">
+<!ENTITY oslash "&#248;">
+<!ENTITY Otilde "&#213;">
+<!ENTITY otilde "&#245;">
+<!ENTITY otimes "&#8855;">
+<!ENTITY Ouml "&#214;">
+<!ENTITY ouml "&#246;">
+<!ENTITY para "&#182;">
+<!ENTITY part "&#8706;">
+<!ENTITY permil "&#8240;">
+<!ENTITY perp "&#8869;">
+<!ENTITY Phi "&#934;">
+<!ENTITY phi "&#966;">
+<!ENTITY Pi "&#928;">
+<!ENTITY pi "&#960;">
+<!ENTITY piv "&#982;">
+<!ENTITY plusmn "&#177;">
+<!ENTITY pound "&#163;">
+<!ENTITY prime "&#8242;">
+<!ENTITY Prime "&#8243;">
+<!ENTITY prod "&#8719;">
+<!ENTITY prop "&#8733;">
+<!ENTITY Psi "&#936;">
+<!ENTITY psi "&#968;">
+<!ENTITY quot "&#34;">
+<!ENTITY radic "&#8730;">
+<!ENTITY rang "&#9002;">
+<!ENTITY raquo "&#187;">
+<!ENTITY rarr "&#8594;">
+<!ENTITY rArr "&#8658;">
+<!ENTITY rceil "&#8969;">
+<!ENTITY rdquo "&#8221;">
+<!ENTITY real "&#8476;">
+<!ENTITY reg "&#174;">
+<!ENTITY rfloor "&#8971;">
+<!ENTITY Rho "&#929;">
+<!ENTITY rho "&#961;">
+<!ENTITY rlm "&#8207;">
+<!ENTITY rsaquo "&#8250;">
+<!ENTITY rsquo "&#8217;">
+<!ENTITY sbquo "&#8218;">
+<!ENTITY Scaron "&#352;">
+<!ENTITY scaron "&#353;">
+<!ENTITY sdot "&#8901;">
+<!ENTITY sect "&#167;">
+<!ENTITY shy "&#173;">
+<!ENTITY Sigma "&#931;">
+<!ENTITY sigma "&#963;">
+<!ENTITY sigmaf "&#962;">
+<!ENTITY sim "&#8764;">
+<!ENTITY spades "&#9824;">
+<!ENTITY sub "&#8834;">
+<!ENTITY sube "&#8838;">
+<!ENTITY sum "&#8721;">
+<!ENTITY sup "&#8835;">
+<!ENTITY sup1 "&#185;">
+<!ENTITY sup2 "&#178;">
+<!ENTITY sup3 "&#179;">
+<!ENTITY supe "&#8839;">
+<!ENTITY szlig "&#223;">
+<!ENTITY Tau "&#932;">
+<!ENTITY tau "&#964;">
+<!ENTITY there4 "&#8756;">
+<!ENTITY Theta "&#920;">
+<!ENTITY theta "&#952;">
+<!ENTITY thetasym "&#977;">
+<!ENTITY thinsp "&#8201;">
+<!ENTITY THORN "&#222;">
+<!ENTITY thorn "&#254;">
+<!ENTITY tilde "&#732;">
+<!ENTITY times "&#215;">
+<!ENTITY trade "&#8482;">
+<!ENTITY Uacute "&#218;">
+<!ENTITY uacute "&#250;">
+<!ENTITY uarr "&#8593;">
+<!ENTITY uArr "&#8657;">
+<!ENTITY Ucirc "&#219;">
+<!ENTITY ucirc "&#251;">
+<!ENTITY Ugrave "&#217;">
+<!ENTITY ugrave "&#249;">
+<!ENTITY uml "&#168;">
+<!ENTITY upsih "&#978;">
+<!ENTITY Upsilon "&#933;">
+<!ENTITY upsilon "&#965;">
+<!ENTITY Uuml "&#220;">
+<!ENTITY uuml "&#252;">
+<!ENTITY weierp "&#8472;">
+<!ENTITY Xi "&#926;">
+<!ENTITY xi "&#958;">
+<!ENTITY Yacute "&#221;">
+<!ENTITY yacute "&#253;">
+<!ENTITY yen "&#165;">
+<!ENTITY Yuml "&#376;">
+<!ENTITY yuml "&#255;">
+<!ENTITY Zeta "&#918;">
+<!ENTITY zeta "&#950;">
+<!ENTITY zwj "&#8205;">
+<!ENTITY zwnj "&#8204;">`.replace(/\n/g, ' ');
+
+  /**
+   * A reasonably strict xml declaration.
+   */
+  const XML_DECL = '<?xml version="1.0" standalone="no"?>';
+
+  /**
+   * The beginning of the XML doctype declaration.
+   */
+  const DOCTYPE_START = `<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd" [`;
+
+  /**
+   * The end of the XML docype declaration.
+   */
+  const DOCTYPE_END = ']>';
+
+  /**
+   * A full header for an SVG XML document.
+   */
+  const SVG_XML_HEADER = `${XML_DECL}
+    ${DOCTYPE_START}${HTML_ENTITIES}${DOCTYPE_END}`;
+
+    void Promise.all([...diagrams].map(renderOneMarmaid));
+  });
+</script>
+<style>
+  .jp-Mermaid:not(.jp-RenderedMermaid) {
+    display: none;
+  }
+
+  .jp-RenderedMermaid {
+    overflow: auto;
+    display: flex;
+  }
+
+  .jp-RenderedMermaid.jp-mod-warning {
+    width: auto;
+    padding: 0.5em;
+    margin-top: 0.5em;
+    border: var(--jp-border-width) solid var(--jp-warn-color2);
+    border-radius: var(--jp-border-radius);
+    color: var(--jp-ui-font-color1);
+    font-size: var(--jp-ui-font-size1);
+    white-space: pre-wrap;
+    word-wrap: break-word;
+  }
+
+  .jp-RenderedMermaid figure {
+    margin: 0;
+    overflow: auto;
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid img {
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid-Details > pre {
+    margin-top: 1em;
+  }
+
+  .jp-RenderedMermaid-Summary {
+    color: var(--jp-warn-color2);
+  }
+
+  .jp-RenderedMermaid:not(.jp-mod-warning) pre {
+    display: none;
+  }
+
+  .jp-RenderedMermaid-Summary > pre {
+    display: inline-block;
+    white-space: normal;
+  }
+</style>
+<!-- End of mermaid configuration --></head>
 <body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
-<div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+<main><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[1]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [1]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">torch</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">torch</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[2]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [2]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">molgrid</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">molgrid</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[3]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [3]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">from</span> <span class="nn">openbabel</span> <span class="kn">import</span> <span class="n">pybel</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">openbabel</span><span class="w"> </span><span class="kn">import</span> <span class="n">pybel</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[4]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [4]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># create simple molecule</span>
-<span class="n">m</span> <span class="o">=</span> <span class="n">pybel</span><span class="o">.</span><span class="n">readstring</span><span class="p">(</span><span class="s1">&#39;smi&#39;</span><span class="p">,</span><span class="s1">&#39;C&#39;</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># create simple molecule</span>
+<span class="n">m</span> <span class="o">=</span> <span class="n">pybel</span><span class="o">.</span><span class="n">readstring</span><span class="p">(</span><span class="s1">'smi'</span><span class="p">,</span><span class="s1">'C'</span><span class="p">)</span>
 <span class="n">m</span><span class="o">.</span><span class="n">addh</span><span class="p">()</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[5]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [5]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># atom typing based on atomic number and valence, with a constant radius of 1.5</span>
-<span class="k">def</span> <span class="nf">mytyper</span><span class="p">(</span><span class="n">atom</span><span class="p">):</span>
-    <span class="k">if</span> <span class="nb">hasattr</span><span class="p">(</span><span class="n">atom</span><span class="p">,</span> <span class="s1">&#39;GetValence&#39;</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># atom typing based on atomic number and valence, with a constant radius of 1.5</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">mytyper</span><span class="p">(</span><span class="n">atom</span><span class="p">):</span>
+    <span class="k">if</span> <span class="nb">hasattr</span><span class="p">(</span><span class="n">atom</span><span class="p">,</span> <span class="s1">'GetValence'</span><span class="p">):</span>
         <span class="k">return</span> <span class="p">([</span><span class="n">atom</span><span class="o">.</span><span class="n">GetAtomicNum</span><span class="p">(),</span><span class="n">atom</span><span class="o">.</span><span class="n">GetValence</span><span class="p">()],</span> <span class="mf">1.5</span><span class="p">)</span>
     <span class="k">else</span><span class="p">:</span>
         <span class="k">return</span> <span class="p">([</span><span class="n">atom</span><span class="o">.</span><span class="n">GetAtomicNum</span><span class="p">(),</span><span class="n">atom</span><span class="o">.</span><span class="n">GetExplicitDegree</span><span class="p">()],</span> <span class="mf">1.5</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[6]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [6]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># create the typer; the explicit names may be omitted, in which case numerical names</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># create the typer; the explicit names may be omitted, in which case numerical names</span>
 <span class="c1"># will be automatically created</span>
-<span class="n">t</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">PythonCallbackVectorTyper</span><span class="p">(</span><span class="n">mytyper</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="p">[</span><span class="s2">&quot;anum&quot;</span><span class="p">,</span><span class="s2">&quot;valence&quot;</span><span class="p">])</span>
+<span class="n">t</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">PythonCallbackVectorTyper</span><span class="p">(</span><span class="n">mytyper</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="p">[</span><span class="s2">"anum"</span><span class="p">,</span><span class="s2">"valence"</span><span class="p">])</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[7]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [7]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># get types for our simple molecule using our typer</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># get types for our simple molecule using our typer</span>
 <span class="n">types</span> <span class="o">=</span> <span class="p">[</span><span class="n">t</span><span class="o">.</span><span class="n">get_atom_type_vector</span><span class="p">(</span><span class="n">a</span><span class="o">.</span><span class="n">OBAtom</span><span class="p">)</span> <span class="k">for</span> <span class="n">a</span> <span class="ow">in</span> <span class="n">m</span><span class="o">.</span><span class="n">atoms</span><span class="p">]</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
 </div>
+</div>
+</main>
 
 </div>
 </body>
-
-
-
-
-
-
-
 </html>
diff --git a/docs/_tutorials/grid_single_molecule.html b/docs/_tutorials/grid_single_molecule.html
index 879c8a30..68a8db5b 100644
--- a/docs/_tutorials/grid_single_molecule.html
+++ b/docs/_tutorials/grid_single_molecule.html
@@ -6,15 +6,11 @@
 ---
 
 <!DOCTYPE html>
-<html>
-<head><meta charset="utf-8" />
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-
-<title>grid_single_molecule</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
-
-
-
 
+<html lang="en">
+<head><meta charset="utf-8"/>
+<meta content="width=device-width, initial-scale=1.0" name="viewport"/>
+<title>Notebook</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
 <style type="text/css">
     pre { line-height: 125%; }
 td.linenos .normal { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; }
@@ -43,6 +39,7 @@
 .highlight .m { color: var(--jp-mirror-editor-number-color) } /* Literal.Number */
 .highlight .s { color: var(--jp-mirror-editor-string-color) } /* Literal.String */
 .highlight .ow { color: var(--jp-mirror-editor-operator-color); font-weight: bold } /* Operator.Word */
+.highlight .pm { color: var(--jp-mirror-editor-punctuation-color) } /* Punctuation.Marker */
 .highlight .w { color: var(--jp-mirror-editor-variable-color) } /* Text.Whitespace */
 .highlight .mb { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Bin */
 .highlight .mf { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Float */
@@ -64,9 +61,6 @@
 .highlight .ss { color: var(--jp-mirror-editor-string-color) } /* Literal.String.Symbol */
 .highlight .il { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Integer.Long */
   </style>
-
-
-
 <style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
@@ -97,71 +91,6 @@
   scrollbar-width: thin;
 }
 
-/*
- * Webkit scrollbar styling
- */
-
-/* use standard opaque scrollbars for most nodes */
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-corner {
-  background: var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-thumb {
-  background: rgb(var(--jp-scrollbar-thumb-color));
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-right: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-bottom: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-/* for code nodes, use a transparent style of scrollbar */
-
-[data-jp-theme-scrollbars='true'] .CodeMirror-hscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] .CodeMirror-vscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-corner,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-corner {
-  background-color: transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-thumb,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-thumb {
-  background: rgba(var(--jp-scrollbar-thumb-color), 0.5);
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid transparent;
-  border-right: var(--jp-scrollbar-endpad) solid transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid transparent;
-  border-bottom: var(--jp-scrollbar-endpad) solid transparent;
-}
-
 /* tiny scrollbar */
 
 .jp-scrollbar-tiny::-webkit-scrollbar,
@@ -176,17 +105,17 @@
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:horizontal {
-  border-left: 0px solid transparent;
-  border-right: 0px solid transparent;
+  border-left: 0 solid transparent;
+  border-right: 0 solid transparent;
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:vertical {
-  border-top: 0px solid transparent;
-  border-bottom: 0px solid transparent;
+  border-top: 0 solid transparent;
+  border-bottom: 0 solid transparent;
 }
 
 /*
- * Phosphor
+ * Lumino
  */
 
 .lm-ScrollBar[data-orientation='horizontal'] {
@@ -274,6 +203,11 @@
   background-size: 17px;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -283,21 +217,33 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Widget, /* </DEPRECATED> */
 .lm-Widget {
   box-sizing: border-box;
   position: relative;
   overflow: hidden;
-  cursor: default;
 }
 
-
-/* <DEPRECATED> */ .p-Widget.p-mod-hidden, /* </DEPRECATED> */
 .lm-Widget.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.lm-AccordionPanel[data-orientation='horizontal'] > .lm-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -307,8 +253,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-CommandPalette, /* </DEPRECATED> */
 .lm-CommandPalette {
   display: flex;
   flex-direction: column;
@@ -318,14 +262,10 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-search, /* </DEPRECATED> */
 .lm-CommandPalette-search {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-content, /* </DEPRECATED> */
 .lm-CommandPalette-content {
   flex: 1 1 auto;
   margin: 0;
@@ -335,42 +275,30 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-header, /* </DEPRECATED> */
 .lm-CommandPalette-header {
   overflow: hidden;
   white-space: nowrap;
   text-overflow: ellipsis;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-item, /* </DEPRECATED> */
 .lm-CommandPalette-item {
   display: flex;
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemIcon, /* </DEPRECATED> */
 .lm-CommandPalette-itemIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemContent, /* </DEPRECATED> */
 .lm-CommandPalette-itemContent {
   flex: 1 1 auto;
   overflow: hidden;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemShortcut, /* </DEPRECATED> */
 .lm-CommandPalette-itemShortcut {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemLabel, /* </DEPRECATED> */
 .lm-CommandPalette-itemLabel {
   overflow: hidden;
   white-space: nowrap;
@@ -378,32 +306,37 @@
 }
 
 .lm-close-icon {
-	border:1px solid transparent;
+  border: 1px solid transparent;
   background-color: transparent;
   position: absolute;
-	z-index:1;
-	right:3%;
-	top: 0;
-	bottom: 0;
-	margin: auto;
-	padding: 7px 0;
-	display: none;
-	vertical-align: middle;
+  z-index: 1;
+  right: 3%;
+  top: 0;
+  bottom: 0;
+  margin: auto;
+  padding: 7px 0;
+  display: none;
+  vertical-align: middle;
   outline: 0;
   cursor: pointer;
 }
 .lm-close-icon:after {
-	content: "X";
-	display: block;
-	width: 15px;
-	height: 15px;
-	text-align: center;
-	color:#000;
-	font-weight: normal;
-	font-size: 12px;
-	cursor: pointer;
+  content: 'X';
+  display: block;
+  width: 15px;
+  height: 15px;
+  text-align: center;
+  color: #000;
+  font-weight: normal;
+  font-size: 12px;
+  cursor: pointer;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -413,38 +346,26 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-DockPanel, /* </DEPRECATED> */
 .lm-DockPanel {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-widget, /* </DEPRECATED> */
 .lm-DockPanel-widget {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-tabBar, /* </DEPRECATED> */
 .lm-DockPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle, /* </DEPRECATED> */
 .lm-DockPanel-handle {
   z-index: 2;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle:after, /* </DEPRECATED> */
 .lm-DockPanel-handle:after {
   position: absolute;
   top: 0;
@@ -454,56 +375,41 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal'] {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical'] {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal']:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical']:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay, /* </DEPRECATED> */
 .lm-DockPanel-overlay {
   z-index: 3;
   box-sizing: border-box;
   pointer-events: none;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-overlay.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -513,8 +419,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Menu, /* </DEPRECATED> */
 .lm-Menu {
   z-index: 10000;
   position: absolute;
@@ -528,8 +432,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-content, /* </DEPRECATED> */
 .lm-Menu-content {
   margin: 0;
   padding: 0;
@@ -537,47 +439,36 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-item, /* </DEPRECATED> */
 .lm-Menu-item {
   display: table-row;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-item.p-mod-hidden,
-.p-Menu-item.p-mod-collapsed,
-/* </DEPRECATED> */
 .lm-Menu-item.lm-mod-hidden,
 .lm-Menu-item.lm-mod-collapsed {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-itemIcon,
-.p-Menu-itemSubmenuIcon,
-/* </DEPRECATED> */
 .lm-Menu-itemIcon,
 .lm-Menu-itemSubmenuIcon {
   display: table-cell;
   text-align: center;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemLabel, /* </DEPRECATED> */
 .lm-Menu-itemLabel {
   display: table-cell;
   text-align: left;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemShortcut, /* </DEPRECATED> */
 .lm-Menu-itemShortcut {
   display: table-cell;
   text-align: right;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -587,8 +478,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-MenuBar, /* </DEPRECATED> */
 .lm-MenuBar {
   outline: none;
   -webkit-user-select: none;
@@ -597,8 +486,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-MenuBar-content, /* </DEPRECATED> */
 .lm-MenuBar-content {
   margin: 0;
   padding: 0;
@@ -607,22 +494,20 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p--MenuBar-item, /* </DEPRECATED> */
 .lm-MenuBar-item {
   box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */
-.p-MenuBar-itemIcon,
-.p-MenuBar-itemLabel,
-/* </DEPRECATED> */
 .lm-MenuBar-itemIcon,
 .lm-MenuBar-itemLabel {
   display: inline-block;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -632,8 +517,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-ScrollBar, /* </DEPRECATED> */
 .lm-ScrollBar {
   display: flex;
   -webkit-user-select: none;
@@ -642,31 +525,19 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='horizontal'] {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='vertical'] {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-button, /* </DEPRECATED> */
 .lm-ScrollBar-button {
   box-sizing: border-box;
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-track, /* </DEPRECATED> */
 .lm-ScrollBar-track {
   box-sizing: border-box;
   position: relative;
@@ -674,13 +545,16 @@
   flex: 1 1 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-thumb, /* </DEPRECATED> */
 .lm-ScrollBar-thumb {
   box-sizing: border-box;
   position: absolute;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -690,26 +564,18 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-SplitPanel-child, /* </DEPRECATED> */
 .lm-SplitPanel-child {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle, /* </DEPRECATED> */
 .lm-SplitPanel-handle {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-SplitPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle:after, /* </DEPRECATED> */
 .lm-SplitPanel-handle:after {
   position: absolute;
   top: 0;
@@ -719,42 +585,31 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -764,8 +619,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabBar, /* </DEPRECATED> */
 .lm-TabBar {
   display: flex;
   -webkit-user-select: none;
@@ -774,20 +627,16 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='horizontal'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] {
   flex-direction: row;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='vertical'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] {
   flex-direction: column;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-content, /* </DEPRECATED> */
 .lm-TabBar-content {
   margin: 0;
   padding: 0;
@@ -796,94 +645,77 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='horizontal'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] > .lm-TabBar-content {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='vertical'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] > .lm-TabBar-content {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar-tab {
   display: flex;
   flex-direction: row;
   box-sizing: border-box;
   overflow: hidden;
+  touch-action: none; /* Disable native Drag/Drop */
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar-tabIcon,
-.p-TabBar-tabCloseIcon,
-/* </DEPRECATED> */
 .lm-TabBar-tabIcon,
 .lm-TabBar-tabCloseIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tabLabel, /* </DEPRECATED> */
 .lm-TabBar-tabLabel {
   flex: 1 1 auto;
   overflow: hidden;
   white-space: nowrap;
 }
 
-
 .lm-TabBar-tabInput {
   user-select: all;
   width: 100%;
-  box-sizing : border-box;
+  box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab.p-mod-hidden, /* </DEPRECATED> */
 .lm-TabBar-tab.lm-mod-hidden {
   display: none !important;
 }
 
+.lm-TabBar-addButton.lm-mod-hidden {
+  display: none !important;
+}
 
-/* <DEPRECATED> */ .p-TabBar.p-mod-dragging .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab {
   position: relative;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='horizontal'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='horizontal'] .lm-TabBar-tab {
   left: 0;
   transition: left 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='vertical'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='vertical'] .lm-TabBar-tab {
   top: 0;
   transition: top 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging .p-TabBar-tab.p-mod-dragging,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab.lm-mod-dragging {
   transition: none;
 }
 
+.lm-TabBar-tabLabel .lm-TabBar-tabInput {
+  user-select: all;
+  width: 100%;
+  box-sizing: border-box;
+  background: inherit;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -893,18 +725,19 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabPanel-tabBar, /* </DEPRECATED> */
 .lm-TabPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-TabPanel-stackedPanel, /* </DEPRECATED> */
 .lm-TabPanel-stackedPanel {
   z-index: 0;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -914,11536 +747,4207 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-@charset "UTF-8";
-html{
-  -webkit-box-sizing:border-box;
-          box-sizing:border-box; }
-
-*,
-*::before,
-*::after{
-  -webkit-box-sizing:inherit;
-          box-sizing:inherit; }
-
-body{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none;
-  color:#182026;
-  font-family:-apple-system, "BlinkMacSystemFont", "Segoe UI", "Roboto", "Oxygen", "Ubuntu", "Cantarell", "Open Sans", "Helvetica Neue", "Icons16", sans-serif; }
-
-p{
-  margin-bottom:10px;
-  margin-top:0; }
-
-small{
-  font-size:12px; }
-
-strong{
-  font-weight:600; }
-
-::-moz-selection{
-  background:rgba(125, 188, 255, 0.6); }
-
-::selection{
-  background:rgba(125, 188, 255, 0.6); }
-.bp3-heading{
-  color:#182026;
-  font-weight:600;
-  margin:0 0 10px;
-  padding:0; }
-  .bp3-dark .bp3-heading{
-    color:#f5f8fa; }
-
-h1.bp3-heading, .bp3-running-text h1{
-  font-size:36px;
-  line-height:40px; }
-
-h2.bp3-heading, .bp3-running-text h2{
-  font-size:28px;
-  line-height:32px; }
-
-h3.bp3-heading, .bp3-running-text h3{
-  font-size:22px;
-  line-height:25px; }
-
-h4.bp3-heading, .bp3-running-text h4{
-  font-size:18px;
-  line-height:21px; }
-
-h5.bp3-heading, .bp3-running-text h5{
-  font-size:16px;
-  line-height:19px; }
-
-h6.bp3-heading, .bp3-running-text h6{
-  font-size:14px;
-  line-height:16px; }
-.bp3-ui-text{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none; }
-
-.bp3-monospace-text{
-  font-family:monospace;
-  text-transform:none; }
-
-.bp3-text-muted{
-  color:#5c7080; }
-  .bp3-dark .bp3-text-muted{
-    color:#a7b6c2; }
-
-.bp3-text-disabled{
-  color:rgba(92, 112, 128, 0.6); }
-  .bp3-dark .bp3-text-disabled{
-    color:rgba(167, 182, 194, 0.6); }
-
-.bp3-text-overflow-ellipsis{
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal; }
-.bp3-running-text{
-  font-size:14px;
-  line-height:1.5; }
-  .bp3-running-text h1{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h1{
-      color:#f5f8fa; }
-  .bp3-running-text h2{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h2{
-      color:#f5f8fa; }
-  .bp3-running-text h3{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h3{
-      color:#f5f8fa; }
-  .bp3-running-text h4{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h4{
-      color:#f5f8fa; }
-  .bp3-running-text h5{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h5{
-      color:#f5f8fa; }
-  .bp3-running-text h6{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h6{
-      color:#f5f8fa; }
-  .bp3-running-text hr{
-    border:none;
-    border-bottom:1px solid rgba(16, 22, 26, 0.15);
-    margin:20px 0; }
-    .bp3-dark .bp3-running-text hr{
-      border-color:rgba(255, 255, 255, 0.15); }
-  .bp3-running-text p{
-    margin:0 0 10px;
-    padding:0; }
-
-.bp3-text-large{
-  font-size:16px; }
-
-.bp3-text-small{
-  font-size:12px; }
-a{
-  color:#106ba3;
-  text-decoration:none; }
-  a:hover{
-    color:#106ba3;
-    cursor:pointer;
-    text-decoration:underline; }
-  a .bp3-icon, a .bp3-icon-standard, a .bp3-icon-large{
-    color:inherit; }
-  a code,
-  .bp3-dark a code{
-    color:inherit; }
-  .bp3-dark a,
-  .bp3-dark a:hover{
-    color:#48aff0; }
-    .bp3-dark a .bp3-icon, .bp3-dark a .bp3-icon-standard, .bp3-dark a .bp3-icon-large,
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-    .bp3-button.bp3-large::before,
-    .bp3-button.bp3-large > *,
-    .bp3-large .bp3-button::before,
-    .bp3-large .bp3-button > *{
-      margin-right:10px; }
-    .bp3-button.bp3-large:empty::before,
-    .bp3-button.bp3-large > :last-child,
-    .bp3-large .bp3-button:empty::before,
-    .bp3-large .bp3-button > :last-child{
-      margin-right:0; }
-  .bp3-button.bp3-small,
-  .bp3-small .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    padding:0 7px; }
-  .bp3-button.bp3-loading{
-    position:relative; }
-    .bp3-button.bp3-loading[class*="bp3-icon-"]::before{
-      visibility:hidden; }
-    .bp3-button.bp3-loading .bp3-button-spinner{
-      margin:0;
-      position:absolute; }
-    .bp3-button.bp3-loading > :not(.bp3-button-spinner){
-      visibility:hidden; }
-  .bp3-button[class*="bp3-icon-"]::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    color:#5c7080; }
-  .bp3-button .bp3-icon, .bp3-button .bp3-icon-standard, .bp3-button .bp3-icon-large{
-    color:#5c7080; }
-    .bp3-button .bp3-icon.bp3-align-right, .bp3-button .bp3-icon-standard.bp3-align-right, .bp3-button .bp3-icon-large.bp3-align-right{
-      margin-left:7px; }
-  .bp3-button .bp3-icon:first-child:last-child,
-  .bp3-button .bp3-spinner + .bp3-icon:last-child{
-    margin:0 -7px; }
-  .bp3-dark .bp3-button:not([class*="bp3-intent-"]){
-    background-color:#394b59;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover, .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled{
-      background-color:rgba(57, 75, 89, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-      .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled.bp3-active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled.bp3-active{
-        background:rgba(57, 75, 89, 0.7); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-button-spinner .bp3-spinner-head{
-      background:rgba(16, 22, 26, 0.5);
-      stroke:#8a9ba8; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"])[class*="bp3-icon-"]::before{
-      color:#a7b6c2; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-standard, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-large{
-      color:#a7b6c2; }
-  .bp3-dark .bp3-button[class*="bp3-intent-"]{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:hover{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:active, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-active{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:disabled, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-disabled{
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.3); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-      stroke:#8a9ba8; }
-  .bp3-button:disabled::before,
-  .bp3-button:disabled .bp3-icon, .bp3-button:disabled .bp3-icon-standard, .bp3-button:disabled .bp3-icon-large, .bp3-button.bp3-disabled::before,
-  .bp3-button.bp3-disabled .bp3-icon, .bp3-button.bp3-disabled .bp3-icon-standard, .bp3-button.bp3-disabled .bp3-icon-large, .bp3-button[class*="bp3-intent-"]::before,
-  .bp3-button[class*="bp3-intent-"] .bp3-icon, .bp3-button[class*="bp3-intent-"] .bp3-icon-standard, .bp3-button[class*="bp3-intent-"] .bp3-icon-large{
-    color:inherit !important; }
-  .bp3-button.bp3-minimal{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button.bp3-minimal:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-minimal:active, .bp3-button.bp3-minimal.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-minimal:disabled, .bp3-button.bp3-minimal:disabled:hover, .bp3-button.bp3-minimal.bp3-disabled, .bp3-button.bp3-minimal.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-minimal{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-minimal:hover, .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-minimal:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-minimal:disabled, .bp3-dark .bp3-button.bp3-minimal:disabled:hover, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover, .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover, .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover, .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-            background:rgba(217, 130, 43, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-danger{
-      color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover, .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-          background:rgba(219, 55, 55, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-danger .bp3-button-spinner .bp3-spinner-head{
-        stroke:#c23030; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger{
-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-          background:rgba(219, 55, 55, 0.2);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-          background:rgba(219, 55, 55, 0.3);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-  .bp3-button.bp3-outlined{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    border:1px solid rgba(24, 32, 38, 0.2);
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box; }
-    .bp3-button.bp3-outlined:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-outlined:active, .bp3-button.bp3-outlined.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-outlined:disabled, .bp3-button.bp3-outlined:disabled:hover, .bp3-button.bp3-outlined.bp3-disabled, .bp3-button.bp3-outlined.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-outlined{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-outlined:hover, .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-outlined:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-outlined:disabled, .bp3-dark .bp3-button.bp3-outlined:disabled:hover, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-outlined.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:hover, .bp3-button.bp3-outlined.bp3-intent-primary:active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:disabled, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-outlined.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary{
-        color:#48aff0; }
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-a.bp3-button{
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-  text-decoration:none;
-  -webkit-transition:none;
-  transition:none; }
-  a.bp3-button, a.bp3-button:hover, a.bp3-button:active{
-    color:#182026; }
-  a.bp3-button.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6); }
-
-.bp3-button-text{
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-      -ms-flex:0 1 auto;
-          flex:0 1 auto; }
-
-.bp3-button.bp3-align-left .bp3-button-text, .bp3-button.bp3-align-right .bp3-button-text,
-.bp3-button-group.bp3-align-left .bp3-button-text,
-.bp3-button-group.bp3-align-right .bp3-button-text{
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-.bp3-button-group{
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-  display:inline-flex; }
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-            flex:0 0 auto;
-    position:relative;
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-    .bp3-button-group .bp3-button:hover{
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-    border-top-right-radius:0;
-    margin-right:-1px; }
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-      background:rgba(167, 182, 194, 0.3);
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-              box-shadow:none;
-      color:#182026;
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-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
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-      color:rgba(92, 112, 128, 0.6);
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-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
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-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
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-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
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-        color:#106ba3; }
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-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
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-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled.bp3-active{
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-          color:#48aff0; }
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-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
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-      color:#0d8050; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:hover, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-active{
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-        -webkit-box-shadow:none;
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-        color:#0d8050; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:disabled, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-disabled.bp3-active{
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-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
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-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:disabled, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success.bp3-disabled{
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-  .bp3-dark .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control:not(.bp3-align-right){
-    padding-left:26px; }
-    .bp3-control:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-26px; }
-  .bp3-control.bp3-align-right{
-    padding-right:26px; }
-    .bp3-control.bp3-align-right .bp3-control-indicator{
-      margin-right:-26px; }
-  .bp3-control.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-control.bp3-inline{
-    display:inline-block;
-    margin-right:20px; }
-  .bp3-control input{
-    left:0;
-    opacity:0;
-    position:absolute;
-    top:0;
-    z-index:-1; }
-  .bp3-control .bp3-control-indicator{
-    background-clip:padding-box;
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    border:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    cursor:pointer;
-    display:inline-block;
-    font-size:16px;
-    height:1em;
-    margin-right:10px;
-    margin-top:-3px;
-    position:relative;
-    -webkit-user-select:none;
-       -moz-user-select:none;
-        -ms-user-select:none;
-            user-select:none;
-    vertical-align:middle;
-    width:1em; }
-    .bp3-control .bp3-control-indicator::before{
-      content:"";
-      display:block;
-      height:1em;
-      width:1em; }
-  .bp3-control:hover .bp3-control-indicator{
-    background-color:#ebf1f5; }
-  .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-    background:#d8e1e8;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    cursor:not-allowed; }
-  .bp3-control input:focus ~ .bp3-control-indicator{
-    outline:rgba(19, 124, 189, 0.6) auto 2px;
-    outline-offset:2px;
-    -moz-outline-radius:6px; }
-  .bp3-control.bp3-align-right .bp3-control-indicator{
-    float:right;
-    margin-left:10px;
-    margin-top:1px; }
-  .bp3-control.bp3-large{
-    font-size:16px; }
-    .bp3-control.bp3-large:not(.bp3-align-right){
-      padding-left:30px; }
-      .bp3-control.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-        margin-left:-30px; }
-    .bp3-control.bp3-large.bp3-align-right{
-      padding-right:30px; }
-      .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-        margin-right:-30px; }
-    .bp3-control.bp3-large .bp3-control-indicator{
-      font-size:20px; }
-    .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-top:0; }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control.bp3-checkbox .bp3-control-indicator{
-    border-radius:3px; }
-  .bp3-control.bp3-checkbox input:checked ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M12 5c-.28 0-.53.11-.71.29L7 9.59l-2.29-2.3a1.003 1.003 0 00-1.42 1.42l3 3c.18.18.43.29.71.29s.53-.11.71-.29l5-5A1.003 1.003 0 0012 5z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M11 7H5c-.55 0-1 .45-1 1s.45 1 1 1h6c.55 0 1-.45 1-1s-.45-1-1-1z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-radio .bp3-control-indicator{
-    border-radius:50%; }
-  .bp3-control.bp3-radio input:checked ~ .bp3-control-indicator::before{
-    background-image:radial-gradient(#ffffff, #ffffff 28%, transparent 32%); }
-  .bp3-control.bp3-radio input:checked:disabled ~ .bp3-control-indicator::before{
-    opacity:0.5; }
-  .bp3-control.bp3-radio input:focus ~ .bp3-control-indicator{
-    -moz-outline-radius:16px; }
-  .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(167, 182, 194, 0.5); }
-  .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(115, 134, 148, 0.5); }
-  .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(92, 112, 128, 0.5); }
-  .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5); }
-    .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5); }
-    .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch:not(.bp3-align-right){
-    padding-left:38px; }
-    .bp3-control.bp3-switch:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-38px; }
-  .bp3-control.bp3-switch.bp3-align-right{
-    padding-right:38px; }
-    .bp3-control.bp3-switch.bp3-align-right .bp3-control-indicator{
-      margin-right:-38px; }
-  .bp3-control.bp3-switch .bp3-control-indicator{
-    border:none;
-    border-radius:1.75em;
-    -webkit-box-shadow:none !important;
-            box-shadow:none !important;
-    min-width:1.75em;
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    width:auto; }
-    .bp3-control.bp3-switch .bp3-control-indicator::before{
-      background:#ffffff;
-      border-radius:50%;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-      height:calc(1em - 4px);
-      left:0;
-      margin:2px;
-      position:absolute;
-      -webkit-transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      width:calc(1em - 4px); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    left:calc(100% - 1em); }
-  .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right){
-    padding-left:45px; }
-    .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-45px; }
-  .bp3-control.bp3-switch.bp3-large.bp3-align-right{
-    padding-right:45px; }
-    .bp3-control.bp3-switch.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-right:-45px; }
-  .bp3-dark .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.5); }
-  .bp3-dark .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.7); }
-  .bp3-dark .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.9); }
-  .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(57, 75, 89, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-dark .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch .bp3-control-indicator::before{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-control.bp3-switch .bp3-switch-inner-text{
-    font-size:0.7em;
-    text-align:center; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:first-child{
-    line-height:0;
-    margin-left:0.5em;
-    margin-right:1.2em;
-    visibility:hidden; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:last-child{
-    line-height:1em;
-    margin-left:1.2em;
-    margin-right:0.5em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:first-child{
-    line-height:1em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:last-child{
-    line-height:0;
-    visibility:hidden; }
-  .bp3-dark .bp3-control{
-    color:#f5f8fa; }
-    .bp3-dark .bp3-control.bp3-disabled{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-control .bp3-control-indicator{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-control:hover .bp3-control-indicator{
-      background-color:#30404d; }
-    .bp3-dark .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-      background:#202b33;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-control input:disabled ~ .bp3-control-indicator{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      cursor:not-allowed; }
-    .bp3-dark .bp3-control.bp3-checkbox input:disabled:checked ~ .bp3-control-indicator, .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-file-input{
-  cursor:pointer;
-  display:inline-block;
-  height:30px;
-  position:relative; }
-  .bp3-file-input input{
-    margin:0;
-    min-width:200px;
-    opacity:0; }
-    .bp3-file-input input:disabled + .bp3-file-upload-input,
-    .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-      background:rgba(206, 217, 224, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      resize:none; }
-      .bp3-file-input input:disabled + .bp3-file-upload-input::after,
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-        background-color:rgba(206, 217, 224, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(92, 112, 128, 0.6);
-        cursor:not-allowed;
-        outline:none; }
-        .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active:hover,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active:hover{
-          background:rgba(206, 217, 224, 0.7); }
-      .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input, .bp3-dark
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-        background:rgba(57, 75, 89, 0.5);
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after, .bp3-dark
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-          background-color:rgba(57, 75, 89, 0.5);
-          background-image:none;
-          -webkit-box-shadow:none;
-                  box-shadow:none;
-          color:rgba(167, 182, 194, 0.6); }
-          .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-dark
-          .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active{
-            background:rgba(57, 75, 89, 0.7); }
-  .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#182026; }
-  .bp3-dark .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#f5f8fa; }
-  .bp3-file-input.bp3-fill{
-    width:100%; }
-  .bp3-file-input.bp3-large,
-  .bp3-large .bp3-file-input{
-    height:40px; }
-  .bp3-file-input .bp3-file-upload-input-custom-text::after{
-    content:attr(bp3-button-text); }
-
-.bp3-file-upload-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle;
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal;
-  color:rgba(92, 112, 128, 0.6);
-  left:0;
-  padding-right:80px;
-  position:absolute;
-  right:0;
-  top:0;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-file-upload-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:focus, .bp3-file-upload-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-file-upload-input[type="search"], .bp3-file-upload-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-file-upload-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-file-upload-input:disabled, .bp3-file-upload-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-file-upload-input::after{
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    color:#182026;
-    min-height:24px;
-    min-width:24px;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    border-radius:3px;
-    content:"Browse";
-    line-height:24px;
-    margin:3px;
-    position:absolute;
-    right:0;
-    text-align:center;
-    top:0;
-    width:70px; }
-    .bp3-file-upload-input::after:hover{
-      background-clip:padding-box;
-      background-color:#ebf1f5;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-    .bp3-file-upload-input::after:active, .bp3-file-upload-input::after.bp3-active{
-      background-color:#d8e1e8;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-file-upload-input::after:disabled, .bp3-file-upload-input::after.bp3-disabled{
-      background-color:rgba(206, 217, 224, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      outline:none; }
-      .bp3-file-upload-input::after:disabled.bp3-active, .bp3-file-upload-input::after:disabled.bp3-active:hover, .bp3-file-upload-input::after.bp3-disabled.bp3-active, .bp3-file-upload-input::after.bp3-disabled.bp3-active:hover{
-        background:rgba(206, 217, 224, 0.7); }
-  .bp3-file-upload-input:hover::after{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-file-upload-input:active::after{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-large .bp3-file-upload-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px;
-    padding-right:95px; }
-    .bp3-large .bp3-file-upload-input[type="search"], .bp3-large .bp3-file-upload-input.bp3-round{
-      padding:0 15px; }
-    .bp3-large .bp3-file-upload-input::after{
-      min-height:30px;
-      min-width:30px;
-      line-height:30px;
-      margin:5px;
-      width:85px; }
-  .bp3-dark .bp3-file-upload-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa;
-    color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:disabled, .bp3-dark .bp3-file-upload-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::after{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-      color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover, .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover{
-        background-color:#30404d;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        background-color:#202b33;
-        background-image:none;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-      .bp3-dark .bp3-file-upload-input::after:disabled, .bp3-dark .bp3-file-upload-input::after.bp3-disabled{
-        background-color:rgba(57, 75, 89, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-upload-input::after:disabled.bp3-active, .bp3-dark .bp3-file-upload-input::after.bp3-disabled.bp3-active{
-          background:rgba(57, 75, 89, 0.7); }
-      .bp3-dark .bp3-file-upload-input::after .bp3-button-spinner .bp3-spinner-head{
-        background:rgba(16, 22, 26, 0.5);
-        stroke:#8a9ba8; }
-    .bp3-dark .bp3-file-upload-input:hover::after{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:active::after{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-.bp3-file-upload-input::after{
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-.bp3-form-group{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:vertical;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:column;
-          flex-direction:column;
-  margin:0 0 15px; }
-  .bp3-form-group label.bp3-label{
-    margin-bottom:5px; }
-  .bp3-form-group .bp3-control{
-    margin-top:7px; }
-  .bp3-form-group .bp3-form-helper-text{
-    color:#5c7080;
-    font-size:12px;
-    margin-top:5px; }
-  .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#106ba3; }
-  .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#0d8050; }
-  .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#bf7326; }
-  .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#c23030; }
-  .bp3-form-group.bp3-inline{
-    -webkit-box-align:start;
-        -ms-flex-align:start;
-            align-items:flex-start;
-    -webkit-box-orient:horizontal;
-    -webkit-box-direction:normal;
-        -ms-flex-direction:row;
-            flex-direction:row; }
-    .bp3-form-group.bp3-inline.bp3-large label.bp3-label{
-      line-height:40px;
-      margin:0 10px 0 0; }
-    .bp3-form-group.bp3-inline label.bp3-label{
-      line-height:30px;
-      margin:0 10px 0 0; }
-  .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-dark .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#48aff0; }
-  .bp3-dark .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#3dcc91; }
-  .bp3-dark .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#ffb366; }
-  .bp3-dark .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#ff7373; }
-  .bp3-dark .bp3-form-group .bp3-form-helper-text{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(167, 182, 194, 0.6) !important; }
-.bp3-input-group{
-  display:block;
-  position:relative; }
-  .bp3-input-group .bp3-input{
-    position:relative;
-    width:100%; }
-    .bp3-input-group .bp3-input:not(:first-child){
-      padding-left:30px; }
-    .bp3-input-group .bp3-input:not(:last-child){
-      padding-right:30px; }
-  .bp3-input-group .bp3-input-action,
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-button,
-  .bp3-input-group > .bp3-icon{
-    position:absolute;
-    top:0; }
-    .bp3-input-group .bp3-input-action:first-child,
-    .bp3-input-group > .bp3-input-left-container:first-child,
-    .bp3-input-group > .bp3-button:first-child,
-    .bp3-input-group > .bp3-icon:first-child{
-      left:0; }
-    .bp3-input-group .bp3-input-action:last-child,
-    .bp3-input-group > .bp3-input-left-container:last-child,
-    .bp3-input-group > .bp3-button:last-child,
-    .bp3-input-group > .bp3-icon:last-child{
-      right:0; }
-  .bp3-input-group .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    margin:3px;
-    padding:0 7px; }
-    .bp3-input-group .bp3-button:empty{
-      padding:0; }
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-icon{
-    z-index:1; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon{
-    color:#5c7080; }
-    .bp3-input-group > .bp3-input-left-container > .bp3-icon:empty,
-    .bp3-input-group > .bp3-icon:empty{
-      font-family:"Icons16", sans-serif;
-      font-size:16px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon,
-  .bp3-input-group .bp3-input-action > .bp3-spinner{
-    margin:7px; }
-  .bp3-input-group .bp3-tag{
-    margin:5px; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus),
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-    color:#5c7080; }
-    .bp3-dark .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus), .bp3-dark
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-      color:#a7b6c2; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large{
-      color:#5c7080; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled,
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled{
-    color:rgba(92, 112, 128, 0.6) !important; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-large{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-input-group.bp3-disabled{
-    cursor:not-allowed; }
-    .bp3-input-group.bp3-disabled .bp3-icon{
-      color:rgba(92, 112, 128, 0.6); }
-  .bp3-input-group.bp3-large .bp3-button{
-    min-height:30px;
-    min-width:30px;
-    margin:5px; }
-  .bp3-input-group.bp3-large > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-large > .bp3-icon,
-  .bp3-input-group.bp3-large .bp3-input-action > .bp3-spinner{
-    margin:12px; }
-  .bp3-input-group.bp3-large .bp3-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input-group.bp3-large .bp3-input[type="search"], .bp3-input-group.bp3-large .bp3-input.bp3-round{
-      padding:0 15px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:first-child){
-      padding-left:40px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:last-child){
-      padding-right:40px; }
-  .bp3-input-group.bp3-small .bp3-button{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small .bp3-tag{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-small > .bp3-icon,
-  .bp3-input-group.bp3-small .bp3-input-action > .bp3-spinner{
-    margin:4px; }
-  .bp3-input-group.bp3-small .bp3-input{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input-group.bp3-small .bp3-input[type="search"], .bp3-input-group.bp3-small .bp3-input.bp3-round{
-      padding:0 12px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:first-child){
-      padding-left:24px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:last-child){
-      padding-right:24px; }
-  .bp3-input-group.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-input-group.bp3-round .bp3-button,
-  .bp3-input-group.bp3-round .bp3-input,
-  .bp3-input-group.bp3-round .bp3-tag{
-    border-radius:30px; }
-  .bp3-dark .bp3-input-group .bp3-icon{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-input-group.bp3-disabled .bp3-icon{
-    color:rgba(167, 182, 194, 0.6); }
-  .bp3-input-group.bp3-intent-primary .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input-group.bp3-intent-primary .bp3-input:disabled, .bp3-input-group.bp3-intent-primary .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-primary > .bp3-icon{
-    color:#106ba3; }
-    .bp3-dark .bp3-input-group.bp3-intent-primary > .bp3-icon{
-      color:#48aff0; }
-  .bp3-input-group.bp3-intent-success .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input-group.bp3-intent-success .bp3-input:disabled, .bp3-input-group.bp3-intent-success .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-success > .bp3-icon{
-    color:#0d8050; }
-    .bp3-dark .bp3-input-group.bp3-intent-success > .bp3-icon{
-      color:#3dcc91; }
-  .bp3-input-group.bp3-intent-warning .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input-group.bp3-intent-warning .bp3-input:disabled, .bp3-input-group.bp3-intent-warning .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-warning > .bp3-icon{
-    color:#bf7326; }
-    .bp3-dark .bp3-input-group.bp3-intent-warning > .bp3-icon{
-      color:#ffb366; }
-  .bp3-input-group.bp3-intent-danger .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input-group.bp3-intent-danger .bp3-input:disabled, .bp3-input-group.bp3-intent-danger .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-danger > .bp3-icon{
-    color:#c23030; }
-    .bp3-dark .bp3-input-group.bp3-intent-danger > .bp3-icon{
-      color:#ff7373; }
-.bp3-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle; }
-  .bp3-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:focus, .bp3-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-input[type="search"], .bp3-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-input:disabled, .bp3-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-input.bp3-large{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input.bp3-large[type="search"], .bp3-input.bp3-large.bp3-round{
-      padding:0 15px; }
-  .bp3-input.bp3-small{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input.bp3-small[type="search"], .bp3-input.bp3-small.bp3-round{
-      padding:0 12px; }
-  .bp3-input.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-dark .bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input:disabled, .bp3-dark .bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-input.bp3-intent-primary{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input.bp3-intent-primary:disabled, .bp3-input.bp3-intent-primary.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-primary{
-      -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary:focus{
-        -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-                box-shadow:inset 0 0 0 1px #137cbd; }
-      .bp3-dark .bp3-input.bp3-intent-primary:disabled, .bp3-dark .bp3-input.bp3-intent-primary.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-success{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input.bp3-intent-success:disabled, .bp3-input.bp3-intent-success.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-success{
-      -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success:focus{
-        -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-                box-shadow:inset 0 0 0 1px #0f9960; }
-      .bp3-dark .bp3-input.bp3-intent-success:disabled, .bp3-dark .bp3-input.bp3-intent-success.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-warning{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input.bp3-intent-warning:disabled, .bp3-input.bp3-intent-warning.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-warning{
-      -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning:focus{
-        -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-                box-shadow:inset 0 0 0 1px #d9822b; }
-      .bp3-dark .bp3-input.bp3-intent-warning:disabled, .bp3-dark .bp3-input.bp3-intent-warning.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-danger{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input.bp3-intent-danger:disabled, .bp3-input.bp3-intent-danger.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-danger{
-      -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger:focus{
-        -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #db3737;
-                box-shadow:inset 0 0 0 1px #db3737; }
-      .bp3-dark .bp3-input.bp3-intent-danger:disabled, .bp3-dark .bp3-input.bp3-intent-danger.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input::-ms-clear{
-    display:none; }
-textarea.bp3-input{
-  max-width:100%;
-  padding:10px; }
-  textarea.bp3-input, textarea.bp3-input.bp3-large, textarea.bp3-input.bp3-small{
-    height:auto;
-    line-height:inherit; }
-  textarea.bp3-input.bp3-small{
-    padding:8px; }
-  .bp3-dark textarea.bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark textarea.bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input:disabled, .bp3-dark textarea.bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-label.bp3-label{
-  display:block;
-  margin-bottom:15px;
-  margin-top:0; }
-  label.bp3-label .bp3-html-select,
-  label.bp3-label .bp3-input,
-  label.bp3-label .bp3-select,
-  label.bp3-label .bp3-slider,
-  label.bp3-label .bp3-popover-wrapper{
-    display:block;
-    margin-top:5px;
-    text-transform:none; }
-  label.bp3-label .bp3-button-group{
-    margin-top:5px; }
-  label.bp3-label .bp3-select select,
-  label.bp3-label .bp3-html-select select{
-    font-weight:400;
-    vertical-align:top;
-    width:100%; }
-  label.bp3-label.bp3-disabled,
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-    color:rgba(92, 112, 128, 0.6); }
-  label.bp3-label.bp3-inline{
-    line-height:30px; }
-    label.bp3-label.bp3-inline .bp3-html-select,
-    label.bp3-label.bp3-inline .bp3-input,
-    label.bp3-label.bp3-inline .bp3-input-group,
-    label.bp3-label.bp3-inline .bp3-select,
-    label.bp3-label.bp3-inline .bp3-popover-wrapper{
-      display:inline-block;
-      margin:0 0 0 5px;
-      vertical-align:top; }
-    label.bp3-label.bp3-inline .bp3-button-group{
-      margin:0 0 0 5px; }
-    label.bp3-label.bp3-inline .bp3-input-group .bp3-input{
-      margin-left:0; }
-    label.bp3-label.bp3-inline.bp3-large{
-      line-height:40px; }
-  label.bp3-label:not(.bp3-inline) .bp3-popover-target{
-    display:block; }
-  .bp3-dark label.bp3-label{
-    color:#f5f8fa; }
-    .bp3-dark label.bp3-label.bp3-disabled,
-    .bp3-dark label.bp3-label.bp3-disabled .bp3-text-muted{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 14px;
-          flex:1 1 14px;
-  min-height:0;
-  padding:0;
-  width:30px; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:first-child{
-    border-radius:0 3px 0 0; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:last-child{
-    border-radius:0 0 3px 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:first-child{
-  border-radius:3px 0 0 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:last-child{
-  border-radius:0 0 0 3px; }
-
-.bp3-numeric-input.bp3-large .bp3-button-group.bp3-vertical > .bp3-button{
-  width:40px; }
-
-form{
-  display:block; }
-.bp3-html-select select,
-.bp3-select select{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border:none;
-  border-radius:3px;
-  cursor:pointer;
-  font-size:14px;
-  -webkit-box-pack:center;
-      -ms-flex-pack:center;
-          justify-content:center;
-  padding:5px 10px;
-  text-align:left;
-  vertical-align:middle;
-  background-color:#f5f8fa;
-  background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-  background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-  color:#182026;
-  -moz-appearance:none;
-  -webkit-appearance:none;
-  border-radius:3px;
-  height:30px;
-  padding:0 25px 0 10px;
-  width:100%; }
-  .bp3-html-select select > *, .bp3-select select > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
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-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-html-select select::before,
-  .bp3-select select::before, .bp3-html-select select > *, .bp3-select select > *{
-    margin-right:7px; }
-  .bp3-html-select select:empty::before,
-  .bp3-select select:empty::before,
-  .bp3-html-select select > :last-child,
-  .bp3-select select > :last-child{
-    margin-right:0; }
-  .bp3-html-select select:hover,
-  .bp3-select select:hover{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-html-select select:active,
-  .bp3-select select:active, .bp3-html-select select.bp3-active,
-  .bp3-select select.bp3-active{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-html-select select:disabled,
-  .bp3-select select:disabled, .bp3-html-select select.bp3-disabled,
-  .bp3-select select.bp3-disabled{
-    background-color:rgba(206, 217, 224, 0.5);
-    background-image:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    outline:none; }
-    .bp3-html-select select:disabled.bp3-active,
-    .bp3-select select:disabled.bp3-active, .bp3-html-select select:disabled.bp3-active:hover,
-    .bp3-select select:disabled.bp3-active:hover, .bp3-html-select select.bp3-disabled.bp3-active,
-    .bp3-select select.bp3-disabled.bp3-active, .bp3-html-select select.bp3-disabled.bp3-active:hover,
-    .bp3-select select.bp3-disabled.bp3-active:hover{
-      background:rgba(206, 217, 224, 0.7); }
-
-.bp3-html-select.bp3-minimal select,
-.bp3-select.bp3-minimal select{
-  background:none;
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  .bp3-html-select.bp3-minimal select:hover,
-  .bp3-select.bp3-minimal select:hover{
-    background:rgba(167, 182, 194, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026;
-    text-decoration:none; }
-  .bp3-html-select.bp3-minimal select:active,
-  .bp3-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal select.bp3-active,
-  .bp3-select.bp3-minimal select.bp3-active{
-    background:rgba(115, 134, 148, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026; }
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-  .bp3-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal select:disabled:hover,
-  .bp3-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal select.bp3-disabled,
-  .bp3-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal select.bp3-disabled:hover,
-  .bp3-select.bp3-minimal select.bp3-disabled:hover{
-    background:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-    .bp3-html-select.bp3-minimal select:disabled.bp3-active,
-    .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active{
-      background:rgba(115, 134, 148, 0.3); }
-  .bp3-dark .bp3-html-select.bp3-minimal select, .bp3-html-select.bp3-minimal .bp3-dark select,
-  .bp3-dark .bp3-select.bp3-minimal select, .bp3-select.bp3-minimal .bp3-dark select{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover, .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover{
-      background:rgba(138, 155, 168, 0.15); }
-    .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:rgba(138, 155, 168, 0.3);
-      color:#f5f8fa; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal .bp3-dark select:disabled,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled, .bp3-select.bp3-minimal .bp3-dark select:disabled, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled:hover, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover{
-      background:none;
-      color:rgba(167, 182, 194, 0.6);
-      cursor:not-allowed; }
-      .bp3-dark .bp3-html-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active{
-        background:rgba(138, 155, 168, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-primary,
-  .bp3-select.bp3-minimal select.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover{
-      background:rgba(19, 124, 189, 0.15);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:rgba(19, 124, 189, 0.3);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled{
-      background:none;
-      color:rgba(16, 107, 163, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active{
-        background:rgba(19, 124, 189, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-      stroke:#106ba3; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary{
-      color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.2);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(72, 175, 240, 0.5); }
-        .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-success,
-  .bp3-select.bp3-minimal select.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover{
-      background:rgba(15, 153, 96, 0.15);
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:rgba(15, 153, 96, 0.3);
-      color:#0d8050; }
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-    .bp3-select.bp3-minimal select.bp3-intent-success:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled{
-      background:none;
-      color:rgba(13, 128, 80, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active{
-        background:rgba(15, 153, 96, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-      stroke:#0d8050; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success{
-      color:#3dcc91; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.2);
-        color:#3dcc91; }
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-
-.bp3-dark table.bp3-html-table{ }
-  .bp3-dark table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-    background:rgba(92, 112, 128, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-      -webkit-box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15);
-              box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:first-child{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:hover td{
-    background-color:rgba(92, 112, 128, 0.3);
-    cursor:pointer; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:active td{
-    background-color:rgba(92, 112, 128, 0.4); }
-
-.bp3-key-combo{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center; }
-  .bp3-key-combo > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-key-combo > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-key-combo::before,
-  .bp3-key-combo > *{
-    margin-right:5px; }
-  .bp3-key-combo:empty::before,
-  .bp3-key-combo > :last-child{
-    margin-right:0; }
-
-.bp3-hotkey-dialog{
-  padding-bottom:0;
-  top:40px; }
-  .bp3-hotkey-dialog .bp3-dialog-body{
-    margin:0;
-    padding:0; }
-  .bp3-hotkey-dialog .bp3-hotkey-label{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1; }
-
-.bp3-hotkey-column{
-  margin:auto;
-  max-height:80vh;
-  overflow-y:auto;
-  padding:30px; }
-  .bp3-hotkey-column .bp3-heading{
-    margin-bottom:20px; }
-    .bp3-hotkey-column .bp3-heading:not(:first-child){
-      margin-top:40px; }
-
-.bp3-hotkey{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-pack:justify;
-      -ms-flex-pack:justify;
-          justify-content:space-between;
-  margin-left:0;
-  margin-right:0; }
-  .bp3-hotkey:not(:last-child){
-    margin-bottom:10px; }
-.bp3-icon{
-  display:inline-block;
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  vertical-align:text-bottom; }
-  .bp3-icon:not(:empty)::before{
-    content:"" !important;
-    content:unset !important; }
-  .bp3-icon > svg{
-    display:block; }
-    .bp3-icon > svg:not([fill]){
-      fill:currentColor; }
-
-.bp3-icon.bp3-intent-primary, .bp3-icon-standard.bp3-intent-primary, .bp3-icon-large.bp3-intent-primary{
-  color:#106ba3; }
-  .bp3-dark .bp3-icon.bp3-intent-primary, .bp3-dark .bp3-icon-standard.bp3-intent-primary, .bp3-dark .bp3-icon-large.bp3-intent-primary{
-    color:#48aff0; }
-
-.bp3-icon.bp3-intent-success, .bp3-icon-standard.bp3-intent-success, .bp3-icon-large.bp3-intent-success{
-  color:#0d8050; }
-  .bp3-dark .bp3-icon.bp3-intent-success, .bp3-dark .bp3-icon-standard.bp3-intent-success, .bp3-dark .bp3-icon-large.bp3-intent-success{
-    color:#3dcc91; }
-
-.bp3-icon.bp3-intent-warning, .bp3-icon-standard.bp3-intent-warning, .bp3-icon-large.bp3-intent-warning{
-  color:#bf7326; }
-  .bp3-dark .bp3-icon.bp3-intent-warning, .bp3-dark .bp3-icon-standard.bp3-intent-warning, .bp3-dark .bp3-icon-large.bp3-intent-warning{
-    color:#ffb366; }
-
-.bp3-icon.bp3-intent-danger, .bp3-icon-standard.bp3-intent-danger, .bp3-icon-large.bp3-intent-danger{
-  color:#c23030; }
-  .bp3-dark .bp3-icon.bp3-intent-danger, .bp3-dark .bp3-icon-standard.bp3-intent-danger, .bp3-dark .bp3-icon-large.bp3-intent-danger{
-    color:#ff7373; }
-
-span.bp3-icon-standard{
-  font-family:"Icons16", sans-serif;
-  font-size:16px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon-large{
-  font-family:"Icons20", sans-serif;
-  font-size:20px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon:empty{
-  font-family:"Icons20";
-  font-size:inherit;
-  font-style:normal;
-  font-weight:400;
-  line-height:1; }
-  span.bp3-icon:empty::before{
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased; }
-
-.bp3-icon-add::before{
-  content:""; }
-
-.bp3-icon-add-column-left::before{
-  content:""; }
-
-.bp3-icon-add-column-right::before{
-  content:""; }
-
-.bp3-icon-add-row-bottom::before{
-  content:""; }
-
-.bp3-icon-add-row-top::before{
-  content:""; }
-
-.bp3-icon-add-to-artifact::before{
-  content:""; }
-
-.bp3-icon-add-to-folder::before{
-  content:""; }
-
-.bp3-icon-airplane::before{
-  content:""; }
-
-.bp3-icon-align-center::before{
-  content:""; }
-
-.bp3-icon-align-justify::before{
-  content:""; }
-
-.bp3-icon-align-left::before{
-  content:""; }
-
-.bp3-icon-align-right::before{
-  content:""; }
-
-.bp3-icon-alignment-bottom::before{
-  content:""; }
-
-.bp3-icon-alignment-horizontal-center::before{
-  content:""; }
-
-.bp3-icon-alignment-left::before{
-  content:""; }
-
-.bp3-icon-alignment-right::before{
-  content:""; }
-
-.bp3-icon-alignment-top::before{
-  content:""; }
-
-.bp3-icon-alignment-vertical-center::before{
-  content:""; }
-
-.bp3-icon-annotation::before{
-  content:""; }
-
-.bp3-icon-application::before{
-  content:""; }
-
-.bp3-icon-applications::before{
-  content:""; }
-
-.bp3-icon-archive::before{
-  content:""; }
-
-.bp3-icon-arrow-bottom-left::before{
-  content:"↙"; }
-
-.bp3-icon-arrow-bottom-right::before{
-  content:"↘"; }
-
-.bp3-icon-arrow-down::before{
-  content:"↓"; }
-
-.bp3-icon-arrow-left::before{
-  content:"←"; }
-
-.bp3-icon-arrow-right::before{
-  content:"→"; }
-
-.bp3-icon-arrow-top-left::before{
-  content:"↖"; }
-
-.bp3-icon-arrow-top-right::before{
-  content:"↗"; }
-
-.bp3-icon-arrow-up::before{
-  content:"↑"; }
-
-.bp3-icon-arrows-horizontal::before{
-  content:"↔"; }
-
-.bp3-icon-arrows-vertical::before{
-  content:"↕"; }
-
-.bp3-icon-asterisk::before{
-  content:"*"; }
-
-.bp3-icon-automatic-updates::before{
-  content:""; }
-
-.bp3-icon-badge::before{
-  content:""; }
-
-.bp3-icon-ban-circle::before{
-  content:""; }
-
-.bp3-icon-bank-account::before{
-  content:""; }
-
-.bp3-icon-barcode::before{
-  content:""; }
-
-.bp3-icon-blank::before{
-  content:""; }
-
-.bp3-icon-blocked-person::before{
-  content:""; }
-
-.bp3-icon-bold::before{
-  content:""; }
-
-.bp3-icon-book::before{
-  content:""; }
-
-.bp3-icon-bookmark::before{
-  content:""; }
-
-.bp3-icon-box::before{
-  content:""; }
-
-.bp3-icon-briefcase::before{
-  content:""; }
-
-.bp3-icon-bring-data::before{
-  content:""; }
-
-.bp3-icon-build::before{
-  content:""; }
-
-.bp3-icon-calculator::before{
-  content:""; }
-
-.bp3-icon-calendar::before{
-  content:""; }
-
-.bp3-icon-camera::before{
-  content:""; }
-
-.bp3-icon-caret-down::before{
-  content:"⌄"; }
-
-.bp3-icon-caret-left::before{
-  content:"〈"; }
-
-.bp3-icon-caret-right::before{
-  content:"〉"; }
-
-.bp3-icon-caret-up::before{
-  content:"⌃"; }
-
-.bp3-icon-cell-tower::before{
-  content:""; }
-
-.bp3-icon-changes::before{
-  content:""; }
-
-.bp3-icon-chart::before{
-  content:""; }
-
-.bp3-icon-chat::before{
-  content:""; }
-
-.bp3-icon-chevron-backward::before{
-  content:""; }
-
-.bp3-icon-chevron-down::before{
-  content:""; }
-
-.bp3-icon-chevron-forward::before{
-  content:""; }
-
-.bp3-icon-chevron-left::before{
-  content:""; }
-
-.bp3-icon-chevron-right::before{
-  content:""; }
-
-.bp3-icon-chevron-up::before{
-  content:""; }
-
-.bp3-icon-circle::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-down::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-left::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-right::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-circle-arrow-up::before{
-  content:""; }
+.jp-Collapse {
+  display: flex;
+  flex-direction: column;
+  align-items: stretch;
+}
 
-.bp3-icon-citation::before{
-  content:""; }
+.jp-Collapse-header {
+  padding: 1px 12px;
+  background-color: var(--jp-layout-color1);
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  align-items: center;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  text-transform: uppercase;
+  user-select: none;
+}
 
-.bp3-icon-clean::before{
-  content:""; }
+.jp-Collapser-icon {
+  height: 16px;
+}
 
-.bp3-icon-clipboard::before{
-  content:""; }
+.jp-Collapse-header-collapsed .jp-Collapser-icon {
+  transform: rotate(-90deg);
+  margin: auto 0;
+}
 
-.bp3-icon-cloud::before{
-  content:"☁"; }
+.jp-Collapser-title {
+  line-height: 25px;
+}
 
-.bp3-icon-cloud-download::before{
-  content:""; }
+.jp-Collapse-contents {
+  padding: 0 12px;
+  background-color: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
+}
 
-.bp3-icon-cloud-upload::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-code::before{
-  content:""; }
+/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
 
-.bp3-icon-code-block::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-cog::before{
-  content:""; }
+/* Icons urls */
 
-.bp3-icon-collapse-all::before{
-  content:""; }
-
-.bp3-icon-column-layout::before{
-  content:""; }
-
-.bp3-icon-comment::before{
-  content:""; }
+:root {
+  --jp-icon-add-above: url(data:image/svg+xml;base64,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);
+  --jp-icon-add-below: url(data:image/svg+xml;base64,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);
+  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-bell: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yMCA4aC0yLjgxYy0uNDUtLjc4LTEuMDctMS40NS0xLjgyLTEuOTZMMTcgNC40MSAxNS41OSAzbC0yLjE3IDIuMTdDMTIuOTYgNS4wNiAxMi40OSA1IDEyIDVjLS40OSAwLS45Ni4wNi0xLjQxLjE3TDguNDEgMyA3IDQuNDFsMS42MiAxLjYzQzcuODggNi41NSA3LjI2IDcuMjIgNi44MSA4SDR2MmgyLjA5Yy0uMDUuMzMtLjA5LjY2LS4wOSAxdjFINHYyaDJ2MWMwIC4zNC4wNC42Ny4wOSAxSDR2MmgyLjgxYzEuMDQgMS43OSAyLjk3IDMgNS4xOSAzczQuMTUtMS4yMSA1LjE5LTNIMjB2LTJoLTIuMDljLjA1LS4zMy4wOS0uNjYuMDktMXYtMWgydi0yaC0ydi0xYzAtLjM0LS4wNC0uNjctLjA5LTFIMjBWOHptLTYgOGgtNHYtMmg0djJ6bTAtNGgtNHYtMmg0djJ6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-build: url(data:image/svg+xml;base64,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);
+  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
+  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik05IDE2LjE3TDQuODMgMTJsLTEuNDIgMS40MUw5IDE5IDIxIDdsLTEuNDEtMS40MXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-circle: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iOSIgY3k9IjkiIHI9IjgiLz4KICA8L2c+Cjwvc3ZnPgo=);
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+  --jp-icon-file-upload: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTZoNnYtNmg0bC03LTctNyA3aDR6bS00IDJoMTR2Mkg1eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-file: url(data:image/svg+xml;base64,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);
+  --jp-icon-filter-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-filter-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEwIDE4aDR2LTJoLTR2MnpNMyA2djJoMThWNkgzem0zIDdoMTJ2LTJINnYyeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-filter: url(data:image/svg+xml;base64,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);
+  --jp-icon-folder-favorite: url(data:image/svg+xml;base64,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);
+  --jp-icon-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY4YzAtMS4xLS45LTItMi0yaC04bC0yLTJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-home: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjRweCIgdmlld0JveD0iMCAwIDI0IDI0IiB3aWR0aD0iMjRweCIgZmlsbD0iIzAwMDAwMCI+CiAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPjxwYXRoIGNsYXNzPSJqcC1pY29uMyBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xMCAyMHYtNmg0djZoNXYtOGgzTDEyIDMgMiAxMmgzdjh6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-html5: url(data:image/svg+xml;base64,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);
+  --jp-icon-image: url(data:image/svg+xml;base64,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);
+  --jp-icon-info: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUwLjk3OCA1MC45NzgiPgoJPGcgY2xhc3M9ImpwLWljb24zIiBmaWxsPSIjNjE2MTYxIj4KCQk8cGF0aCBkPSJNNDMuNTIsNy40NThDMzguNzExLDIuNjQ4LDMyLjMwNywwLDI1LjQ4OSwwQzE4LjY3LDAsMTIuMjY2LDIuNjQ4LDcuNDU4LDcuNDU4CgkJCWMtOS45NDMsOS45NDEtOS45NDMsMjYuMTE5LDAsMzYuMDYyYzQuODA5LDQuODA5LDExLjIxMiw3LjQ1NiwxOC4wMzEsNy40NThjMCwwLDAuMDAxLDAsMC4wMDIsMAoJCQljNi44MTYsMCwxMy4yMjEtMi42NDgsMTguMDI5LTcuNDU4YzQuODA5LTQuODA5LDcuNDU3LTExLjIxMiw3LjQ1Ny0xOC4wM0M1MC45NzcsMTguNjcsNDguMzI4LDEyLjI2Niw0My41Miw3LjQ1OHoKCQkJIE00Mi4xMDYsNDIuMTA1Yy00LjQzMiw0LjQzMS0xMC4zMzIsNi44NzItMTYuNjE1LDYuODcyaC0wLjAwMmMtNi4yODUtMC4wMDEtMTIuMTg3LTIuNDQxLTE2LjYxNy02Ljg3MgoJCQljLTkuMTYyLTkuMTYzLTkuMTYyLTI0LjA3MSwwLTMzLjIzM0MxMy4zMDMsNC40NCwxOS4yMDQsMiwyNS40ODksMmM2LjI4NCwwLDEyLjE4NiwyLjQ0LDE2LjYxNyw2Ljg3MgoJCQljNC40MzEsNC40MzEsNi44NzEsMTAuMzMyLDYuODcxLDE2LjYxN0M0OC45NzcsMzEuNzcyLDQ2LjUzNiwzNy42NzUsNDIuMTA2LDQyLjEwNXoiLz4KCQk8cGF0aCBkPSJNMjMuNTc4LDMyLjIxOGMtMC4wMjMtMS43MzQsMC4xNDMtMy4wNTksMC40OTYtMy45NzJjMC4zNTMtMC45MTMsMS4xMS0xLjk5NywyLjI3Mi0zLjI1MwoJCQljMC40NjgtMC41MzYsMC45MjMtMS4wNjIsMS4zNjctMS41NzVjMC42MjYtMC43NTMsMS4xMDQtMS40NzgsMS40MzYtMi4xNzVjMC4zMzEtMC43MDcsMC40OTUtMS41NDEsMC40OTUtMi41CgkJCWMwLTEuMDk2LTAuMjYtMi4wODgtMC43NzktMi45NzljLTAuNTY1LTAuODc5LTEuNTAxLTEuMzM2LTIuODA2LTEuMzY5Yy0xLjgwMiwwLjA1Ny0yLjk4NSwwLjY2Ny0zLjU1LDEuODMyCgkJCWMtMC4zMDEsMC41MzUtMC41MDMsMS4xNDEtMC42MDcsMS44MTRjLTAuMTM5LDAuNzA3LTAuMjA3LDEuNDMyLTAuMjA3LDIuMTc0aC0yLjkzN2MtMC4wOTEtMi4yMDgsMC40MDctNC4xMTQsMS40OTMtNS43MTkKCQkJYzEuMDYyLTEuNjQsMi44NTUtMi40ODEsNS4zNzgtMi41MjdjMi4xNiwwLjAyMywzLjg3NCwwLjYwOCw1LjE0MSwxLjc1OGMxLjI3OCwxLjE2LDEuOTI5LDIuNzY0LDEuOTUsNC44MTEKCQkJYzAsMS4xNDItMC4xMzcsMi4xMTEtMC40MSwyLjkxMWMtMC4zMDksMC44NDUtMC43MzEsMS41OTMtMS4yNjgsMi4yNDNjLTAuNDkyLDAuNjUtMS4wNjgsMS4zMTgtMS43MywyLjAwMgoJCQljLTAuNjUsMC42OTctMS4zMTMsMS40NzktMS45ODcsMi4zNDZjLTAuMjM5LDAuMzc3LTAuNDI5LDAuNzc3LTAuNTY1LDEuMTk5Yy0wLjE2LDAuOTU5LTAuMjE3LDEuOTUxLTAuMTcxLDIuOTc5CgkJCUMyNi41ODksMzIuMjE4LDIzLjU3OCwzMi4yMTgsMjMuNTc4LDMyLjIxOHogTTIzLjU3OCwzOC4yMnYtMy40ODRoMy4wNzZ2My40ODRIMjMuNTc4eiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-inspector: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaW5zcGVjdG9yLWljb24tY29sb3IganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY2YzAtMS4xLS45LTItMi0yem0tNSAxNEg0di00aDExdjR6bTAtNUg0VjloMTF2NHptNSA1aC00VjloNHY5eiIvPgo8L3N2Zz4K);
+  --jp-icon-json: url(data:image/svg+xml;base64,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);
+  --jp-icon-julia: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyter-favicon: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyter: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyterlab-wordmark: 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+  --jp-icon-kernel: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiIgZmlsbD0iIzYxNjE2MSIgZD0iTTE1IDlIOXY2aDZWOXptLTIgNGgtMnYtMmgydjJ6bTgtMlY5aC0yVjdjMC0xLjEtLjktMi0yLTJoLTJWM2gtMnYyaC0yVjNIOXYySDdjLTEuMSAwLTIgLjktMiAydjJIM3YyaDJ2MkgzdjJoMnYyYzAgMS4xLjkgMiAyIDJoMnYyaDJ2LTJoMnYyaDJ2LTJoMmMxLjEgMCAyLS45IDItMnYtMmgydi0yaC0ydi0yaDJ6bS00IDZIN1Y3aDEwdjEweiIvPgo8L3N2Zz4K);
+  --jp-icon-keyboard: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNUg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMTdjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY3YzAtMS4xLS45LTItMi0yem0tOSAzaDJ2MmgtMlY4em0wIDNoMnYyaC0ydi0yek04IDhoMnYySDhWOHptMCAzaDJ2Mkg4di0yem0tMSAySDV2LTJoMnYyem0wLTNINVY4aDJ2MnptOSA3SDh2LTJoOHYyem0wLTRoLTJ2LTJoMnYyem0wLTNoLTJWOGgydjJ6bTMgM2gtMnYtMmgydjJ6bTAtM2gtMlY4aDJ2MnoiLz4KPC9zdmc+Cg==);
+  --jp-icon-launch: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMzIgMzIiIHdpZHRoPSIzMiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yNiwyOEg2YTIuMDAyNywyLjAwMjcsMCwwLDEtMi0yVjZBMi4wMDI3LDIuMDAyNywwLDAsMSw2LDRIMTZWNkg2VjI2SDI2VjE2aDJWMjZBMi4wMDI3LDIuMDAyNywwLDAsMSwyNiwyOFoiLz4KICAgIDxwb2x5Z29uIHBvaW50cz0iMjAgMiAyMCA0IDI2LjU4NiA0IDE4IDEyLjU4NiAxOS40MTQgMTQgMjggNS40MTQgMjggMTIgMzAgMTIgMzAgMiAyMCAyIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-launcher: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkgMTlINVY1aDdWM0g1YTIgMiAwIDAwLTIgMnYxNGEyIDIgMCAwMDIgMmgxNGMxLjEgMCAyLS45IDItMnYtN2gtMnY3ek0xNCAzdjJoMy41OWwtOS44MyA5LjgzIDEuNDEgMS40MUwxOSA2LjQxVjEwaDJWM2gtN3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-line-form: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGZpbGw9IndoaXRlIiBkPSJNNS44OCA0LjEyTDEzLjc2IDEybC03Ljg4IDcuODhMOCAyMmwxMC0xMEw4IDJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-link: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTMuOSAxMmMwLTEuNzEgMS4zOS0zLjEgMy4xLTMuMWg0VjdIN2MtMi43NiAwLTUgMi4yNC01IDVzMi4yNCA1IDUgNWg0di0xLjlIN2MtMS43MSAwLTMuMS0xLjM5LTMuMS0zLjF6TTggMTNoOHYtMkg4djJ6bTktNmgtNHYxLjloNGMxLjcxIDAgMy4xIDEuMzkgMy4xIDMuMXMtMS4zOSAzLjEtMy4xIDMuMWgtNFYxN2g0YzIuNzYgMCA1LTIuMjQgNS01cy0yLjI0LTUtNS01eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xOSA1djE0SDVWNWgxNG0xLjEtMkgzLjljLS41IDAtLjkuNC0uOS45djE2LjJjMCAuNC40LjkuOS45aDE2LjJjLjQgMCAuOS0uNS45LS45VjMuOWMwLS41LS41LS45LS45LS45ek0xMSA3aDZ2MmgtNlY3em0wIDRoNnYyaC02di0yem0wIDRoNnYyaC02ek03IDdoMnYySDd6bTAgNGgydjJIN3ptMCA0aDJ2Mkg3eiIvPgo8L3N2Zz4K);
+  --jp-icon-markdown: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-down: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTQiIGhlaWdodD0iMTQiIHZpZXdCb3g9IjAgMCAxNCAxNCIgZmlsbD0ibm9uZSIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KPHBhdGggY2xhc3M9ImpwLWljb24zIiBkPSJNMTIuNDcxIDcuNTI4OTlDMTIuNzYzMiA3LjIzNjg0IDEyLjc2MzIgNi43NjMxNiAxMi40NzEgNi40NzEwMVY2LjQ3MTAxQzEyLjE3OSA2LjE3OTA1IDExLjcwNTcgNi4xNzg4NCAxMS40MTM1IDYuNDcwNTRMNy43NSAxMC4xMjc1VjEuNzVDNy43NSAxLjMzNTc5IDcuNDE0MjEgMSA3IDFWMUM2LjU4NTc5IDEgNi4yNSAxLjMzNTc5IDYuMjUgMS43NVYxMC4xMjc1TDIuNTk3MjYgNi40NjgyMkMyLjMwMzM4IDYuMTczODEgMS44MjY0MSA2LjE3MzU5IDEuNTMyMjYgNi40Njc3NFY2LjQ2Nzc0QzEuMjM4MyA2Ljc2MTcgMS4yMzgzIDcuMjM4MyAxLjUzMjI2IDcuNTMyMjZMNi4yOTI4OSAxMi4yOTI5QzYuNjgzNDIgMTIuNjgzNCA3LjMxNjU4IDEyLjY4MzQgNy43MDcxMSAxMi4yOTI5TDEyLjQ3MSA3LjUyODk5WiIgZmlsbD0iIzYxNjE2MSIvPgo8L3N2Zz4K);
+  --jp-icon-move-up: url(data:image/svg+xml;base64,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);
+  --jp-icon-new-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwIDZoLThsLTItMkg0Yy0xLjExIDAtMS45OS44OS0xLjk5IDJMMiAxOGMwIDEuMTEuODkgMiAyIDJoMTZjMS4xMSAwIDItLjg5IDItMlY4YzAtMS4xMS0uODktMi0yLTJ6bS0xIDhoLTN2M2gtMnYtM2gtM3YtMmgzVjloMnYzaDN2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-not-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-notebook: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtbm90ZWJvb2staWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiNFRjZDMDAiPgogICAgPHBhdGggZD0iTTE4LjcgMy4zdjE1LjRIMy4zVjMuM2gxNS40bTEuNS0xLjVIMS44djE4LjNoMTguM2wuMS0xOC4zeiIvPgogICAgPHBhdGggZD0iTTE2LjUgMTYuNWwtNS40LTQuMy01LjYgNC4zdi0xMWgxMXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-numbering: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTQgMTlINlYxOS41SDVWMjAuNUg2VjIxSDRWMjJIN1YxOEg0VjE5Wk01IDEwSDZWNkg0VjdINVYxMFpNNCAxM0g1LjhMNCAxNS4xVjE2SDdWMTVINS4yTDcgMTIuOVYxMkg0VjEzWk05IDdWOUgyM1Y3SDlaTTkgMjFIMjNWMTlIOVYyMVpNOSAxNUgyM1YxM0g5VjE1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-offline-bolt: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDIuMDJjLTUuNTEgMC05Ljk4IDQuNDctOS45OCA5Ljk4czQuNDcgOS45OCA5Ljk4IDkuOTggOS45OC00LjQ3IDkuOTgtOS45OFMxNy41MSAyLjAyIDEyIDIuMDJ6TTExLjQ4IDIwdi02LjI2SDhMMTMgNHY2LjI2aDMuMzVMMTEuNDggMjB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-palette: url(data:image/svg+xml;base64,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);
+  --jp-icon-paste: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE5IDJoLTQuMThDMTQuNC44NCAxMy4zIDAgMTIgMGMtMS4zIDAtMi40Ljg0LTIuODIgMkg1Yy0xLjEgMC0yIC45LTIgMnYxNmMwIDEuMS45IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjRjMC0xLjEtLjktMi0yLTJ6bS03IDBjLjU1IDAgMSAuNDUgMSAxcy0uNDUgMS0xIDEtMS0uNDUtMS0xIC40NS0xIDEtMXptNyAxOEg1VjRoMnYzaDEwVjRoMnYxNnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-pdf: url(data:image/svg+xml;base64,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);
+  --jp-icon-python: url(data:image/svg+xml;base64,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);
+  --jp-icon-r-kernel: url(data:image/svg+xml;base64,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);
+  --jp-icon-react: url(data:image/svg+xml;base64,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);
+  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-regex: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KICA8ZyBjbGFzcz0ianAtaWNvbjIiIGZpbGw9IiM0MTQxNDEiPgogICAgPHJlY3QgeD0iMiIgeT0iMiIgd2lkdGg9IjE2IiBoZWlnaHQ9IjE2Ii8+CiAgPC9nPgoKICA8ZyBjbGFzcz0ianAtaWNvbi1hY2NlbnQyIiBmaWxsPSIjRkZGIj4KICAgIDxjaXJjbGUgY2xhc3M9InN0MiIgY3g9IjUuNSIgY3k9IjE0LjUiIHI9IjEuNSIvPgogICAgPHJlY3QgeD0iMTIiIHk9IjQiIGNsYXNzPSJzdDIiIHdpZHRoPSIxIiBoZWlnaHQ9IjgiLz4KICAgIDxyZWN0IHg9IjguNSIgeT0iNy41IiB0cmFuc2Zvcm09Im1hdHJpeCgwLjg2NiAtMC41IDAuNSAwLjg2NiAtMi4zMjU1IDcuMzIxOSkiIGNsYXNzPSJzdDIiIHdpZHRoPSI4IiBoZWlnaHQ9IjEiLz4KICAgIDxyZWN0IHg9IjEyIiB5PSI0IiB0cmFuc2Zvcm09Im1hdHJpeCgwLjUgLTAuODY2IDAuODY2IDAuNSAtMC42Nzc5IDE0LjgyNTIpIiBjbGFzcz0ic3QyIiB3aWR0aD0iMSIgaGVpZ2h0PSI4Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-run: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTggNXYxNGwxMS03eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-search: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjEsMTAuOWgtMC43bC0wLjItMC4yYzAuOC0wLjksMS4zLTIuMiwxLjMtMy41YzAtMy0yLjQtNS40LTUuNC01LjRTMS44LDQuMiwxLjgsNy4xczIuNCw1LjQsNS40LDUuNCBjMS4zLDAsMi41LTAuNSwzLjUtMS4zbDAuMiwwLjJ2MC43bDQuMSw0LjFsMS4yLTEuMkwxMi4xLDEwLjl6IE03LjEsMTAuOWMtMi4xLDAtMy43LTEuNy0zLjctMy43czEuNy0zLjcsMy43LTMuN3MzLjcsMS43LDMuNywzLjcgUzkuMiwxMC45LDcuMSwxMC45eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-settings: url(data:image/svg+xml;base64,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);
+  --jp-icon-share: url(data:image/svg+xml;base64,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);
+  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-tag: url(data:image/svg+xml;base64,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);
+  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
+  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtdGV4dC1lZGl0b3ItaWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xNSAxNUgzdjJoMTJ2LTJ6bTAtOEgzdjJoMTJWN3pNMyAxM2gxOHYtMkgzdjJ6bTAgOGgxOHYtMkgzdjJ6TTMgM3YyaDE4VjNIM3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-toc: url(data:image/svg+xml;base64,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);
+  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-user: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE2IDdhNCA0IDAgMTEtOCAwIDQgNCAwIDAxOCAwek0xMiAxNGE3IDcgMCAwMC03IDdoMTRhNyA3IDAgMDAtNy03eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-users: url(data:image/svg+xml;base64,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);
+  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-word: url(data:image/svg+xml;base64,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);
+  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+}
 
-.bp3-icon-comparison::before{
-  content:""; }
+/* Icon CSS class declarations */
 
-.bp3-icon-compass::before{
-  content:""; }
+.jp-AddAboveIcon {
+  background-image: var(--jp-icon-add-above);
+}
 
-.bp3-icon-compressed::before{
-  content:""; }
+.jp-AddBelowIcon {
+  background-image: var(--jp-icon-add-below);
+}
 
-.bp3-icon-confirm::before{
-  content:""; }
+.jp-AddIcon {
+  background-image: var(--jp-icon-add);
+}
 
-.bp3-icon-console::before{
-  content:""; }
+.jp-BellIcon {
+  background-image: var(--jp-icon-bell);
+}
 
-.bp3-icon-contrast::before{
-  content:""; }
+.jp-BugDotIcon {
+  background-image: var(--jp-icon-bug-dot);
+}
 
-.bp3-icon-control::before{
-  content:""; }
+.jp-BugIcon {
+  background-image: var(--jp-icon-bug);
+}
 
-.bp3-icon-credit-card::before{
-  content:""; }
+.jp-BuildIcon {
+  background-image: var(--jp-icon-build);
+}
 
-.bp3-icon-cross::before{
-  content:"✗"; }
+.jp-CaretDownEmptyIcon {
+  background-image: var(--jp-icon-caret-down-empty);
+}
 
-.bp3-icon-crown::before{
-  content:""; }
+.jp-CaretDownEmptyThinIcon {
+  background-image: var(--jp-icon-caret-down-empty-thin);
+}
 
-.bp3-icon-cube::before{
-  content:""; }
+.jp-CaretDownIcon {
+  background-image: var(--jp-icon-caret-down);
+}
 
-.bp3-icon-cube-add::before{
-  content:""; }
+.jp-CaretLeftIcon {
+  background-image: var(--jp-icon-caret-left);
+}
 
-.bp3-icon-cube-remove::before{
-  content:""; }
+.jp-CaretRightIcon {
+  background-image: var(--jp-icon-caret-right);
+}
 
-.bp3-icon-curved-range-chart::before{
-  content:""; }
+.jp-CaretUpEmptyThinIcon {
+  background-image: var(--jp-icon-caret-up-empty-thin);
+}
 
-.bp3-icon-cut::before{
-  content:""; }
+.jp-CaretUpIcon {
+  background-image: var(--jp-icon-caret-up);
+}
 
-.bp3-icon-dashboard::before{
-  content:""; }
+.jp-CaseSensitiveIcon {
+  background-image: var(--jp-icon-case-sensitive);
+}
 
-.bp3-icon-data-lineage::before{
-  content:""; }
+.jp-CheckIcon {
+  background-image: var(--jp-icon-check);
+}
 
-.bp3-icon-database::before{
-  content:""; }
+.jp-CircleEmptyIcon {
+  background-image: var(--jp-icon-circle-empty);
+}
 
-.bp3-icon-delete::before{
-  content:""; }
+.jp-CircleIcon {
+  background-image: var(--jp-icon-circle);
+}
 
-.bp3-icon-delta::before{
-  content:"Δ"; }
+.jp-ClearIcon {
+  background-image: var(--jp-icon-clear);
+}
 
-.bp3-icon-derive-column::before{
-  content:""; }
+.jp-CloseIcon {
+  background-image: var(--jp-icon-close);
+}
 
-.bp3-icon-desktop::before{
-  content:""; }
+.jp-CodeCheckIcon {
+  background-image: var(--jp-icon-code-check);
+}
 
-.bp3-icon-diagnosis::before{
-  content:""; }
+.jp-CodeIcon {
+  background-image: var(--jp-icon-code);
+}
 
-.bp3-icon-diagram-tree::before{
-  content:""; }
+.jp-CollapseAllIcon {
+  background-image: var(--jp-icon-collapse-all);
+}
 
-.bp3-icon-direction-left::before{
-  content:""; }
+.jp-ConsoleIcon {
+  background-image: var(--jp-icon-console);
+}
 
-.bp3-icon-direction-right::before{
-  content:""; }
+.jp-CopyIcon {
+  background-image: var(--jp-icon-copy);
+}
 
-.bp3-icon-disable::before{
-  content:""; }
+.jp-CopyrightIcon {
+  background-image: var(--jp-icon-copyright);
+}
 
-.bp3-icon-document::before{
-  content:""; }
+.jp-CutIcon {
+  background-image: var(--jp-icon-cut);
+}
 
-.bp3-icon-document-open::before{
-  content:""; }
+.jp-DeleteIcon {
+  background-image: var(--jp-icon-delete);
+}
 
-.bp3-icon-document-share::before{
-  content:""; }
+.jp-DownloadIcon {
+  background-image: var(--jp-icon-download);
+}
 
-.bp3-icon-dollar::before{
-  content:"$"; }
+.jp-DuplicateIcon {
+  background-image: var(--jp-icon-duplicate);
+}
 
-.bp3-icon-dot::before{
-  content:"•"; }
+.jp-EditIcon {
+  background-image: var(--jp-icon-edit);
+}
 
-.bp3-icon-double-caret-horizontal::before{
-  content:""; }
+.jp-EllipsesIcon {
+  background-image: var(--jp-icon-ellipses);
+}
 
-.bp3-icon-double-caret-vertical::before{
-  content:""; }
+.jp-ErrorIcon {
+  background-image: var(--jp-icon-error);
+}
 
-.bp3-icon-double-chevron-down::before{
-  content:""; }
+.jp-ExpandAllIcon {
+  background-image: var(--jp-icon-expand-all);
+}
 
-.bp3-icon-double-chevron-left::before{
-  content:""; }
+.jp-ExtensionIcon {
+  background-image: var(--jp-icon-extension);
+}
 
-.bp3-icon-double-chevron-right::before{
-  content:""; }
+.jp-FastForwardIcon {
+  background-image: var(--jp-icon-fast-forward);
+}
 
-.bp3-icon-double-chevron-up::before{
-  content:""; }
+.jp-FileIcon {
+  background-image: var(--jp-icon-file);
+}
 
-.bp3-icon-doughnut-chart::before{
-  content:""; }
+.jp-FileUploadIcon {
+  background-image: var(--jp-icon-file-upload);
+}
 
-.bp3-icon-download::before{
-  content:""; }
+.jp-FilterDotIcon {
+  background-image: var(--jp-icon-filter-dot);
+}
 
-.bp3-icon-drag-handle-horizontal::before{
-  content:""; }
+.jp-FilterIcon {
+  background-image: var(--jp-icon-filter);
+}
 
-.bp3-icon-drag-handle-vertical::before{
-  content:""; }
+.jp-FilterListIcon {
+  background-image: var(--jp-icon-filter-list);
+}
 
-.bp3-icon-draw::before{
-  content:""; }
+.jp-FolderFavoriteIcon {
+  background-image: var(--jp-icon-folder-favorite);
+}
 
-.bp3-icon-drive-time::before{
-  content:""; }
+.jp-FolderIcon {
+  background-image: var(--jp-icon-folder);
+}
 
-.bp3-icon-duplicate::before{
-  content:""; }
+.jp-HomeIcon {
+  background-image: var(--jp-icon-home);
+}
 
-.bp3-icon-edit::before{
-  content:"✎"; }
+.jp-Html5Icon {
+  background-image: var(--jp-icon-html5);
+}
 
-.bp3-icon-eject::before{
-  content:"⏏"; }
+.jp-ImageIcon {
+  background-image: var(--jp-icon-image);
+}
 
-.bp3-icon-endorsed::before{
-  content:""; }
+.jp-InfoIcon {
+  background-image: var(--jp-icon-info);
+}
 
-.bp3-icon-envelope::before{
-  content:"✉"; }
+.jp-InspectorIcon {
+  background-image: var(--jp-icon-inspector);
+}
 
-.bp3-icon-equals::before{
-  content:""; }
+.jp-JsonIcon {
+  background-image: var(--jp-icon-json);
+}
 
-.bp3-icon-eraser::before{
-  content:""; }
+.jp-JuliaIcon {
+  background-image: var(--jp-icon-julia);
+}
 
-.bp3-icon-error::before{
-  content:""; }
+.jp-JupyterFaviconIcon {
+  background-image: var(--jp-icon-jupyter-favicon);
+}
 
-.bp3-icon-euro::before{
-  content:"€"; }
+.jp-JupyterIcon {
+  background-image: var(--jp-icon-jupyter);
+}
 
-.bp3-icon-exchange::before{
-  content:""; }
+.jp-JupyterlabWordmarkIcon {
+  background-image: var(--jp-icon-jupyterlab-wordmark);
+}
 
-.bp3-icon-exclude-row::before{
-  content:""; }
+.jp-KernelIcon {
+  background-image: var(--jp-icon-kernel);
+}
 
-.bp3-icon-expand-all::before{
-  content:""; }
+.jp-KeyboardIcon {
+  background-image: var(--jp-icon-keyboard);
+}
 
-.bp3-icon-export::before{
-  content:""; }
+.jp-LaunchIcon {
+  background-image: var(--jp-icon-launch);
+}
 
-.bp3-icon-eye-off::before{
-  content:""; }
+.jp-LauncherIcon {
+  background-image: var(--jp-icon-launcher);
+}
 
-.bp3-icon-eye-on::before{
-  content:""; }
+.jp-LineFormIcon {
+  background-image: var(--jp-icon-line-form);
+}
 
-.bp3-icon-eye-open::before{
-  content:""; }
+.jp-LinkIcon {
+  background-image: var(--jp-icon-link);
+}
 
-.bp3-icon-fast-backward::before{
-  content:""; }
+.jp-ListIcon {
+  background-image: var(--jp-icon-list);
+}
 
-.bp3-icon-fast-forward::before{
-  content:""; }
+.jp-MarkdownIcon {
+  background-image: var(--jp-icon-markdown);
+}
 
-.bp3-icon-feed::before{
-  content:""; }
+.jp-MoveDownIcon {
+  background-image: var(--jp-icon-move-down);
+}
 
-.bp3-icon-feed-subscribed::before{
-  content:""; }
+.jp-MoveUpIcon {
+  background-image: var(--jp-icon-move-up);
+}
 
-.bp3-icon-film::before{
-  content:""; }
+.jp-NewFolderIcon {
+  background-image: var(--jp-icon-new-folder);
+}
 
-.bp3-icon-filter::before{
-  content:""; }
+.jp-NotTrustedIcon {
+  background-image: var(--jp-icon-not-trusted);
+}
 
-.bp3-icon-filter-keep::before{
-  content:""; }
+.jp-NotebookIcon {
+  background-image: var(--jp-icon-notebook);
+}
 
-.bp3-icon-filter-list::before{
-  content:""; }
+.jp-NumberingIcon {
+  background-image: var(--jp-icon-numbering);
+}
 
-.bp3-icon-filter-open::before{
-  content:""; }
+.jp-OfflineBoltIcon {
+  background-image: var(--jp-icon-offline-bolt);
+}
 
-.bp3-icon-filter-remove::before{
-  content:""; }
+.jp-PaletteIcon {
+  background-image: var(--jp-icon-palette);
+}
 
-.bp3-icon-flag::before{
-  content:"⚑"; }
+.jp-PasteIcon {
+  background-image: var(--jp-icon-paste);
+}
 
-.bp3-icon-flame::before{
-  content:""; }
+.jp-PdfIcon {
+  background-image: var(--jp-icon-pdf);
+}
 
-.bp3-icon-flash::before{
-  content:""; }
+.jp-PythonIcon {
+  background-image: var(--jp-icon-python);
+}
 
-.bp3-icon-floppy-disk::before{
-  content:""; }
+.jp-RKernelIcon {
+  background-image: var(--jp-icon-r-kernel);
+}
 
-.bp3-icon-flow-branch::before{
-  content:""; }
+.jp-ReactIcon {
+  background-image: var(--jp-icon-react);
+}
 
-.bp3-icon-flow-end::before{
-  content:""; }
+.jp-RedoIcon {
+  background-image: var(--jp-icon-redo);
+}
 
-.bp3-icon-flow-linear::before{
-  content:""; }
+.jp-RefreshIcon {
+  background-image: var(--jp-icon-refresh);
+}
 
-.bp3-icon-flow-review::before{
-  content:""; }
+.jp-RegexIcon {
+  background-image: var(--jp-icon-regex);
+}
 
-.bp3-icon-flow-review-branch::before{
-  content:""; }
+.jp-RunIcon {
+  background-image: var(--jp-icon-run);
+}
 
-.bp3-icon-flows::before{
-  content:""; }
+.jp-RunningIcon {
+  background-image: var(--jp-icon-running);
+}
 
-.bp3-icon-folder-close::before{
-  content:""; }
+.jp-SaveIcon {
+  background-image: var(--jp-icon-save);
+}
 
-.bp3-icon-folder-new::before{
-  content:""; }
+.jp-SearchIcon {
+  background-image: var(--jp-icon-search);
+}
 
-.bp3-icon-folder-open::before{
-  content:""; }
+.jp-SettingsIcon {
+  background-image: var(--jp-icon-settings);
+}
 
-.bp3-icon-folder-shared::before{
-  content:""; }
+.jp-ShareIcon {
+  background-image: var(--jp-icon-share);
+}
 
-.bp3-icon-folder-shared-open::before{
-  content:""; }
+.jp-SpreadsheetIcon {
+  background-image: var(--jp-icon-spreadsheet);
+}
 
-.bp3-icon-follower::before{
-  content:""; }
+.jp-StopIcon {
+  background-image: var(--jp-icon-stop);
+}
 
-.bp3-icon-following::before{
-  content:""; }
+.jp-TabIcon {
+  background-image: var(--jp-icon-tab);
+}
 
-.bp3-icon-font::before{
-  content:""; }
+.jp-TableRowsIcon {
+  background-image: var(--jp-icon-table-rows);
+}
 
-.bp3-icon-fork::before{
-  content:""; }
+.jp-TagIcon {
+  background-image: var(--jp-icon-tag);
+}
 
-.bp3-icon-form::before{
-  content:""; }
+.jp-TerminalIcon {
+  background-image: var(--jp-icon-terminal);
+}
 
-.bp3-icon-full-circle::before{
-  content:""; }
+.jp-TextEditorIcon {
+  background-image: var(--jp-icon-text-editor);
+}
 
-.bp3-icon-full-stacked-chart::before{
-  content:""; }
+.jp-TocIcon {
+  background-image: var(--jp-icon-toc);
+}
 
-.bp3-icon-fullscreen::before{
-  content:""; }
+.jp-TreeViewIcon {
+  background-image: var(--jp-icon-tree-view);
+}
 
-.bp3-icon-function::before{
-  content:""; }
+.jp-TrustedIcon {
+  background-image: var(--jp-icon-trusted);
+}
 
-.bp3-icon-gantt-chart::before{
-  content:""; }
+.jp-UndoIcon {
+  background-image: var(--jp-icon-undo);
+}
 
-.bp3-icon-geolocation::before{
-  content:""; }
+.jp-UserIcon {
+  background-image: var(--jp-icon-user);
+}
 
-.bp3-icon-geosearch::before{
-  content:""; }
+.jp-UsersIcon {
+  background-image: var(--jp-icon-users);
+}
 
-.bp3-icon-git-branch::before{
-  content:""; }
+.jp-VegaIcon {
+  background-image: var(--jp-icon-vega);
+}
 
-.bp3-icon-git-commit::before{
-  content:""; }
+.jp-WordIcon {
+  background-image: var(--jp-icon-word);
+}
 
-.bp3-icon-git-merge::before{
-  content:""; }
+.jp-YamlIcon {
+  background-image: var(--jp-icon-yaml);
+}
 
-.bp3-icon-git-new-branch::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-git-pull::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-git-push::before{
-  content:""; }
+.jp-Icon,
+.jp-MaterialIcon {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-git-repo::before{
-  content:""; }
+.jp-Icon-cover {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: cover;
+}
 
-.bp3-icon-glass::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for specific CSS icon sizes
+ */
 
-.bp3-icon-globe::before{
-  content:""; }
+.jp-Icon-16 {
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-globe-network::before{
-  content:""; }
+.jp-Icon-18 {
+  background-size: 18px;
+  min-width: 18px;
+  min-height: 18px;
+}
 
-.bp3-icon-graph::before{
-  content:""; }
+.jp-Icon-20 {
+  background-size: 20px;
+  min-width: 20px;
+  min-height: 20px;
+}
 
-.bp3-icon-graph-remove::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-greater-than::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton {
+  align-items: center;
+  display: flex;
+  padding: 4px;
+  padding-bottom: 5px;
+  margin-right: 1px;
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-greater-than-or-equal-to::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton:hover {
+  background-color: var(--jp-layout-color1);
+}
 
-.bp3-icon-grid::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-tab {
+  width: var(--jp-private-horizontal-tab-width);
+}
 
-.bp3-icon-grid-view::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-content {
+  flex: unset;
+}
 
-.bp3-icon-group-objects::before{
-  content:""; }
+.lm-DockPanel-tabBar[data-orientation='horizontal'] {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-grouped-bar-chart::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-hand::before{
-  content:""; }
+/**
+ * Support for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-hand-down::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-hand-left::before{
-  content:""; }
+.jp-icon1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-hand-right::before{
-  content:""; }
+.jp-icon2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-hand-up::before{
-  content:""; }
+.jp-icon3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-header::before{
-  content:""; }
+.jp-icon4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-header-one::before{
-  content:""; }
+.jp-icon0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-header-two::before{
-  content:""; }
+.jp-icon1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-headset::before{
-  content:""; }
+.jp-icon2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-heart::before{
-  content:"♥"; }
+.jp-icon3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-heart-broken::before{
-  content:""; }
+.jp-icon4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-heat-grid::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-accent0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-heatmap::before{
-  content:""; }
+.jp-icon-accent1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-help::before{
-  content:"?"; }
+.jp-icon-accent2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-helper-management::before{
-  content:""; }
+.jp-icon-accent3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-highlight::before{
-  content:""; }
+.jp-icon-accent4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-history::before{
-  content:""; }
+.jp-icon-accent0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-home::before{
-  content:"⌂"; }
+.jp-icon-accent1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-horizontal-bar-chart::before{
-  content:""; }
+.jp-icon-accent2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-horizontal-bar-chart-asc::before{
-  content:""; }
+.jp-icon-accent3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-horizontal-bar-chart-desc::before{
-  content:""; }
+.jp-icon-accent4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-horizontal-distribution::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-none[fill] {
+  fill: none;
+}
 
-.bp3-icon-id-number::before{
-  content:""; }
+.jp-icon-none[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-image-rotate-left::before{
-  content:""; }
+/* brand icon colors. Same for light and dark */
+.jp-icon-brand0[fill] {
+  fill: var(--jp-brand-color0);
+}
 
-.bp3-icon-image-rotate-right::before{
-  content:""; }
+.jp-icon-brand1[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-import::before{
-  content:""; }
+.jp-icon-brand2[fill] {
+  fill: var(--jp-brand-color2);
+}
 
-.bp3-icon-inbox::before{
-  content:""; }
+.jp-icon-brand3[fill] {
+  fill: var(--jp-brand-color3);
+}
 
-.bp3-icon-inbox-filtered::before{
-  content:""; }
+.jp-icon-brand4[fill] {
+  fill: var(--jp-brand-color4);
+}
 
-.bp3-icon-inbox-geo::before{
-  content:""; }
+.jp-icon-brand0[stroke] {
+  stroke: var(--jp-brand-color0);
+}
 
-.bp3-icon-inbox-search::before{
-  content:""; }
+.jp-icon-brand1[stroke] {
+  stroke: var(--jp-brand-color1);
+}
 
-.bp3-icon-inbox-update::before{
-  content:""; }
+.jp-icon-brand2[stroke] {
+  stroke: var(--jp-brand-color2);
+}
 
-.bp3-icon-info-sign::before{
-  content:"ℹ"; }
+.jp-icon-brand3[stroke] {
+  stroke: var(--jp-brand-color3);
+}
 
-.bp3-icon-inheritance::before{
-  content:""; }
+.jp-icon-brand4[stroke] {
+  stroke: var(--jp-brand-color4);
+}
 
-.bp3-icon-inner-join::before{
-  content:""; }
+/* warn icon colors. Same for light and dark */
+.jp-icon-warn0[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-insert::before{
-  content:""; }
+.jp-icon-warn1[fill] {
+  fill: var(--jp-warn-color1);
+}
 
-.bp3-icon-intersection::before{
-  content:""; }
+.jp-icon-warn2[fill] {
+  fill: var(--jp-warn-color2);
+}
 
-.bp3-icon-ip-address::before{
-  content:""; }
+.jp-icon-warn3[fill] {
+  fill: var(--jp-warn-color3);
+}
 
-.bp3-icon-issue::before{
-  content:""; }
+.jp-icon-warn0[stroke] {
+  stroke: var(--jp-warn-color0);
+}
 
-.bp3-icon-issue-closed::before{
-  content:""; }
+.jp-icon-warn1[stroke] {
+  stroke: var(--jp-warn-color1);
+}
 
-.bp3-icon-issue-new::before{
-  content:""; }
+.jp-icon-warn2[stroke] {
+  stroke: var(--jp-warn-color2);
+}
 
-.bp3-icon-italic::before{
-  content:""; }
+.jp-icon-warn3[stroke] {
+  stroke: var(--jp-warn-color3);
+}
 
-.bp3-icon-join-table::before{
-  content:""; }
+/* icon colors that contrast well with each other and most backgrounds */
+.jp-icon-contrast0[fill] {
+  fill: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key::before{
-  content:""; }
+.jp-icon-contrast1[fill] {
+  fill: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-backspace::before{
-  content:""; }
+.jp-icon-contrast2[fill] {
+  fill: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-command::before{
-  content:""; }
+.jp-icon-contrast3[fill] {
+  fill: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-control::before{
-  content:""; }
-
-.bp3-icon-key-delete::before{
-  content:""; }
+.jp-icon-contrast0[stroke] {
+  stroke: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key-enter::before{
-  content:""; }
+.jp-icon-contrast1[stroke] {
+  stroke: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-escape::before{
-  content:""; }
+.jp-icon-contrast2[stroke] {
+  stroke: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-option::before{
-  content:""; }
+.jp-icon-contrast3[stroke] {
+  stroke: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-shift::before{
-  content:""; }
+.jp-icon-dot[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-key-tab::before{
-  content:""; }
+.jp-jupyter-icon-color[fill] {
+  fill: var(--jp-jupyter-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-known-vehicle::before{
-  content:""; }
+.jp-notebook-icon-color[fill] {
+  fill: var(--jp-notebook-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-lab-test::before{
-  content:""; }
+.jp-json-icon-color[fill] {
+  fill: var(--jp-json-icon-color, var(--jp-warn-color1));
+}
 
-.bp3-icon-label::before{
-  content:""; }
+.jp-console-icon-color[fill] {
+  fill: var(--jp-console-icon-color, white);
+}
 
-.bp3-icon-layer::before{
-  content:""; }
+.jp-console-icon-background-color[fill] {
+  fill: var(--jp-console-icon-background-color, var(--jp-brand-color1));
+}
 
-.bp3-icon-layers::before{
-  content:""; }
+.jp-terminal-icon-color[fill] {
+  fill: var(--jp-terminal-icon-color, var(--jp-layout-color2));
+}
 
-.bp3-icon-layout::before{
-  content:""; }
+.jp-terminal-icon-background-color[fill] {
+  fill: var(
+    --jp-terminal-icon-background-color,
+    var(--jp-inverse-layout-color2)
+  );
+}
 
-.bp3-icon-layout-auto::before{
-  content:""; }
+.jp-text-editor-icon-color[fill] {
+  fill: var(--jp-text-editor-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-balloon::before{
-  content:""; }
+.jp-inspector-icon-color[fill] {
+  fill: var(--jp-inspector-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-circle::before{
-  content:""; }
+/* CSS for icons in selected filebrowser listing items */
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-layout-grid::before{
-  content:""; }
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-layout-group-by::before{
-  content:""; }
+/* stylelint-disable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-hierarchy::before{
-  content:""; }
+/**
+* TODO: come up with non css-hack solution for showing the busy icon on top
+*  of the close icon
+* CSS for complex behavior of close icon of tabs in the main area tabbar
+*/
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon3[fill] {
+  fill: none;
+}
 
-.bp3-icon-layout-linear::before{
-  content:""; }
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon-busy[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-layout-skew-grid::before{
-  content:""; }
+/* stylelint-enable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-sorted-clusters::before{
-  content:""; }
+/* CSS for icons in status bar */
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-learning::before{
-  content:""; }
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-left-join::before{
-  content:""; }
+/* special handling for splash icon CSS. While the theme CSS reloads during
+   splash, the splash icon can loose theming. To prevent that, we set a
+   default for its color variable */
+:root {
+  --jp-warn-color0: var(--md-orange-700);
+}
 
-.bp3-icon-less-than::before{
-  content:""; }
+/* not sure what to do with this one, used in filebrowser listing */
+.jp-DragIcon {
+  margin-right: 4px;
+}
 
-.bp3-icon-less-than-or-equal-to::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-lifesaver::before{
-  content:""; }
+/**
+ * Support for alt colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-lightbulb::before{
-  content:""; }
+/* alt recolor the primary elements of an icon */
+.jp-icon-alt .jp-icon0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-link::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-list::before{
-  content:"☰"; }
+.jp-icon-alt .jp-icon2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-list-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-list-detail-view::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-locate::before{
-  content:""; }
+.jp-icon-alt .jp-icon0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-lock::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-log-in::before{
-  content:""; }
+.jp-icon-alt .jp-icon2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-log-out::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-manual::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-manually-entered-data::before{
-  content:""; }
+/* alt recolor the accent elements of an icon */
+.jp-icon-alt .jp-icon-accent0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-map::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-map-create::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-map-marker::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-maximize::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-media::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-menu::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-menu-closed::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-menu-open::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-merge-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-merge-links::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-minimize::before{
-  content:""; }
+.jp-icon-hoverShow:not(:hover) .jp-icon-hoverShow-content {
+  display: none !important;
+}
 
-.bp3-icon-minus::before{
-  content:"−"; }
+/**
+ * Support for hover colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-mobile-phone::before{
-  content:""; }
+/**
+ * regular colors
+ */
 
-.bp3-icon-mobile-video::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon-hover :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-moon::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-more::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-mountain::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-move::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-mugshot::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-multi-select::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-music::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-new-drawing::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-new-grid-item::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-new-layer::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-layers::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-new-link::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-new-object::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-new-person::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-new-prescription::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-text-box::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-ninja::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-not-equal-to::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-notifications::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-notifications-updated::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-hover :hover .jp-icon-none-hover[fill] {
+  fill: none;
+}
 
-.bp3-icon-numbered-list::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-numerical::before{
-  content:""; }
+/**
+ * inverse colors
+ */
 
-.bp3-icon-office::before{
-  content:""; }
+/* inverse recolor the primary elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-offline::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-oil-field::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-one-column::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-outdated::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-page-layout::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-panel-stats::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-panel-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-paperclip::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-paragraph::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-path::before{
-  content:""; }
+/* inverse recolor the accent elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-path-search::before{
-  content:""; }
-
-.bp3-icon-pause::before{
-  content:""; }
-
-.bp3-icon-people::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-percentage::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-person::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-phone::before{
-  content:"☎"; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-pie-chart::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-pin::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-pivot::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-pivot-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-play::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-plus::before{
-  content:"+"; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-polygon-filter::before{
-  content:""; }
+.jp-IFrame {
+  width: 100%;
+  height: 100%;
+}
 
-.bp3-icon-power::before{
-  content:""; }
+.jp-IFrame > iframe {
+  border: none;
+}
 
-.bp3-icon-predictive-analysis::before{
-  content:""; }
+/*
+When drag events occur, `lm-mod-override-cursor` is added to the body.
+Because iframes steal all cursor events, the following two rules are necessary
+to suppress pointer events while resize drags are occurring. There may be a
+better solution to this problem.
+*/
+body.lm-mod-override-cursor .jp-IFrame {
+  position: relative;
+}
 
-.bp3-icon-prescription::before{
-  content:""; }
+body.lm-mod-override-cursor .jp-IFrame::before {
+  content: '';
+  position: absolute;
+  top: 0;
+  left: 0;
+  right: 0;
+  bottom: 0;
+  background: transparent;
+}
 
-.bp3-icon-presentation::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-print::before{
-  content:"⎙"; }
+.jp-HoverBox {
+  position: fixed;
+}
 
-.bp3-icon-projects::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-properties::before{
-  content:""; }
+.jp-FormGroup-content fieldset {
+  border: none;
+  padding: 0;
+  min-width: 0;
+  width: 100%;
+}
 
-.bp3-icon-property::before{
-  content:""; }
+/* stylelint-disable selector-max-type */
 
-.bp3-icon-publish-function::before{
-  content:""; }
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper input,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper select,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper textarea {
+  font-size: var(--jp-content-font-size2);
+  border-color: var(--jp-input-border-color);
+  border-style: solid;
+  border-radius: var(--jp-border-radius);
+  border-width: 1px;
+  padding: 6px 8px;
+  background: none;
+  color: var(--jp-ui-font-color0);
+  height: inherit;
+}
 
-.bp3-icon-pulse::before{
-  content:""; }
+.jp-FormGroup-content fieldset input[type='checkbox'] {
+  position: relative;
+  top: 2px;
+  margin-left: 0;
+}
 
-.bp3-icon-random::before{
-  content:""; }
+.jp-FormGroup-content button.jp-mod-styled {
+  cursor: pointer;
+}
 
-.bp3-icon-record::before{
-  content:""; }
+.jp-FormGroup-content .checkbox label {
+  cursor: pointer;
+  font-size: var(--jp-content-font-size1);
+}
 
-.bp3-icon-redo::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > legend {
+  display: none;
+}
 
-.bp3-icon-refresh::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > p {
+  display: none;
+}
 
-.bp3-icon-regression-chart::before{
-  content:""; }
+/** copy of `input.jp-mod-styled:focus` style */
+.jp-FormGroup-content fieldset input:focus,
+.jp-FormGroup-content fieldset select:focus {
+  -moz-outline-radius: unset;
+  outline: var(--jp-border-width) solid var(--md-blue-500);
+  outline-offset: -1px;
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-remove::before{
-  content:""; }
+.jp-FormGroup-content fieldset input:hover:not(:focus),
+.jp-FormGroup-content fieldset select:hover:not(:focus) {
+  background-color: var(--jp-border-color2);
+}
 
-.bp3-icon-remove-column::before{
-  content:""; }
+/* stylelint-enable selector-max-type */
 
-.bp3-icon-remove-column-left::before{
-  content:""; }
+.jp-FormGroup-content .checkbox .field-description {
+  /* Disable default description field for checkbox:
+   because other widgets do not have description fields,
+   we add descriptions to each widget on the field level.
+  */
+  display: none;
+}
 
-.bp3-icon-remove-column-right::before{
-  content:""; }
+.jp-FormGroup-content #root__description {
+  display: none;
+}
 
-.bp3-icon-remove-row-bottom::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator {
+  width: 5px;
+  background-color: var(--jp-brand-color2);
+  margin-top: 0;
+  margin-left: calc(var(--jp-private-settingeditor-modifier-indent) * -1);
+  flex-shrink: 0;
+}
 
-.bp3-icon-remove-row-top::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator.jp-errorIndicator {
+  background-color: var(--jp-error-color0);
+  margin-right: 0.5em;
+}
 
-.bp3-icon-repeat::before{
-  content:""; }
+/* RJSF ARRAY style */
 
-.bp3-icon-reset::before{
-  content:""; }
+.jp-arrayFieldWrapper legend {
+  font-size: var(--jp-content-font-size2);
+  color: var(--jp-ui-font-color0);
+  flex-basis: 100%;
+  padding: 4px 0;
+  font-weight: var(--jp-content-heading-font-weight);
+  border-bottom: 1px solid var(--jp-border-color2);
+}
 
-.bp3-icon-resolve::before{
-  content:""; }
+.jp-arrayFieldWrapper .field-description {
+  padding: 4px 0;
+  white-space: pre-wrap;
+}
 
-.bp3-icon-rig::before{
-  content:""; }
+.jp-arrayFieldWrapper .array-item {
+  width: 100%;
+  border: 1px solid var(--jp-border-color2);
+  border-radius: 4px;
+  margin: 4px;
+}
 
-.bp3-icon-right-join::before{
-  content:""; }
+.jp-ArrayOperations {
+  display: flex;
+  margin-left: 8px;
+}
 
-.bp3-icon-ring::before{
-  content:""; }
+.jp-ArrayOperationsButton {
+  margin: 2px;
+}
 
-.bp3-icon-rotate-document::before{
-  content:""; }
+.jp-ArrayOperationsButton .jp-icon3[fill] {
+  fill: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-rotate-page::before{
-  content:""; }
+button.jp-ArrayOperationsButton.jp-mod-styled:disabled {
+  cursor: not-allowed;
+  opacity: 0.5;
+}
 
-.bp3-icon-satellite::before{
-  content:""; }
+/* RJSF form validation error */
 
-.bp3-icon-saved::before{
-  content:""; }
+.jp-FormGroup-content .validationErrors {
+  color: var(--jp-error-color0);
+}
 
-.bp3-icon-scatter-plot::before{
-  content:""; }
+/* Hide panel level error as duplicated the field level error */
+.jp-FormGroup-content .panel.errors {
+  display: none;
+}
 
-.bp3-icon-search::before{
-  content:""; }
+/* RJSF normal content (settings-editor) */
 
-.bp3-icon-search-around::before{
-  content:""; }
+.jp-FormGroup-contentNormal {
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-search-template::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-contentItem {
+  margin-left: 7px;
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-search-text::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-description {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-segmented-control::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-default {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-select::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-fieldLabel {
+  font-size: var(--jp-content-font-size1);
+  font-weight: normal;
+  min-width: 120px;
+}
 
-.bp3-icon-selection::before{
-  content:"⦿"; }
+.jp-FormGroup-contentNormal fieldset:not(:first-child) {
+  margin-left: 7px;
+}
 
-.bp3-icon-send-to::before{
-  content:""; }
+.jp-FormGroup-contentNormal .field-array-of-string .array-item {
+  /* Display `jp-ArrayOperations` buttons side-by-side with content except
+    for small screens where flex-wrap will place them one below the other.
+  */
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-send-to-graph::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-objectFieldWrapper .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-send-to-map::before{
-  content:""; }
+/* RJSF compact content (metadata-form) */
 
-.bp3-icon-series-add::before{
-  content:""; }
+.jp-FormGroup-content.jp-FormGroup-contentCompact {
+  width: 100%;
+}
 
-.bp3-icon-series-configuration::before{
-  content:""; }
+.jp-FormGroup-contentCompact .form-group {
+  display: flex;
+  padding: 0.5em 0.2em 0.5em 0;
+}
 
-.bp3-icon-series-derived::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-FormGroup-compactTitle
+  .jp-FormGroup-description {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-series-filtered::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-FormGroup-fieldLabel {
+  padding-bottom: 0.3em;
+}
 
-.bp3-icon-series-search::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-inputFieldWrapper .form-control {
+  width: 100%;
+  box-sizing: border-box;
+}
 
-.bp3-icon-settings::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-arrayFieldWrapper .jp-FormGroup-compactTitle {
+  padding-bottom: 7px;
+}
 
-.bp3-icon-share::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-objectFieldWrapper
+  .jp-objectFieldWrapper
+  .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-shield::before{
-  content:""; }
+.jp-FormGroup-contentCompact ul.error-detail {
+  margin-block-start: 0.5em;
+  margin-block-end: 0.5em;
+  padding-inline-start: 1em;
+}
 
-.bp3-icon-shop::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-.bp3-icon-shopping-cart::before{
-  content:""; }
+.jp-SidePanel {
+  display: flex;
+  flex-direction: column;
+  min-width: var(--jp-sidebar-min-width);
+  overflow-y: auto;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+  font-size: var(--jp-ui-font-size1);
+}
 
-.bp3-icon-signal-search::before{
-  content:""; }
+.jp-SidePanel-header {
+  flex: 0 0 auto;
+  display: flex;
+  border-bottom: var(--jp-border-width) solid var(--jp-border-color2);
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin: 0;
+  padding: 2px;
+  text-transform: uppercase;
+}
 
-.bp3-icon-sim-card::before{
-  content:""; }
+.jp-SidePanel-toolbar {
+  flex: 0 0 auto;
+}
 
-.bp3-icon-slash::before{
-  content:""; }
+.jp-SidePanel-content {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-small-cross::before{
-  content:""; }
+.jp-SidePanel-toolbar,
+.jp-AccordionPanel-toolbar {
+  height: var(--jp-private-toolbar-height);
+}
 
-.bp3-icon-small-minus::before{
-  content:""; }
+.jp-SidePanel-toolbar.jp-Toolbar-micro {
+  display: none;
+}
 
-.bp3-icon-small-plus::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-title {
+  box-sizing: border-box;
+  line-height: 25px;
+  margin: 0;
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  font-size: var(--jp-ui-font-size0);
+}
 
-.bp3-icon-small-tick::before{
-  content:""; }
+.jp-AccordionPanel-title {
+  cursor: pointer;
+  user-select: none;
+  -moz-user-select: none;
+  -webkit-user-select: none;
+  text-transform: uppercase;
+}
 
-.bp3-icon-snowflake::before{
-  content:""; }
+.lm-AccordionPanel[data-orientation='horizontal'] > .jp-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
 
-.bp3-icon-social-media::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleLabel {
+  user-select: none;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+  overflow: hidden;
+}
 
-.bp3-icon-sort::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleCollapser {
+  transform: rotate(-90deg);
+  margin: auto 0;
+  height: 16px;
+}
 
-.bp3-icon-sort-alphabetical::before{
-  content:""; }
+.jp-AccordionPanel-title.lm-mod-expanded .lm-AccordionPanel-titleCollapser {
+  transform: rotate(0deg);
+}
 
-.bp3-icon-sort-alphabetical-desc::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-toolbar {
+  background: none;
+  box-shadow: none;
+  border: none;
+  margin-left: auto;
+}
 
-.bp3-icon-sort-asc::before{
-  content:""; }
+.lm-AccordionPanel .lm-SplitPanel-handle:hover {
+  background: var(--jp-layout-color3);
+}
 
-.bp3-icon-sort-desc::before{
-  content:""; }
+.jp-text-truncated {
+  overflow: hidden;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+}
 
-.bp3-icon-sort-numerical::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-sort-numerical-desc::before{
-  content:""; }
+.jp-Spinner {
+  position: absolute;
+  display: flex;
+  justify-content: center;
+  align-items: center;
+  z-index: 10;
+  left: 0;
+  top: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-layout-color0);
+  outline: none;
+}
 
-.bp3-icon-split-columns::before{
-  content:""; }
+.jp-SpinnerContent {
+  font-size: 10px;
+  margin: 50px auto;
+  text-indent: -9999em;
+  width: 3em;
+  height: 3em;
+  border-radius: 50%;
+  background: var(--jp-brand-color3);
+  background: linear-gradient(
+    to right,
+    #f37626 10%,
+    rgba(255, 255, 255, 0) 42%
+  );
+  position: relative;
+  animation: load3 1s infinite linear, fadeIn 1s;
+}
 
-.bp3-icon-square::before{
-  content:""; }
+.jp-SpinnerContent::before {
+  width: 50%;
+  height: 50%;
+  background: #f37626;
+  border-radius: 100% 0 0;
+  position: absolute;
+  top: 0;
+  left: 0;
+  content: '';
+}
 
-.bp3-icon-stacked-chart::before{
-  content:""; }
-
-.bp3-icon-star::before{
-  content:"★"; }
+.jp-SpinnerContent::after {
+  background: var(--jp-layout-color0);
+  width: 75%;
+  height: 75%;
+  border-radius: 50%;
+  content: '';
+  margin: auto;
+  position: absolute;
+  top: 0;
+  left: 0;
+  bottom: 0;
+  right: 0;
+}
 
-.bp3-icon-star-empty::before{
-  content:"☆"; }
+@keyframes fadeIn {
+  0% {
+    opacity: 0;
+  }
 
-.bp3-icon-step-backward::before{
-  content:""; }
+  100% {
+    opacity: 1;
+  }
+}
 
-.bp3-icon-step-chart::before{
-  content:""; }
+@keyframes load3 {
+  0% {
+    transform: rotate(0deg);
+  }
 
-.bp3-icon-step-forward::before{
-  content:""; }
+  100% {
+    transform: rotate(360deg);
+  }
+}
 
-.bp3-icon-stop::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-stopwatch::before{
-  content:""; }
+button.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: none;
+  box-sizing: border-box;
+  text-align: center;
+  line-height: 32px;
+  height: 32px;
+  padding: 0 12px;
+  letter-spacing: 0.8px;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-strikethrough::before{
-  content:""; }
+input.jp-mod-styled {
+  background: var(--jp-input-background);
+  height: 28px;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+  padding-left: 7px;
+  padding-right: 7px;
+  font-size: var(--jp-ui-font-size2);
+  color: var(--jp-ui-font-color0);
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-style::before{
-  content:""; }
+input[type='checkbox'].jp-mod-styled {
+  appearance: checkbox;
+  -webkit-appearance: checkbox;
+  -moz-appearance: checkbox;
+  height: auto;
+}
 
-.bp3-icon-swap-horizontal::before{
-  content:""; }
+input.jp-mod-styled:focus {
+  border: var(--jp-border-width) solid var(--md-blue-500);
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-swap-vertical::before{
-  content:""; }
+.jp-select-wrapper {
+  display: flex;
+  position: relative;
+  flex-direction: column;
+  padding: 1px;
+  background-color: var(--jp-layout-color1);
+  box-sizing: border-box;
+  margin-bottom: 12px;
+}
 
-.bp3-icon-symbol-circle::before{
-  content:""; }
+.jp-select-wrapper:not(.multiple) {
+  height: 28px;
+}
 
-.bp3-icon-symbol-cross::before{
-  content:""; }
+.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
+  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
+  box-shadow: var(--jp-input-box-shadow);
+  background-color: var(--jp-input-active-background);
+}
 
-.bp3-icon-symbol-diamond::before{
-  content:""; }
+select.jp-mod-styled:hover {
+  cursor: pointer;
+  color: var(--jp-ui-font-color0);
+  background-color: var(--jp-input-hover-background);
+  box-shadow: inset 0 0 1px rgba(0, 0, 0, 0.5);
+}
 
-.bp3-icon-symbol-square::before{
-  content:""; }
+select.jp-mod-styled {
+  flex: 1 1 auto;
+  width: 100%;
+  font-size: var(--jp-ui-font-size2);
+  background: var(--jp-input-background);
+  color: var(--jp-ui-font-color0);
+  padding: 0 25px 0 8px;
+  border: var(--jp-border-width) solid var(--jp-input-border-color);
+  border-radius: 0;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-symbol-triangle-down::before{
-  content:""; }
+select.jp-mod-styled:not([multiple]) {
+  height: 32px;
+}
 
-.bp3-icon-symbol-triangle-up::before{
-  content:""; }
+select.jp-mod-styled[multiple] {
+  max-height: 200px;
+  overflow-y: auto;
+}
 
-.bp3-icon-tag::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-take-action::before{
-  content:""; }
+.jp-switch {
+  display: flex;
+  align-items: center;
+  padding-left: 4px;
+  padding-right: 4px;
+  font-size: var(--jp-ui-font-size1);
+  background-color: transparent;
+  color: var(--jp-ui-font-color1);
+  border: none;
+  height: 20px;
+}
 
-.bp3-icon-taxi::before{
-  content:""; }
+.jp-switch:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-text-highlight::before{
-  content:""; }
+.jp-switch-label {
+  margin-right: 5px;
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-th::before{
-  content:""; }
+.jp-switch-track {
+  cursor: pointer;
+  background-color: var(--jp-switch-color, var(--jp-border-color1));
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 34px;
+  height: 16px;
+  width: 35px;
+  position: relative;
+}
 
-.bp3-icon-th-derived::before{
-  content:""; }
+.jp-switch-track::before {
+  content: '';
+  position: absolute;
+  height: 10px;
+  width: 10px;
+  margin: 3px;
+  left: 0;
+  background-color: var(--jp-ui-inverse-font-color1);
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 50%;
+}
 
-.bp3-icon-th-disconnect::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track {
+  background-color: var(--jp-switch-true-position-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-th-filtered::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track::before {
+  /* track width (35) - margins (3 + 3) - thumb width (10) */
+  left: 19px;
+}
 
-.bp3-icon-th-list::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-thumbs-down::before{
-  content:""; }
+:root {
+  --jp-private-toolbar-height: calc(
+    28px + var(--jp-border-width)
+  ); /* leave 28px for content */
+}
 
-.bp3-icon-thumbs-up::before{
-  content:""; }
+.jp-Toolbar {
+  color: var(--jp-ui-font-color1);
+  flex: 0 0 auto;
+  display: flex;
+  flex-direction: row;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: 2px;
+  z-index: 8;
+  overflow-x: hidden;
+}
 
-.bp3-icon-tick::before{
-  content:"✓"; }
+/* Toolbar items */
 
-.bp3-icon-tick-circle::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
+  flex-grow: 1;
+  flex-shrink: 1;
+}
 
-.bp3-icon-time::before{
-  content:"⏲"; }
+.jp-Toolbar-item.jp-Toolbar-kernelStatus {
+  display: inline-block;
+  width: 32px;
+  background-repeat: no-repeat;
+  background-position: center;
+  background-size: 16px;
+}
 
-.bp3-icon-timeline-area-chart::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item {
+  flex: 0 0 auto;
+  display: flex;
+  padding-left: 1px;
+  padding-right: 1px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: var(--jp-private-toolbar-height);
+  height: 100%;
+}
 
-.bp3-icon-timeline-bar-chart::before{
-  content:""; }
+/* Toolbar buttons */
 
-.bp3-icon-timeline-events::before{
-  content:""; }
+/* This is the div we use to wrap the react component into a Widget */
+div.jp-ToolbarButton {
+  color: transparent;
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0;
+  margin: 0;
+}
 
-.bp3-icon-timeline-line-chart::before{
-  content:""; }
+button.jp-ToolbarButtonComponent {
+  background: var(--jp-layout-color1);
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0 6px;
+  margin: 0;
+  height: 24px;
+  border-radius: var(--jp-border-radius);
+  display: flex;
+  align-items: center;
+  text-align: center;
+  font-size: 14px;
+  min-width: unset;
+  min-height: unset;
+}
 
-.bp3-icon-tint::before{
-  content:""; }
+button.jp-ToolbarButtonComponent:disabled {
+  opacity: 0.4;
+}
 
-.bp3-icon-torch::before{
-  content:""; }
+button.jp-ToolbarButtonComponent > span {
+  padding: 0;
+  flex: 0 0 auto;
+}
 
-.bp3-icon-tractor::before{
-  content:""; }
+button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
+  font-size: var(--jp-ui-font-size1);
+  line-height: 100%;
+  padding-left: 2px;
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-train::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar.jp-Toolbar-micro {
+  padding: 0;
+  min-height: 0;
+}
 
-.bp3-icon-translate::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar {
+  border: none;
+  box-shadow: none;
+}
 
-.bp3-icon-trash::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-WindowedPanel-outer {
+  position: relative;
+  overflow-y: auto;
+}
+
+.jp-WindowedPanel-inner {
+  position: relative;
+}
+
+.jp-WindowedPanel-window {
+  position: absolute;
+  left: 0;
+  right: 0;
+  overflow: visible;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/* Sibling imports */
+
+body {
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+}
+
+/* Disable native link decoration styles everywhere outside of dialog boxes */
+a {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-tree::before{
-  content:""; }
+a:hover {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-trending-down::before{
-  content:""; }
+/* Accessibility for links inside dialog box text */
+.jp-Dialog-content a {
+  text-decoration: revert;
+  color: var(--jp-content-link-color);
+}
 
-.bp3-icon-trending-up::before{
-  content:""; }
+.jp-Dialog-content a:hover {
+  text-decoration: revert;
+}
 
-.bp3-icon-truck::before{
-  content:""; }
+/* Styles for ui-components */
+.jp-Button {
+  color: var(--jp-ui-font-color2);
+  border-radius: var(--jp-border-radius);
+  padding: 0 12px;
+  font-size: var(--jp-ui-font-size1);
 
-.bp3-icon-two-columns::before{
-  content:""; }
+  /* Copy from blueprint 3 */
+  display: inline-flex;
+  flex-direction: row;
+  border: none;
+  cursor: pointer;
+  align-items: center;
+  justify-content: center;
+  text-align: left;
+  vertical-align: middle;
+  min-height: 30px;
+  min-width: 30px;
+}
 
-.bp3-icon-unarchive::before{
-  content:""; }
+.jp-Button:disabled {
+  cursor: not-allowed;
+}
 
-.bp3-icon-underline::before{
-  content:"⎁"; }
+.jp-Button:empty {
+  padding: 0 !important;
+}
 
-.bp3-icon-undo::before{
-  content:"⎌"; }
+.jp-Button.jp-mod-small {
+  min-height: 24px;
+  min-width: 24px;
+  font-size: 12px;
+  padding: 0 7px;
+}
 
-.bp3-icon-ungroup-objects::before{
-  content:""; }
+/* Use our own theme for hover styles */
+.jp-Button.jp-mod-minimal:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-unknown-vehicle::before{
-  content:""; }
+.jp-Button.jp-mod-minimal {
+  background: none;
+}
 
-.bp3-icon-unlock::before{
-  content:""; }
+.jp-InputGroup {
+  display: block;
+  position: relative;
+}
 
-.bp3-icon-unpin::before{
-  content:""; }
+.jp-InputGroup input {
+  box-sizing: border-box;
+  border: none;
+  border-radius: 0;
+  background-color: transparent;
+  color: var(--jp-ui-font-color0);
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
+  padding-bottom: 0;
+  padding-top: 0;
+  padding-left: 10px;
+  padding-right: 28px;
+  position: relative;
+  width: 100%;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  appearance: none;
+  font-size: 14px;
+  font-weight: 400;
+  height: 30px;
+  line-height: 30px;
+  outline: none;
+  vertical-align: middle;
+}
 
-.bp3-icon-unresolve::before{
-  content:""; }
+.jp-InputGroup input:focus {
+  box-shadow: inset 0 0 0 var(--jp-border-width)
+      var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
+}
 
-.bp3-icon-updated::before{
-  content:""; }
+.jp-InputGroup input:disabled {
+  cursor: not-allowed;
+  resize: block;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-upload::before{
-  content:""; }
+.jp-InputGroup input:disabled ~ span {
+  cursor: not-allowed;
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-user::before{
-  content:""; }
+.jp-InputGroup input::placeholder,
+input::placeholder {
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-variable::before{
-  content:""; }
+.jp-InputGroupAction {
+  position: absolute;
+  bottom: 1px;
+  right: 0;
+  padding: 6px;
+}
 
-.bp3-icon-vertical-bar-chart-asc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select {
+  background-color: initial;
+  border: none;
+  border-radius: 0;
+  box-shadow: none;
+  color: var(--jp-ui-font-color0);
+  display: block;
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  height: 24px;
+  line-height: 14px;
+  padding: 0 25px 0 10px;
+  text-align: left;
+  -moz-appearance: none;
+  -webkit-appearance: none;
+}
 
-.bp3-icon-vertical-bar-chart-desc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+  cursor: not-allowed;
+  resize: block;
+}
 
-.bp3-icon-vertical-distribution::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled ~ span {
+  cursor: not-allowed;
+}
 
-.bp3-icon-video::before{
-  content:""; }
+/* Use our own theme for hover and option styles */
+/* stylelint-disable-next-line selector-max-type */
+.jp-HTMLSelect.jp-DefaultStyle select:hover,
+.jp-HTMLSelect.jp-DefaultStyle select > option {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-volume-down::before{
-  content:""; }
+select {
+  box-sizing: border-box;
+}
 
-.bp3-icon-volume-off::before{
-  content:""; }
-
-.bp3-icon-volume-up::before{
-  content:""; }
-
-.bp3-icon-walk::before{
-  content:""; }
-
-.bp3-icon-warning-sign::before{
-  content:""; }
-
-.bp3-icon-waterfall-chart::before{
-  content:""; }
-
-.bp3-icon-widget::before{
-  content:""; }
-
-.bp3-icon-widget-button::before{
-  content:""; }
-
-.bp3-icon-widget-footer::before{
-  content:""; }
-
-.bp3-icon-widget-header::before{
-  content:""; }
-
-.bp3-icon-wrench::before{
-  content:""; }
-
-.bp3-icon-zoom-in::before{
-  content:""; }
-
-.bp3-icon-zoom-out::before{
-  content:""; }
-
-.bp3-icon-zoom-to-fit::before{
-  content:""; }
-.bp3-submenu > .bp3-popover-wrapper{
-  display:block; }
-
-.bp3-submenu .bp3-popover-target{
-  display:block; }
-  .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{ }
-
-.bp3-submenu.bp3-popover{
-  -webkit-box-shadow:none;
-          box-shadow:none;
-  padding:0 5px; }
-  .bp3-submenu.bp3-popover > .bp3-popover-content{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-submenu.bp3-popover, .bp3-submenu.bp3-popover.bp3-dark{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-dark .bp3-submenu.bp3-popover > .bp3-popover-content, .bp3-submenu.bp3-popover.bp3-dark > .bp3-popover-content{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4); }
-.bp3-menu{
-  background:#ffffff;
-  border-radius:3px;
-  color:#182026;
-  list-style:none;
-  margin:0;
-  min-width:180px;
-  padding:5px;
-  text-align:left; }
-
-.bp3-menu-divider{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px; }
-  .bp3-dark .bp3-menu-divider{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-
-.bp3-menu-item{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:start;
-      -ms-flex-align:start;
-          align-items:flex-start;
-  border-radius:2px;
-  color:inherit;
-  line-height:20px;
-  padding:5px 7px;
-  text-decoration:none;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-menu-item > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-menu-item > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > *{
-    margin-right:7px; }
-  .bp3-menu-item:empty::before,
-  .bp3-menu-item > :last-child{
-    margin-right:0; }
-  .bp3-menu-item > .bp3-fill{
-    word-break:break-word; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    background-color:rgba(167, 182, 194, 0.3);
-    cursor:pointer;
-    text-decoration:none; }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-dark .bp3-menu-item{
-    color:inherit; }
-    .bp3-dark .bp3-menu-item:hover, .bp3-dark .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item, .bp3-submenu .bp3-dark .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-      background-color:rgba(138, 155, 168, 0.15);
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-disabled{
-      background-color:inherit;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-menu-item.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-primary::before, .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary.bp3-active{
-      background-color:#137cbd; }
-    .bp3-menu-item.bp3-intent-primary:active{
-      background-color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::before, .bp3-menu-item.bp3-intent-primary:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-primary:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary:active, .bp3-menu-item.bp3-intent-primary:active::before, .bp3-menu-item.bp3-intent-primary:active::after,
-    .bp3-menu-item.bp3-intent-primary:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary.bp3-active, .bp3-menu-item.bp3-intent-primary.bp3-active::before, .bp3-menu-item.bp3-intent-primary.bp3-active::after,
-    .bp3-menu-item.bp3-intent-primary.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-success::before, .bp3-menu-item.bp3-intent-success::after,
-    .bp3-menu-item.bp3-intent-success .bp3-menu-item-label{
-      color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success.bp3-active{
-      background-color:#0f9960; }
-    .bp3-menu-item.bp3-intent-success:active{
-      background-color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::before, .bp3-menu-item.bp3-intent-success:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-success:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success:active, .bp3-menu-item.bp3-intent-success:active::before, .bp3-menu-item.bp3-intent-success:active::after,
-    .bp3-menu-item.bp3-intent-success:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success.bp3-active, .bp3-menu-item.bp3-intent-success.bp3-active::before, .bp3-menu-item.bp3-intent-success.bp3-active::after,
-    .bp3-menu-item.bp3-intent-success.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-warning::before, .bp3-menu-item.bp3-intent-warning::after,
-    .bp3-menu-item.bp3-intent-warning .bp3-menu-item-label{
-      color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning.bp3-active{
-      background-color:#d9822b; }
-    .bp3-menu-item.bp3-intent-warning:active{
-      background-color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::before, .bp3-menu-item.bp3-intent-warning:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-warning:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning:active, .bp3-menu-item.bp3-intent-warning:active::before, .bp3-menu-item.bp3-intent-warning:active::after,
-    .bp3-menu-item.bp3-intent-warning:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning.bp3-active, .bp3-menu-item.bp3-intent-warning.bp3-active::before, .bp3-menu-item.bp3-intent-warning.bp3-active::after,
-    .bp3-menu-item.bp3-intent-warning.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-danger{
-    color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-danger::before, .bp3-menu-item.bp3-intent-danger::after,
-    .bp3-menu-item.bp3-intent-danger .bp3-menu-item-label{
-      color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger.bp3-active{
-      background-color:#db3737; }
-    .bp3-menu-item.bp3-intent-danger:active{
-      background-color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::before, .bp3-menu-item.bp3-intent-danger:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-danger:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-danger:active, .bp3-menu-item.bp3-intent-danger:active::before, .bp3-menu-item.bp3-intent-danger:active::after,
-    .bp3-menu-item.bp3-intent-danger:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-danger.bp3-active, .bp3-menu-item.bp3-intent-danger.bp3-active::before, .bp3-menu-item.bp3-intent-danger.bp3-active::after,
-    .bp3-menu-item.bp3-intent-danger.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    margin-right:7px; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > .bp3-icon{
-    color:#5c7080;
-    margin-top:2px; }
-  .bp3-menu-item .bp3-menu-item-label{
-    color:#5c7080; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    color:inherit; }
-  .bp3-menu-item.bp3-active, .bp3-menu-item:active{
-    background-color:rgba(115, 134, 148, 0.3); }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit !important;
-    color:rgba(92, 112, 128, 0.6) !important;
-    cursor:not-allowed !important;
-    outline:none !important; }
-    .bp3-menu-item.bp3-disabled::before,
-    .bp3-menu-item.bp3-disabled > .bp3-icon,
-    .bp3-menu-item.bp3-disabled .bp3-menu-item-label{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-large .bp3-menu-item{
-    font-size:16px;
-    line-height:22px;
-    padding:9px 7px; }
-    .bp3-large .bp3-menu-item .bp3-icon{
-      margin-top:3px; }
-    .bp3-large .bp3-menu-item::before{
-      font-family:"Icons20", sans-serif;
-      font-size:20px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased;
-      margin-right:10px;
-      margin-top:1px; }
-
-button.bp3-menu-item{
-  background:none;
-  border:none;
-  text-align:left;
-  width:100%; }
-.bp3-menu-header{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px;
-  cursor:default;
-  padding-left:2px; }
-  .bp3-dark .bp3-menu-header{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-  .bp3-menu-header:first-of-type{
-    border-top:none; }
-  .bp3-menu-header > h6{
-    color:#182026;
-    font-weight:600;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    line-height:17px;
-    margin:0;
-    padding:10px 7px 0 1px; }
-    .bp3-dark .bp3-menu-header > h6{
-      color:#f5f8fa; }
-  .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-  .bp3-large .bp3-menu-header > h6{
-    font-size:18px;
-    padding-bottom:5px;
-    padding-top:15px; }
-  .bp3-large .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-
-.bp3-dark .bp3-menu{
-  background:#30404d;
-  color:#f5f8fa; }
-
-.bp3-dark .bp3-menu-item{ }
-  .bp3-dark .bp3-menu-item.bp3-intent-primary{
-    color:#48aff0; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary::before, .bp3-dark .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#48aff0; }
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-      background-color:#137cbd; }
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-      background-color:#106ba3; }
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-    color:#3dcc91; }
-    .bp3-dark .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
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-      color:#3dcc91; }
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-      background-color:#0f9960; }
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-.bp3-progress-bar{
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-.bp3-progress-bar.bp3-intent-primary .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-success .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-warning .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-danger .bp3-progress-meter{
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-  to{
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-.bp3-slider-track{
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-.bp3-slider-progress{
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-  .bp3-slider-progress.bp3-intent-primary{
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-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  .bp3-omnibar.bp3-overlay-exit-active{
-    -webkit-filter:blur(20px);
-            filter:blur(20px);
-    opacity:0.2;
-    -webkit-transition-delay:0;
-            transition-delay:0;
-    -webkit-transition-duration:200ms;
-            transition-duration:200ms;
-    -webkit-transition-property:opacity, -webkit-filter;
-    transition-property:opacity, -webkit-filter;
-    transition-property:filter, opacity;
-    transition-property:filter, opacity, -webkit-filter;
-    -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-            transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-omnibar .bp3-input{
-    background-color:transparent;
-    border-radius:0; }
-    .bp3-omnibar .bp3-input, .bp3-omnibar .bp3-input:focus{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-omnibar .bp3-menu{
-    background-color:transparent;
-    border-radius:0;
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-    max-height:calc(60vh - 40px);
-    overflow:auto; }
-    .bp3-omnibar .bp3-menu:empty{
-      display:none; }
-  .bp3-dark .bp3-omnibar, .bp3-omnibar.bp3-dark{
-    background-color:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4); }
-
-.bp3-omnibar-overlay .bp3-overlay-backdrop{
-  background-color:rgba(16, 22, 26, 0.2); }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
-
-.bp3-multi-select{
-  min-width:150px; }
-
-.bp3-multi-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto; }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
-
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
 
-/* Icons urls */
+.jp-StatusBar-Widget {
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color2);
+  min-height: var(--jp-statusbar-height);
+  justify-content: space-between;
+  padding: 0 10px;
+}
 
-:root {
-  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-bug: url(data:image/svg+xml;base64,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);
-  --jp-icon-build: url(data:image/svg+xml;base64,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);
-  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
-  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTYuMTdMNC44MyAxMmwtMS40MiAxLjQxTDkgMTkgMjEgN2wtMS40MS0xLjQxeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-regex: url(data:image/svg+xml;base64,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);
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-  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-search: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjEsMTAuOWgtMC43bC0wLjItMC4yYzAuOC0wLjksMS4zLTIuMiwxLjMtMy41YzAtMy0yLjQtNS40LTUuNC01LjRTMS44LDQuMiwxLjgsNy4xczIuNCw1LjQsNS40LDUuNCBjMS4zLDAsMi41LTAuNSwzLjUtMS4zbDAuMiwwLjJ2MC43bDQuMSw0LjFsMS4yLTEuMkwxMi4xLDEwLjl6IE03LjEsMTAuOWMtMi4xLDAtMy43LTEuNy0zLjctMy43czEuNy0zLjcsMy43LTMuN3MzLjcsMS43LDMuNywzLjcgUzkuMiwxMC45LDcuMSwxMC45eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-tag: url(data:image/svg+xml;base64,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);
-  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
-  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTUgMTVIM3YyaDEydi0yem0wLThIM3YyaDEyVjd6TTMgMTNoMTh2LTJIM3Yyem0wIDhoMTh2LTJIM3Yyek0zIDN2MmgxOFYzSDN6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-toc: url(data:image/svg+xml;base64,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);
-  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
-  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+.jp-StatusBar-Left {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
 
-/* Icon CSS class declarations */
+.jp-StatusBar-Middle {
+  display: flex;
+  align-items: center;
+}
 
-.jp-AddIcon {
-  background-image: var(--jp-icon-add);
+.jp-StatusBar-Right {
+  display: flex;
+  align-items: center;
+  flex-direction: row-reverse;
 }
-.jp-BugIcon {
-  background-image: var(--jp-icon-bug);
+
+.jp-StatusBar-Item {
+  max-height: var(--jp-statusbar-height);
+  margin: 0 2px;
+  height: var(--jp-statusbar-height);
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  color: var(--jp-ui-font-color1);
+  padding: 0 6px;
 }
-.jp-BuildIcon {
-  background-image: var(--jp-icon-build);
+
+.jp-mod-highlighted:hover {
+  background-color: var(--jp-layout-color3);
 }
-.jp-CaretDownEmptyIcon {
-  background-image: var(--jp-icon-caret-down-empty);
+
+.jp-mod-clicked {
+  background-color: var(--jp-brand-color1);
 }
-.jp-CaretDownEmptyThinIcon {
-  background-image: var(--jp-icon-caret-down-empty-thin);
+
+.jp-mod-clicked:hover {
+  background-color: var(--jp-brand-color0);
 }
-.jp-CaretDownIcon {
-  background-image: var(--jp-icon-caret-down);
+
+.jp-mod-clicked .jp-StatusBar-TextItem {
+  color: var(--jp-ui-inverse-font-color1);
 }
-.jp-CaretLeftIcon {
-  background-image: var(--jp-icon-caret-left);
+
+.jp-StatusBar-HoverItem {
+  box-shadow: '0px 4px 4px rgba(0, 0, 0, 0.25)';
 }
-.jp-CaretRightIcon {
-  background-image: var(--jp-icon-caret-right);
+
+.jp-StatusBar-TextItem {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  line-height: 24px;
+  color: var(--jp-ui-font-color1);
 }
-.jp-CaretUpEmptyThinIcon {
-  background-image: var(--jp-icon-caret-up-empty-thin);
+
+.jp-StatusBar-GroupItem {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
-.jp-CaretUpIcon {
-  background-image: var(--jp-icon-caret-up);
+
+.jp-Statusbar-ProgressCircle svg {
+  display: block;
+  margin: 0 auto;
+  width: 16px;
+  height: 24px;
+  align-self: normal;
 }
-.jp-CaseSensitiveIcon {
-  background-image: var(--jp-icon-case-sensitive);
+
+.jp-Statusbar-ProgressCircle path {
+  fill: var(--jp-inverse-layout-color3);
 }
-.jp-CheckIcon {
-  background-image: var(--jp-icon-check);
-}
-.jp-CircleEmptyIcon {
-  background-image: var(--jp-icon-circle-empty);
-}
-.jp-CircleIcon {
-  background-image: var(--jp-icon-circle);
+
+.jp-Statusbar-ProgressBar-progress-bar {
+  height: 10px;
+  width: 100px;
+  border: solid 0.25px var(--jp-brand-color2);
+  border-radius: 3px;
+  overflow: hidden;
+  align-self: center;
 }
-.jp-ClearIcon {
-  background-image: var(--jp-icon-clear);
+
+.jp-Statusbar-ProgressBar-progress-bar > div {
+  background-color: var(--jp-brand-color2);
+  background-image: linear-gradient(
+    -45deg,
+    rgba(255, 255, 255, 0.2) 25%,
+    transparent 25%,
+    transparent 50%,
+    rgba(255, 255, 255, 0.2) 50%,
+    rgba(255, 255, 255, 0.2) 75%,
+    transparent 75%,
+    transparent
+  );
+  background-size: 40px 40px;
+  float: left;
+  width: 0%;
+  height: 100%;
+  font-size: 12px;
+  line-height: 14px;
+  color: #fff;
+  text-align: center;
+  animation: jp-Statusbar-ExecutionTime-progress-bar 2s linear infinite;
 }
-.jp-CloseIcon {
-  background-image: var(--jp-icon-close);
+
+.jp-Statusbar-ProgressBar-progress-bar p {
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+  font-size: var(--jp-ui-font-size1);
+  line-height: 10px;
+  width: 100px;
 }
-.jp-CodeIcon {
-  background-image: var(--jp-icon-code);
+
+@keyframes jp-Statusbar-ExecutionTime-progress-bar {
+  0% {
+    background-position: 0 0;
+  }
+
+  100% {
+    background-position: 40px 40px;
+  }
 }
-.jp-ConsoleIcon {
-  background-image: var(--jp-icon-console);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-commandpalette-search-height: 28px;
 }
-.jp-CopyIcon {
-  background-image: var(--jp-icon-copy);
+
+/*-----------------------------------------------------------------------------
+| Overall styles
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette {
+  padding-bottom: 0;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-CutIcon {
-  background-image: var(--jp-icon-cut);
+
+/*-----------------------------------------------------------------------------
+| Modal variant
+|----------------------------------------------------------------------------*/
+
+.jp-ModalCommandPalette {
+  position: absolute;
+  z-index: 10000;
+  top: 38px;
+  left: 30%;
+  margin: 0;
+  padding: 4px;
+  width: 40%;
+  box-shadow: var(--jp-elevation-z4);
+  border-radius: 4px;
+  background: var(--jp-layout-color0);
 }
-.jp-DownloadIcon {
-  background-image: var(--jp-icon-download);
+
+.jp-ModalCommandPalette .lm-CommandPalette {
+  max-height: 40vh;
 }
-.jp-EditIcon {
-  background-image: var(--jp-icon-edit);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-close-icon::after {
+  display: none;
 }
-.jp-EllipsesIcon {
-  background-image: var(--jp-icon-ellipses);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
+  display: none;
 }
-.jp-ExtensionIcon {
-  background-image: var(--jp-icon-extension);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
+  margin-left: 4px;
+  margin-right: 4px;
 }
-.jp-FastForwardIcon {
-  background-image: var(--jp-icon-fast-forward);
+
+.jp-ModalCommandPalette
+  .lm-CommandPalette
+  .lm-CommandPalette-item.lm-mod-disabled {
+  display: none;
 }
-.jp-FileIcon {
-  background-image: var(--jp-icon-file);
+
+/*-----------------------------------------------------------------------------
+| Search
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-search {
+  padding: 4px;
+  background-color: var(--jp-layout-color1);
+  z-index: 2;
 }
-.jp-FileUploadIcon {
-  background-image: var(--jp-icon-file-upload);
+
+.lm-CommandPalette-wrapper {
+  overflow: overlay;
+  padding: 0 9px;
+  background-color: var(--jp-input-active-background);
+  height: 30px;
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
 }
-.jp-FilterListIcon {
-  background-image: var(--jp-icon-filter-list);
+
+.lm-CommandPalette.lm-mod-focused .lm-CommandPalette-wrapper {
+  box-shadow: inset 0 0 0 1px var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
 }
-.jp-FolderIcon {
-  background-image: var(--jp-icon-folder);
+
+.jp-SearchIconGroup {
+  color: white;
+  background-color: var(--jp-brand-color1);
+  position: absolute;
+  top: 4px;
+  right: 4px;
+  padding: 5px 5px 1px;
 }
-.jp-Html5Icon {
-  background-image: var(--jp-icon-html5);
+
+.jp-SearchIconGroup svg {
+  height: 20px;
+  width: 20px;
 }
-.jp-ImageIcon {
-  background-image: var(--jp-icon-image);
+
+.jp-SearchIconGroup .jp-icon3[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-InspectorIcon {
-  background-image: var(--jp-icon-inspector);
+
+.lm-CommandPalette-input {
+  background: transparent;
+  width: calc(100% - 18px);
+  float: left;
+  border: none;
+  outline: none;
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  line-height: var(--jp-private-commandpalette-search-height);
 }
-.jp-JsonIcon {
-  background-image: var(--jp-icon-json);
+
+.lm-CommandPalette-input::-webkit-input-placeholder,
+.lm-CommandPalette-input::-moz-placeholder,
+.lm-CommandPalette-input:-ms-input-placeholder {
+  color: var(--jp-ui-font-color2);
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-JupyterFaviconIcon {
-  background-image: var(--jp-icon-jupyter-favicon);
+
+/*-----------------------------------------------------------------------------
+| Results
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-header:first-child {
+  margin-top: 0;
 }
-.jp-JupyterIcon {
-  background-image: var(--jp-icon-jupyter);
+
+.lm-CommandPalette-header {
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin-top: 8px;
+  padding: 8px 0 8px 12px;
+  text-transform: uppercase;
 }
-.jp-JupyterlabWordmarkIcon {
-  background-image: var(--jp-icon-jupyterlab-wordmark);
+
+.lm-CommandPalette-header.lm-mod-active {
+  background: var(--jp-layout-color2);
 }
-.jp-KernelIcon {
-  background-image: var(--jp-icon-kernel);
+
+.lm-CommandPalette-header > mark {
+  background-color: transparent;
+  font-weight: bold;
+  color: var(--jp-ui-font-color1);
 }
-.jp-KeyboardIcon {
-  background-image: var(--jp-icon-keyboard);
+
+.lm-CommandPalette-item {
+  padding: 4px 12px 4px 4px;
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  font-weight: 400;
+  display: flex;
 }
-.jp-LauncherIcon {
-  background-image: var(--jp-icon-launcher);
+
+.lm-CommandPalette-item.lm-mod-disabled {
+  color: var(--jp-ui-font-color2);
 }
-.jp-LineFormIcon {
-  background-image: var(--jp-icon-line-form);
+
+.lm-CommandPalette-item.lm-mod-active {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-LinkIcon {
-  background-image: var(--jp-icon-link);
+
+.lm-CommandPalette-item.lm-mod-active .lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-inverse-font-color0);
 }
-.jp-ListIcon {
-  background-image: var(--jp-icon-list);
+
+.lm-CommandPalette-item.lm-mod-active .jp-icon-selectable[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-ListingsInfoIcon {
-  background-image: var(--jp-icon-listings-info);
+
+.lm-CommandPalette-item.lm-mod-active:hover:not(.lm-mod-disabled) {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-MarkdownIcon {
-  background-image: var(--jp-icon-markdown);
+
+.lm-CommandPalette-item:hover:not(.lm-mod-active):not(.lm-mod-disabled) {
+  background: var(--jp-layout-color2);
 }
-.jp-NewFolderIcon {
-  background-image: var(--jp-icon-new-folder);
+
+.lm-CommandPalette-itemContent {
+  overflow: hidden;
 }
-.jp-NotTrustedIcon {
-  background-image: var(--jp-icon-not-trusted);
+
+.lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-font-color0);
+  background-color: transparent;
+  font-weight: bold;
 }
-.jp-NotebookIcon {
-  background-image: var(--jp-icon-notebook);
+
+.lm-CommandPalette-item.lm-mod-disabled mark {
+  color: var(--jp-ui-font-color2);
 }
-.jp-NumberingIcon {
-  background-image: var(--jp-icon-numbering);
-}
-.jp-OfflineBoltIcon {
-  background-image: var(--jp-icon-offline-bolt);
-}
-.jp-PaletteIcon {
-  background-image: var(--jp-icon-palette);
-}
-.jp-PasteIcon {
-  background-image: var(--jp-icon-paste);
-}
-.jp-PdfIcon {
-  background-image: var(--jp-icon-pdf);
-}
-.jp-PythonIcon {
-  background-image: var(--jp-icon-python);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemIcon {
+  margin: 0 4px 0 0;
+  position: relative;
+  width: 16px;
+  top: 2px;
+  flex: 0 0 auto;
 }
-.jp-RKernelIcon {
-  background-image: var(--jp-icon-r-kernel);
+
+.lm-CommandPalette-item.lm-mod-disabled .lm-CommandPalette-itemIcon {
+  opacity: 0.6;
 }
-.jp-ReactIcon {
-  background-image: var(--jp-icon-react);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemShortcut {
+  flex: 0 0 auto;
 }
-.jp-RedoIcon {
-  background-image: var(--jp-icon-redo);
+
+.lm-CommandPalette-itemCaption {
+  display: none;
 }
-.jp-RefreshIcon {
-  background-image: var(--jp-icon-refresh);
+
+.lm-CommandPalette-content {
+  background-color: var(--jp-layout-color1);
 }
-.jp-RegexIcon {
-  background-image: var(--jp-icon-regex);
+
+.lm-CommandPalette-content:empty::after {
+  content: 'No results';
+  margin: auto;
+  margin-top: 20px;
+  width: 100px;
+  display: block;
+  font-size: var(--jp-ui-font-size2);
+  font-family: var(--jp-ui-font-family);
+  font-weight: lighter;
 }
-.jp-RunIcon {
-  background-image: var(--jp-icon-run);
+
+.lm-CommandPalette-emptyMessage {
+  text-align: center;
+  margin-top: 24px;
+  line-height: 1.32;
+  padding: 0 8px;
+  color: var(--jp-content-font-color3);
 }
-.jp-RunningIcon {
-  background-image: var(--jp-icon-running);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.jp-Dialog {
+  position: absolute;
+  z-index: 10000;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  top: 0;
+  left: 0;
+  margin: 0;
+  padding: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-dialog-background);
 }
-.jp-SaveIcon {
-  background-image: var(--jp-icon-save);
+
+.jp-Dialog-content {
+  display: flex;
+  flex-direction: column;
+  margin-left: auto;
+  margin-right: auto;
+  background: var(--jp-layout-color1);
+  padding: 24px 24px 12px;
+  min-width: 300px;
+  min-height: 150px;
+  max-width: 1000px;
+  max-height: 500px;
+  box-sizing: border-box;
+  box-shadow: var(--jp-elevation-z20);
+  word-wrap: break-word;
+  border-radius: var(--jp-border-radius);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color1);
+  resize: both;
 }
-.jp-SearchIcon {
-  background-image: var(--jp-icon-search);
+
+.jp-Dialog-content.jp-Dialog-content-small {
+  max-width: 500px;
 }
-.jp-SettingsIcon {
-  background-image: var(--jp-icon-settings);
+
+.jp-Dialog-button {
+  overflow: visible;
 }
-.jp-SpreadsheetIcon {
-  background-image: var(--jp-icon-spreadsheet);
+
+button.jp-Dialog-button:focus {
+  outline: 1px solid var(--jp-brand-color1);
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-StopIcon {
-  background-image: var(--jp-icon-stop);
+
+button.jp-Dialog-button:focus::-moz-focus-inner {
+  border: 0;
 }
-.jp-TabIcon {
-  background-image: var(--jp-icon-tab);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-TableRowsIcon {
-  background-image: var(--jp-icon-table-rows);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus {
+  outline: 1px solid var(--jp-accept-color-normal, var(--jp-brand-color1));
 }
-.jp-TagIcon {
-  background-image: var(--jp-icon-tag);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus {
+  outline: 1px solid var(--jp-warn-color-normal, var(--jp-error-color1));
 }
-.jp-TerminalIcon {
-  background-image: var(--jp-icon-terminal);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline: 1px solid var(--jp-reject-color-normal, var(--md-grey-600));
 }
-.jp-TextEditorIcon {
-  background-image: var(--jp-icon-text-editor);
+
+button.jp-Dialog-close-button {
+  padding: 0;
+  height: 100%;
+  min-width: unset;
+  min-height: unset;
 }
-.jp-TocIcon {
-  background-image: var(--jp-icon-toc);
+
+.jp-Dialog-header {
+  display: flex;
+  justify-content: space-between;
+  flex: 0 0 auto;
+  padding-bottom: 12px;
+  font-size: var(--jp-ui-font-size3);
+  font-weight: 400;
+  color: var(--jp-ui-font-color1);
 }
-.jp-TreeViewIcon {
-  background-image: var(--jp-icon-tree-view);
+
+.jp-Dialog-body {
+  display: flex;
+  flex-direction: column;
+  flex: 1 1 auto;
+  font-size: var(--jp-ui-font-size1);
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
 }
-.jp-TrustedIcon {
-  background-image: var(--jp-icon-trusted);
+
+.jp-Dialog-footer {
+  display: flex;
+  flex-direction: row;
+  justify-content: flex-end;
+  align-items: center;
+  flex: 0 0 auto;
+  margin-left: -12px;
+  margin-right: -12px;
+  padding: 12px;
 }
-.jp-UndoIcon {
-  background-image: var(--jp-icon-undo);
+
+.jp-Dialog-checkbox {
+  padding-right: 5px;
 }
-.jp-VegaIcon {
-  background-image: var(--jp-icon-vega);
+
+.jp-Dialog-checkbox > input:focus-visible {
+  outline: 1px solid var(--jp-input-active-border-color);
+  outline-offset: 1px;
 }
-.jp-YamlIcon {
-  background-image: var(--jp-icon-yaml);
+
+.jp-Dialog-spacer {
+  flex: 1 1 auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+.jp-Dialog-title {
+  overflow: hidden;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+}
 
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+.jp-Dialog-body > .jp-select-wrapper {
+  width: 100%;
+}
 
-:root {
-  --jp-icon-search-white: url(data:image/svg+xml;base64,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);
+.jp-Dialog-body > button {
+  padding: 0 16px;
 }
 
-.jp-Icon,
-.jp-MaterialIcon {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
+.jp-Dialog-body > label {
+  line-height: 1.4;
+  color: var(--jp-ui-font-color0);
 }
 
-.jp-Icon-cover {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: cover;
+.jp-Dialog-button.jp-mod-styled:not(:last-child) {
+  margin-right: 12px;
 }
 
-/**
- * (DEPRECATED) Support for specific CSS icon sizes
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
 
-.jp-Icon-16 {
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
-}
-
-.jp-Icon-18 {
-  background-size: 18px;
-  min-width: 18px;
-  min-height: 18px;
+.jp-Input-Boolean-Dialog {
+  flex-direction: row-reverse;
+  align-items: end;
+  width: 100%;
 }
 
-.jp-Icon-20 {
-  background-size: 20px;
-  min-width: 20px;
-  min-height: 20px;
+.jp-Input-Boolean-Dialog > label {
+  flex: 1 1 auto;
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/**
- * Support for icons as inline SVG HTMLElements
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-/* recolor the accent elements of an icon */
-.jp-icon-accent0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-accent1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-accent2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-accent3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-accent4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-accent0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-accent1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-accent2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-accent3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-accent4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-/* set the color of an icon to transparent */
-.jp-icon-none[fill] {
-  fill: none;
-}
-
-.jp-icon-none[stroke] {
-  stroke: none;
-}
-/* brand icon colors. Same for light and dark */
-.jp-icon-brand0[fill] {
-  fill: var(--jp-brand-color0);
-}
-.jp-icon-brand1[fill] {
-  fill: var(--jp-brand-color1);
-}
-.jp-icon-brand2[fill] {
-  fill: var(--jp-brand-color2);
-}
-.jp-icon-brand3[fill] {
-  fill: var(--jp-brand-color3);
-}
-.jp-icon-brand4[fill] {
-  fill: var(--jp-brand-color4);
-}
-
-.jp-icon-brand0[stroke] {
-  stroke: var(--jp-brand-color0);
-}
-.jp-icon-brand1[stroke] {
-  stroke: var(--jp-brand-color1);
-}
-.jp-icon-brand2[stroke] {
-  stroke: var(--jp-brand-color2);
-}
-.jp-icon-brand3[stroke] {
-  stroke: var(--jp-brand-color3);
-}
-.jp-icon-brand4[stroke] {
-  stroke: var(--jp-brand-color4);
-}
-/* warn icon colors. Same for light and dark */
-.jp-icon-warn0[fill] {
-  fill: var(--jp-warn-color0);
-}
-.jp-icon-warn1[fill] {
-  fill: var(--jp-warn-color1);
-}
-.jp-icon-warn2[fill] {
-  fill: var(--jp-warn-color2);
-}
-.jp-icon-warn3[fill] {
-  fill: var(--jp-warn-color3);
-}
-
-.jp-icon-warn0[stroke] {
-  stroke: var(--jp-warn-color0);
-}
-.jp-icon-warn1[stroke] {
-  stroke: var(--jp-warn-color1);
-}
-.jp-icon-warn2[stroke] {
-  stroke: var(--jp-warn-color2);
-}
-.jp-icon-warn3[stroke] {
-  stroke: var(--jp-warn-color3);
-}
-/* icon colors that contrast well with each other and most backgrounds */
-.jp-icon-contrast0[fill] {
-  fill: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[fill] {
-  fill: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[fill] {
-  fill: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[fill] {
-  fill: var(--jp-icon-contrast-color3);
-}
-
-.jp-icon-contrast0[stroke] {
-  stroke: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[stroke] {
-  stroke: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[stroke] {
-  stroke: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[stroke] {
-  stroke: var(--jp-icon-contrast-color3);
-}
-
-/* CSS for icons in selected items in the settings editor */
-#setting-editor .jp-PluginList .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-#setting-editor
-  .jp-PluginList
-  .jp-mod-selected
-  .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected filebrowser listing items */
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected tabs in the sidebar tab manager */
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable[fill] {
-  fill: #fff;
+.jp-MainAreaWidget > :focus {
+  outline: none;
 }
 
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable[fill] {
-  fill: var(--jp-brand-color1);
+.jp-MainAreaWidget .jp-MainAreaWidget-error {
+  padding: 6px;
 }
 
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable-inverse[fill] {
-  fill: #fff;
+.jp-MainAreaWidget .jp-MainAreaWidget-error > pre {
+  width: auto;
+  padding: 10px;
+  background: var(--jp-error-color3);
+  border: var(--jp-border-width) solid var(--jp-error-color1);
+  border-radius: var(--jp-border-radius);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  white-space: pre-wrap;
+  word-wrap: break-word;
 }
 
-/**
- * TODO: come up with non css-hack solution for showing the busy icon on top
- *  of the close icon
- * CSS for complex behavior of close icon of tabs in the sidebar tab manager
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty.jp-mod-active
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: #fff;
-}
-
-/**
-* TODO: come up with non css-hack solution for showing the busy icon on top
-*  of the close icon
-* CSS for complex behavior of close icon of tabs in the main area tabbar
-*/
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-/* CSS for icons in status bar */
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-/* special handling for splash icon CSS. While the theme CSS reloads during
-   splash, the splash icon can loose theming. To prevent that, we set a
-   default for its color variable */
-:root {
-  --jp-warn-color0: var(--md-orange-700);
-}
-
-/* not sure what to do with this one, used in filebrowser listing */
-.jp-DragIcon {
-  margin-right: 4px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
 
 /**
- * Support for alt colors for icons as inline SVG HTMLElements
+ * google-material-color v1.2.6
+ * https://github.com/danlevan/google-material-color
  */
-
-/* alt recolor the primary elements of an icon */
-.jp-icon-alt .jp-icon0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-alt .jp-icon0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* alt recolor the accent elements of an icon */
-.jp-icon-alt .jp-icon-accent0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-alt .jp-icon-accent4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-alt .jp-icon-accent0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[stroke] {
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-}
-.jp-icon-alt .jp-icon-accent4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-icon-hoverShow:not(:hover) svg {
-  display: none !important;
-}
-
-/**
- * Support for hover colors for icons as inline SVG HTMLElements
- */
-
-/**
- * regular colors
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon-hover :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
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-.jp-icon-hover :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/* recolor the accent elements of an icon */
-.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* set the color of an icon to transparent */
-.jp-icon-hover :hover .jp-icon-none-hover[fill] {
-  fill: none;
-}
-
-.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
-  stroke: none;
-}
-
-/**
- * inverse colors
- */
-
-/* inverse recolor the primary elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* inverse recolor the accent elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-switch {
-  display: flex;
-  align-items: center;
-  padding-left: 4px;
-  padding-right: 4px;
-  font-size: var(--jp-ui-font-size1);
-  background-color: transparent;
-  color: var(--jp-ui-font-color1);
-  border: none;
-  height: 20px;
-}
-
-.jp-switch:hover {
-  background-color: var(--jp-layout-color2);
-}
-
-.jp-switch-label {
-  margin-right: 5px;
-}
-
-.jp-switch-track {
-  cursor: pointer;
-  background-color: var(--jp-border-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 34px;
-  height: 16px;
-  width: 35px;
-  position: relative;
-}
-
-.jp-switch-track::before {
-  content: '';
-  position: absolute;
-  height: 10px;
-  width: 10px;
-  margin: 3px;
-  left: 0px;
-  background-color: var(--jp-ui-inverse-font-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 50%;
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track {
-  background-color: var(--jp-warn-color0);
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track::before {
-  /* track width (35) - margins (3 + 3) - thumb width (10) */
-  left: 19px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/* Sibling imports */
-
-/* Override Blueprint's _reset.scss styles */
-html {
-  box-sizing: unset;
-}
-
-*,
-*::before,
-*::after {
-  box-sizing: unset;
-}
-
-body {
-  color: unset;
-  font-family: var(--jp-ui-font-family);
-}
-
-p {
-  margin-top: unset;
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-}
-
-small {
-  font-size: unset;
-}
-
-strong {
-  font-weight: unset;
-}
-
-/* Override Blueprint's _typography.scss styles */
-a {
-  text-decoration: unset;
-  color: unset;
-}
-a:hover {
-  text-decoration: unset;
-  color: unset;
-}
-
-/* Override Blueprint's _accessibility.scss styles */
-:focus {
-  outline: unset;
-  outline-offset: unset;
-  -moz-outline-radius: unset;
-}
-
-/* Styles for ui-components */
-.jp-Button {
-  border-radius: var(--jp-border-radius);
-  padding: 0px 12px;
-  font-size: var(--jp-ui-font-size1);
-}
-
-/* Use our own theme for hover styles */
-button.jp-Button.bp3-button.bp3-minimal:hover {
-  background-color: var(--jp-layout-color2);
-}
-.jp-Button.minimal {
-  color: unset !important;
-}
-
-.jp-Button.jp-ToolbarButtonComponent {
-  text-transform: none;
-}
-
-.jp-InputGroup input {
-  box-sizing: border-box;
-  border-radius: 0;
-  background-color: transparent;
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-
-.jp-InputGroup input:focus {
-  box-shadow: inset 0 0 0 var(--jp-border-width)
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-}
-
-.jp-InputGroup input::placeholder,
-input::placeholder {
-  color: var(--jp-ui-font-color3);
-}
-
-.jp-BPIcon {
-  display: inline-block;
-  vertical-align: middle;
-  margin: auto;
-}
-
-/* Stop blueprint futzing with our icon fills */
-.bp3-icon.jp-BPIcon > svg:not([fill]) {
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-}
-
-.jp-InputGroupAction {
-  padding: 6px;
-}
-
-.jp-HTMLSelect.jp-DefaultStyle select {
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-  font-size: var(--jp-ui-font-size1);
-  height: 24px;
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-  padding: 0 25px 0 10px;
-  text-align: left;
-  -moz-appearance: none;
-  -webkit-appearance: none;
-}
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-/* Use our own theme for hover and option styles */
-.jp-HTMLSelect.jp-DefaultStyle select:hover,
-.jp-HTMLSelect.jp-DefaultStyle select > option {
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-  color: var(--jp-ui-font-color0);
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-select {
-  box-sizing: border-box;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-Collapse {
-  display: flex;
-  flex-direction: column;
-  align-items: stretch;
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-}
-
-.jp-Collapse-header {
-  padding: 1px 12px;
-  color: var(--jp-ui-font-color1);
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-.jp-Collapse-header:hover {
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-.jp-Collapse-contents {
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-  color: var(--jp-ui-font-color1);
-  overflow: auto;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
-
-:root {
-  --jp-private-commandpalette-search-height: 28px;
-}
-
-/*-----------------------------------------------------------------------------
-| Overall styles
-|----------------------------------------------------------------------------*/
-
-.lm-CommandPalette {
-  padding-bottom: 0px;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-}
-
-/*-----------------------------------------------------------------------------
-| Modal variant
-|----------------------------------------------------------------------------*/
-
-.jp-ModalCommandPalette {
-  position: absolute;
-  z-index: 10000;
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-  left: 30%;
-  margin: 0;
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-.jp-ModalCommandPalette .lm-CommandPalette {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
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-  margin-right: 4px;
-}
-
-.jp-ModalCommandPalette
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-  .lm-CommandPalette-item.lm-mod-disabled {
-  display: none;
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-
-/*-----------------------------------------------------------------------------
-| Search
-|----------------------------------------------------------------------------*/
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-.lm-CommandPalette-search {
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-/*-----------------------------------------------------------------------------
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-.lm-CommandPalette-header:first-child {
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-  border: var(--jp-border-width) solid var(--jp-border-color1);
-  padding-left: 7px;
-  padding-right: 7px;
-  font-size: var(--jp-ui-font-size2);
-  color: var(--jp-ui-font-color0);
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-input.jp-mod-styled:focus {
-  border: var(--jp-border-width) solid var(--md-blue-500);
-  box-shadow: inset 0 0 4px var(--md-blue-300);
-}
-
-.jp-select-wrapper {
-  display: flex;
-  position: relative;
-  flex-direction: column;
-  padding: 1px;
-  background-color: var(--jp-layout-color1);
-  height: 28px;
-  box-sizing: border-box;
-  margin-bottom: 12px;
-}
-
-.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
-  background-color: var(--jp-input-active-background);
-}
-
-select.jp-mod-styled:hover {
-  background-color: var(--jp-layout-color1);
-  cursor: pointer;
-  color: var(--jp-ui-font-color0);
-  background-color: var(--jp-input-hover-background);
-  box-shadow: inset 0 0px 1px rgba(0, 0, 0, 0.5);
-}
-
-select.jp-mod-styled {
-  flex: 1 1 auto;
-  height: 32px;
-  width: 100%;
-  font-size: var(--jp-ui-font-size2);
-  background: var(--jp-input-background);
-  color: var(--jp-ui-font-color0);
-  padding: 0 25px 0 8px;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
 :root {
-  --jp-private-toolbar-height: calc(
-    28px + var(--jp-border-width)
-  ); /* leave 28px for content */
-}
-
-.jp-Toolbar {
-  color: var(--jp-ui-font-color1);
-  flex: 0 0 auto;
-  display: flex;
-  flex-direction: row;
-  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
-  box-shadow: var(--jp-toolbar-box-shadow);
-  background: var(--jp-toolbar-background);
-  min-height: var(--jp-toolbar-micro-height);
-  padding: 2px;
-  z-index: 1;
-  overflow-x: hidden;
-}
-
-.jp-Toolbar:hover {
-  overflow-x: auto;
-}
-
-/* Toolbar items */
-
-.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
-  flex-grow: 1;
-  flex-shrink: 1;
-}
-
-.jp-Toolbar-item.jp-Toolbar-kernelStatus {
-  display: inline-block;
-  width: 32px;
-  background-repeat: no-repeat;
-  background-position: center;
-  background-size: 16px;
-}
-
-.jp-Toolbar > .jp-Toolbar-item {
-  flex: 0 0 auto;
-  display: flex;
-  padding-left: 1px;
-  padding-right: 1px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: var(--jp-private-toolbar-height);
-  height: 100%;
-}
-
-/* Toolbar buttons */
-
-/* This is the div we use to wrap the react component into a Widget */
-div.jp-ToolbarButton {
-  color: transparent;
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px;
-  margin: 0px;
-}
-
-button.jp-ToolbarButtonComponent {
-  background: var(--jp-layout-color1);
-  border: none;
-  box-sizing: border-box;
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-  padding: 0px 6px;
-  margin: 0px;
-  height: 24px;
-  border-radius: var(--jp-border-radius);
-  display: flex;
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-  text-align: center;
-  font-size: 14px;
-  min-width: unset;
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-}
-
-button.jp-ToolbarButtonComponent:disabled {
-  opacity: 0.4;
-}
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-button.jp-ToolbarButtonComponent span {
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-
-button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
-  font-size: var(--jp-ui-font-size1);
-  line-height: 100%;
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-  color: var(--jp-ui-font-color1);
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar.jp-Toolbar-micro {
-  padding: 0;
-  min-height: 0;
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar {
-  border: none;
-  box-shadow: none;
+  --md-red-50: #ffebee;
+  --md-red-100: #ffcdd2;
+  --md-red-200: #ef9a9a;
+  --md-red-300: #e57373;
+  --md-red-400: #ef5350;
+  --md-red-500: #f44336;
+  --md-red-600: #e53935;
+  --md-red-700: #d32f2f;
+  --md-red-800: #c62828;
+  --md-red-900: #b71c1c;
+  --md-red-A100: #ff8a80;
+  --md-red-A200: #ff5252;
+  --md-red-A400: #ff1744;
+  --md-red-A700: #d50000;
+  --md-pink-50: #fce4ec;
+  --md-pink-100: #f8bbd0;
+  --md-pink-200: #f48fb1;
+  --md-pink-300: #f06292;
+  --md-pink-400: #ec407a;
+  --md-pink-500: #e91e63;
+  --md-pink-600: #d81b60;
+  --md-pink-700: #c2185b;
+  --md-pink-800: #ad1457;
+  --md-pink-900: #880e4f;
+  --md-pink-A100: #ff80ab;
+  --md-pink-A200: #ff4081;
+  --md-pink-A400: #f50057;
+  --md-pink-A700: #c51162;
+  --md-purple-50: #f3e5f5;
+  --md-purple-100: #e1bee7;
+  --md-purple-200: #ce93d8;
+  --md-purple-300: #ba68c8;
+  --md-purple-400: #ab47bc;
+  --md-purple-500: #9c27b0;
+  --md-purple-600: #8e24aa;
+  --md-purple-700: #7b1fa2;
+  --md-purple-800: #6a1b9a;
+  --md-purple-900: #4a148c;
+  --md-purple-A100: #ea80fc;
+  --md-purple-A200: #e040fb;
+  --md-purple-A400: #d500f9;
+  --md-purple-A700: #a0f;
+  --md-deep-purple-50: #ede7f6;
+  --md-deep-purple-100: #d1c4e9;
+  --md-deep-purple-200: #b39ddb;
+  --md-deep-purple-300: #9575cd;
+  --md-deep-purple-400: #7e57c2;
+  --md-deep-purple-500: #673ab7;
+  --md-deep-purple-600: #5e35b1;
+  --md-deep-purple-700: #512da8;
+  --md-deep-purple-800: #4527a0;
+  --md-deep-purple-900: #311b92;
+  --md-deep-purple-A100: #b388ff;
+  --md-deep-purple-A200: #7c4dff;
+  --md-deep-purple-A400: #651fff;
+  --md-deep-purple-A700: #6200ea;
+  --md-indigo-50: #e8eaf6;
+  --md-indigo-100: #c5cae9;
+  --md-indigo-200: #9fa8da;
+  --md-indigo-300: #7986cb;
+  --md-indigo-400: #5c6bc0;
+  --md-indigo-500: #3f51b5;
+  --md-indigo-600: #3949ab;
+  --md-indigo-700: #303f9f;
+  --md-indigo-800: #283593;
+  --md-indigo-900: #1a237e;
+  --md-indigo-A100: #8c9eff;
+  --md-indigo-A200: #536dfe;
+  --md-indigo-A400: #3d5afe;
+  --md-indigo-A700: #304ffe;
+  --md-blue-50: #e3f2fd;
+  --md-blue-100: #bbdefb;
+  --md-blue-200: #90caf9;
+  --md-blue-300: #64b5f6;
+  --md-blue-400: #42a5f5;
+  --md-blue-500: #2196f3;
+  --md-blue-600: #1e88e5;
+  --md-blue-700: #1976d2;
+  --md-blue-800: #1565c0;
+  --md-blue-900: #0d47a1;
+  --md-blue-A100: #82b1ff;
+  --md-blue-A200: #448aff;
+  --md-blue-A400: #2979ff;
+  --md-blue-A700: #2962ff;
+  --md-light-blue-50: #e1f5fe;
+  --md-light-blue-100: #b3e5fc;
+  --md-light-blue-200: #81d4fa;
+  --md-light-blue-300: #4fc3f7;
+  --md-light-blue-400: #29b6f6;
+  --md-light-blue-500: #03a9f4;
+  --md-light-blue-600: #039be5;
+  --md-light-blue-700: #0288d1;
+  --md-light-blue-800: #0277bd;
+  --md-light-blue-900: #01579b;
+  --md-light-blue-A100: #80d8ff;
+  --md-light-blue-A200: #40c4ff;
+  --md-light-blue-A400: #00b0ff;
+  --md-light-blue-A700: #0091ea;
+  --md-cyan-50: #e0f7fa;
+  --md-cyan-100: #b2ebf2;
+  --md-cyan-200: #80deea;
+  --md-cyan-300: #4dd0e1;
+  --md-cyan-400: #26c6da;
+  --md-cyan-500: #00bcd4;
+  --md-cyan-600: #00acc1;
+  --md-cyan-700: #0097a7;
+  --md-cyan-800: #00838f;
+  --md-cyan-900: #006064;
+  --md-cyan-A100: #84ffff;
+  --md-cyan-A200: #18ffff;
+  --md-cyan-A400: #00e5ff;
+  --md-cyan-A700: #00b8d4;
+  --md-teal-50: #e0f2f1;
+  --md-teal-100: #b2dfdb;
+  --md-teal-200: #80cbc4;
+  --md-teal-300: #4db6ac;
+  --md-teal-400: #26a69a;
+  --md-teal-500: #009688;
+  --md-teal-600: #00897b;
+  --md-teal-700: #00796b;
+  --md-teal-800: #00695c;
+  --md-teal-900: #004d40;
+  --md-teal-A100: #a7ffeb;
+  --md-teal-A200: #64ffda;
+  --md-teal-A400: #1de9b6;
+  --md-teal-A700: #00bfa5;
+  --md-green-50: #e8f5e9;
+  --md-green-100: #c8e6c9;
+  --md-green-200: #a5d6a7;
+  --md-green-300: #81c784;
+  --md-green-400: #66bb6a;
+  --md-green-500: #4caf50;
+  --md-green-600: #43a047;
+  --md-green-700: #388e3c;
+  --md-green-800: #2e7d32;
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+  --md-green-A200: #69f0ae;
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+  --md-light-green-50: #f1f8e9;
+  --md-light-green-100: #dcedc8;
+  --md-light-green-200: #c5e1a5;
+  --md-light-green-300: #aed581;
+  --md-light-green-400: #9ccc65;
+  --md-light-green-500: #8bc34a;
+  --md-light-green-600: #7cb342;
+  --md-light-green-700: #689f38;
+  --md-light-green-800: #558b2f;
+  --md-light-green-900: #33691e;
+  --md-light-green-A100: #ccff90;
+  --md-light-green-A200: #b2ff59;
+  --md-light-green-A400: #76ff03;
+  --md-light-green-A700: #64dd17;
+  --md-lime-50: #f9fbe7;
+  --md-lime-100: #f0f4c3;
+  --md-lime-200: #e6ee9c;
+  --md-lime-300: #dce775;
+  --md-lime-400: #d4e157;
+  --md-lime-500: #cddc39;
+  --md-lime-600: #c0ca33;
+  --md-lime-700: #afb42b;
+  --md-lime-800: #9e9d24;
+  --md-lime-900: #827717;
+  --md-lime-A100: #f4ff81;
+  --md-lime-A200: #eeff41;
+  --md-lime-A400: #c6ff00;
+  --md-lime-A700: #aeea00;
+  --md-yellow-50: #fffde7;
+  --md-yellow-100: #fff9c4;
+  --md-yellow-200: #fff59d;
+  --md-yellow-300: #fff176;
+  --md-yellow-400: #ffee58;
+  --md-yellow-500: #ffeb3b;
+  --md-yellow-600: #fdd835;
+  --md-yellow-700: #fbc02d;
+  --md-yellow-800: #f9a825;
+  --md-yellow-900: #f57f17;
+  --md-yellow-A100: #ffff8d;
+  --md-yellow-A200: #ff0;
+  --md-yellow-A400: #ffea00;
+  --md-yellow-A700: #ffd600;
+  --md-amber-50: #fff8e1;
+  --md-amber-100: #ffecb3;
+  --md-amber-200: #ffe082;
+  --md-amber-300: #ffd54f;
+  --md-amber-400: #ffca28;
+  --md-amber-500: #ffc107;
+  --md-amber-600: #ffb300;
+  --md-amber-700: #ffa000;
+  --md-amber-800: #ff8f00;
+  --md-amber-900: #ff6f00;
+  --md-amber-A100: #ffe57f;
+  --md-amber-A200: #ffd740;
+  --md-amber-A400: #ffc400;
+  --md-amber-A700: #ffab00;
+  --md-orange-50: #fff3e0;
+  --md-orange-100: #ffe0b2;
+  --md-orange-200: #ffcc80;
+  --md-orange-300: #ffb74d;
+  --md-orange-400: #ffa726;
+  --md-orange-500: #ff9800;
+  --md-orange-600: #fb8c00;
+  --md-orange-700: #f57c00;
+  --md-orange-800: #ef6c00;
+  --md-orange-900: #e65100;
+  --md-orange-A100: #ffd180;
+  --md-orange-A200: #ffab40;
+  --md-orange-A400: #ff9100;
+  --md-orange-A700: #ff6d00;
+  --md-deep-orange-50: #fbe9e7;
+  --md-deep-orange-100: #ffccbc;
+  --md-deep-orange-200: #ffab91;
+  --md-deep-orange-300: #ff8a65;
+  --md-deep-orange-400: #ff7043;
+  --md-deep-orange-500: #ff5722;
+  --md-deep-orange-600: #f4511e;
+  --md-deep-orange-700: #e64a19;
+  --md-deep-orange-800: #d84315;
+  --md-deep-orange-900: #bf360c;
+  --md-deep-orange-A100: #ff9e80;
+  --md-deep-orange-A200: #ff6e40;
+  --md-deep-orange-A400: #ff3d00;
+  --md-deep-orange-A700: #dd2c00;
+  --md-brown-50: #efebe9;
+  --md-brown-100: #d7ccc8;
+  --md-brown-200: #bcaaa4;
+  --md-brown-300: #a1887f;
+  --md-brown-400: #8d6e63;
+  --md-brown-500: #795548;
+  --md-brown-600: #6d4c41;
+  --md-brown-700: #5d4037;
+  --md-brown-800: #4e342e;
+  --md-brown-900: #3e2723;
+  --md-grey-50: #fafafa;
+  --md-grey-100: #f5f5f5;
+  --md-grey-200: #eee;
+  --md-grey-300: #e0e0e0;
+  --md-grey-400: #bdbdbd;
+  --md-grey-500: #9e9e9e;
+  --md-grey-600: #757575;
+  --md-grey-700: #616161;
+  --md-grey-800: #424242;
+  --md-grey-900: #212121;
+  --md-blue-grey-50: #eceff1;
+  --md-blue-grey-100: #cfd8dc;
+  --md-blue-grey-200: #b0bec5;
+  --md-blue-grey-300: #90a4ae;
+  --md-blue-grey-400: #78909c;
+  --md-blue-grey-500: #607d8b;
+  --md-blue-grey-600: #546e7a;
+  --md-blue-grey-700: #455a64;
+  --md-blue-grey-800: #37474f;
+  --md-blue-grey-900: #263238;
 }
 
 /*-----------------------------------------------------------------------------
 | Copyright (c) 2014-2017, Jupyter Development Team.
 |
 | Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Copyright (c) 2014-2017, PhosphorJS Contributors
-|
-| Distributed under the terms of the BSD 3-Clause License.
-|
-| The full license is in the file LICENSE, distributed with this software.
-|----------------------------------------------------------------------------*/
-
-
-/* <DEPRECATED> */ body.p-mod-override-cursor *, /* </DEPRECATED> */
-body.lm-mod-override-cursor * {
-  cursor: inherit !important;
-}
+|----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
+| Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-JSONEditor {
-  display: flex;
-  flex-direction: column;
-  width: 100%;
-}
+/*-----------------------------------------------------------------------------
+| RenderedText
+|----------------------------------------------------------------------------*/
 
-.jp-JSONEditor-host {
-  flex: 1 1 auto;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  background: var(--jp-layout-color0);
-  min-height: 50px;
-  padding: 1px;
+:root {
+  /* This is the padding value to fill the gaps between lines containing spans with background color. */
+  --jp-private-code-span-padding: calc(
+    (var(--jp-code-line-height) - 1) * var(--jp-code-font-size) / 2
+  );
 }
 
-.jp-JSONEditor.jp-mod-error .jp-JSONEditor-host {
-  border-color: red;
-  outline-color: red;
+.jp-RenderedText {
+  text-align: left;
+  padding-left: var(--jp-code-padding);
+  line-height: var(--jp-code-line-height);
+  font-family: var(--jp-code-font-family);
 }
 
-.jp-JSONEditor-header {
-  display: flex;
-  flex: 1 0 auto;
-  padding: 0 0 0 12px;
+.jp-RenderedText pre,
+.jp-RenderedJavaScript pre,
+.jp-RenderedHTMLCommon pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+  border: none;
+  margin: 0;
+  padding: 0;
 }
 
-.jp-JSONEditor-header label {
-  flex: 0 0 auto;
+.jp-RenderedText pre a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-commitButton {
-  height: 16px;
-  width: 16px;
-  background-size: 18px;
-  background-repeat: no-repeat;
-  background-position: center;
+.jp-RenderedText pre a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-host.jp-mod-focused {
-  background-color: var(--jp-input-active-background);
-  border: 1px solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-Editor.jp-mod-dropTarget {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+/* console foregrounds and backgrounds */
+.jp-RenderedText pre .ansi-black-fg {
+  color: #3e424d;
 }
 
-/* BASICS */
-
-.CodeMirror {
-  /* Set height, width, borders, and global font properties here */
-  font-family: monospace;
-  height: 300px;
-  color: black;
-  direction: ltr;
+.jp-RenderedText pre .ansi-red-fg {
+  color: #e75c58;
 }
 
-/* PADDING */
-
-.CodeMirror-lines {
-  padding: 4px 0; /* Vertical padding around content */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  padding: 0 4px; /* Horizontal padding of content */
+.jp-RenderedText pre .ansi-green-fg {
+  color: #00a250;
 }
 
-.CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  background-color: white; /* The little square between H and V scrollbars */
+.jp-RenderedText pre .ansi-yellow-fg {
+  color: #ddb62b;
 }
 
-/* GUTTER */
-
-.CodeMirror-gutters {
-  border-right: 1px solid #ddd;
-  background-color: #f7f7f7;
-  white-space: nowrap;
-}
-.CodeMirror-linenumbers {}
-.CodeMirror-linenumber {
-  padding: 0 3px 0 5px;
-  min-width: 20px;
-  text-align: right;
-  color: #999;
-  white-space: nowrap;
+.jp-RenderedText pre .ansi-blue-fg {
+  color: #208ffb;
 }
 
-.CodeMirror-guttermarker { color: black; }
-.CodeMirror-guttermarker-subtle { color: #999; }
-
-/* CURSOR */
-
-.CodeMirror-cursor {
-  border-left: 1px solid black;
-  border-right: none;
-  width: 0;
-}
-/* Shown when moving in bi-directional text */
-.CodeMirror div.CodeMirror-secondarycursor {
-  border-left: 1px solid silver;
-}
-.cm-fat-cursor .CodeMirror-cursor {
-  width: auto;
-  border: 0 !important;
-  background: #7e7;
-}
-.cm-fat-cursor div.CodeMirror-cursors {
-  z-index: 1;
-}
-.cm-fat-cursor-mark {
-  background-color: rgba(20, 255, 20, 0.5);
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-}
-.cm-animate-fat-cursor {
-  width: auto;
-  border: 0;
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-  background-color: #7e7;
-}
-@-moz-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@-webkit-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+.jp-RenderedText pre .ansi-magenta-fg {
+  color: #d160c4;
 }
 
-/* Can style cursor different in overwrite (non-insert) mode */
-.CodeMirror-overwrite .CodeMirror-cursor {}
-
-.cm-tab { display: inline-block; text-decoration: inherit; }
-
-.CodeMirror-rulers {
-  position: absolute;
-  left: 0; right: 0; top: -50px; bottom: 0;
-  overflow: hidden;
-}
-.CodeMirror-ruler {
-  border-left: 1px solid #ccc;
-  top: 0; bottom: 0;
-  position: absolute;
+.jp-RenderedText pre .ansi-cyan-fg {
+  color: #60c6c8;
 }
 
-/* DEFAULT THEME */
-
-.cm-s-default .cm-header {color: blue;}
-.cm-s-default .cm-quote {color: #090;}
-.cm-negative {color: #d44;}
-.cm-positive {color: #292;}
-.cm-header, .cm-strong {font-weight: bold;}
-.cm-em {font-style: italic;}
-.cm-link {text-decoration: underline;}
-.cm-strikethrough {text-decoration: line-through;}
-
-.cm-s-default .cm-keyword {color: #708;}
-.cm-s-default .cm-atom {color: #219;}
-.cm-s-default .cm-number {color: #164;}
-.cm-s-default .cm-def {color: #00f;}
-.cm-s-default .cm-variable,
-.cm-s-default .cm-punctuation,
-.cm-s-default .cm-property,
-.cm-s-default .cm-operator {}
-.cm-s-default .cm-variable-2 {color: #05a;}
-.cm-s-default .cm-variable-3, .cm-s-default .cm-type {color: #085;}
-.cm-s-default .cm-comment {color: #a50;}
-.cm-s-default .cm-string {color: #a11;}
-.cm-s-default .cm-string-2 {color: #f50;}
-.cm-s-default .cm-meta {color: #555;}
-.cm-s-default .cm-qualifier {color: #555;}
-.cm-s-default .cm-builtin {color: #30a;}
-.cm-s-default .cm-bracket {color: #997;}
-.cm-s-default .cm-tag {color: #170;}
-.cm-s-default .cm-attribute {color: #00c;}
-.cm-s-default .cm-hr {color: #999;}
-.cm-s-default .cm-link {color: #00c;}
-
-.cm-s-default .cm-error {color: #f00;}
-.cm-invalidchar {color: #f00;}
-
-.CodeMirror-composing { border-bottom: 2px solid; }
-
-/* Default styles for common addons */
-
-div.CodeMirror span.CodeMirror-matchingbracket {color: #0b0;}
-div.CodeMirror span.CodeMirror-nonmatchingbracket {color: #a22;}
-.CodeMirror-matchingtag { background: rgba(255, 150, 0, .3); }
-.CodeMirror-activeline-background {background: #e8f2ff;}
-
-/* STOP */
-
-/* The rest of this file contains styles related to the mechanics of
-   the editor. You probably shouldn't touch them. */
-
-.CodeMirror {
-  position: relative;
-  overflow: hidden;
-  background: white;
+.jp-RenderedText pre .ansi-white-fg {
+  color: #c5c1b4;
 }
 
-.CodeMirror-scroll {
-  overflow: scroll !important; /* Things will break if this is overridden */
-  /* 50px is the magic margin used to hide the element's real scrollbars */
-  /* See overflow: hidden in .CodeMirror */
-  margin-bottom: -50px; margin-right: -50px;
-  padding-bottom: 50px;
-  height: 100%;
-  outline: none; /* Prevent dragging from highlighting the element */
-  position: relative;
-}
-.CodeMirror-sizer {
-  position: relative;
-  border-right: 50px solid transparent;
+.jp-RenderedText pre .ansi-black-bg {
+  background-color: #3e424d;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* The fake, visible scrollbars. Used to force redraw during scrolling
-   before actual scrolling happens, thus preventing shaking and
-   flickering artifacts. */
-.CodeMirror-vscrollbar, .CodeMirror-hscrollbar, .CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  position: absolute;
-  z-index: 6;
-  display: none;
-}
-.CodeMirror-vscrollbar {
-  right: 0; top: 0;
-  overflow-x: hidden;
-  overflow-y: scroll;
-}
-.CodeMirror-hscrollbar {
-  bottom: 0; left: 0;
-  overflow-y: hidden;
-  overflow-x: scroll;
-}
-.CodeMirror-scrollbar-filler {
-  right: 0; bottom: 0;
-}
-.CodeMirror-gutter-filler {
-  left: 0; bottom: 0;
+.jp-RenderedText pre .ansi-red-bg {
+  background-color: #e75c58;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-gutters {
-  position: absolute; left: 0; top: 0;
-  min-height: 100%;
-  z-index: 3;
-}
-.CodeMirror-gutter {
-  white-space: normal;
-  height: 100%;
-  display: inline-block;
-  vertical-align: top;
-  margin-bottom: -50px;
-}
-.CodeMirror-gutter-wrapper {
-  position: absolute;
-  z-index: 4;
-  background: none !important;
-  border: none !important;
-}
-.CodeMirror-gutter-background {
-  position: absolute;
-  top: 0; bottom: 0;
-  z-index: 4;
-}
-.CodeMirror-gutter-elt {
-  position: absolute;
-  cursor: default;
-  z-index: 4;
+.jp-RenderedText pre .ansi-green-bg {
+  background-color: #00a250;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-gutter-wrapper ::selection { background-color: transparent }
-.CodeMirror-gutter-wrapper ::-moz-selection { background-color: transparent }
 
-.CodeMirror-lines {
-  cursor: text;
-  min-height: 1px; /* prevents collapsing before first draw */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  /* Reset some styles that the rest of the page might have set */
-  -moz-border-radius: 0; -webkit-border-radius: 0; border-radius: 0;
-  border-width: 0;
-  background: transparent;
-  font-family: inherit;
-  font-size: inherit;
-  margin: 0;
-  white-space: pre;
-  word-wrap: normal;
-  line-height: inherit;
-  color: inherit;
-  z-index: 2;
-  position: relative;
-  overflow: visible;
-  -webkit-tap-highlight-color: transparent;
-  -webkit-font-variant-ligatures: contextual;
-  font-variant-ligatures: contextual;
-}
-.CodeMirror-wrap pre.CodeMirror-line,
-.CodeMirror-wrap pre.CodeMirror-line-like {
-  word-wrap: break-word;
-  white-space: pre-wrap;
-  word-break: normal;
+.jp-RenderedText pre .ansi-yellow-bg {
+  background-color: #ddb62b;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linebackground {
-  position: absolute;
-  left: 0; right: 0; top: 0; bottom: 0;
-  z-index: 0;
+.jp-RenderedText pre .ansi-blue-bg {
+  background-color: #208ffb;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linewidget {
-  position: relative;
-  z-index: 2;
-  padding: 0.1px; /* Force widget margins to stay inside of the container */
+.jp-RenderedText pre .ansi-magenta-bg {
+  background-color: #d160c4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-widget {}
+.jp-RenderedText pre .ansi-cyan-bg {
+  background-color: #60c6c8;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rtl pre { direction: rtl; }
+.jp-RenderedText pre .ansi-white-bg {
+  background-color: #c5c1b4;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-code {
-  outline: none;
+.jp-RenderedText pre .ansi-black-intense-fg {
+  color: #282c36;
 }
 
-/* Force content-box sizing for the elements where we expect it */
-.CodeMirror-scroll,
-.CodeMirror-sizer,
-.CodeMirror-gutter,
-.CodeMirror-gutters,
-.CodeMirror-linenumber {
-  -moz-box-sizing: content-box;
-  box-sizing: content-box;
+.jp-RenderedText pre .ansi-red-intense-fg {
+  color: #b22b31;
 }
 
-.CodeMirror-measure {
-  position: absolute;
-  width: 100%;
-  height: 0;
-  overflow: hidden;
-  visibility: hidden;
+.jp-RenderedText pre .ansi-green-intense-fg {
+  color: #007427;
 }
 
-.CodeMirror-cursor {
-  position: absolute;
-  pointer-events: none;
+.jp-RenderedText pre .ansi-yellow-intense-fg {
+  color: #b27d12;
 }
-.CodeMirror-measure pre { position: static; }
 
-div.CodeMirror-cursors {
-  visibility: hidden;
-  position: relative;
-  z-index: 3;
+.jp-RenderedText pre .ansi-blue-intense-fg {
+  color: #0065ca;
 }
-div.CodeMirror-dragcursors {
-  visibility: visible;
+
+.jp-RenderedText pre .ansi-magenta-intense-fg {
+  color: #a03196;
 }
 
-.CodeMirror-focused div.CodeMirror-cursors {
-  visibility: visible;
+.jp-RenderedText pre .ansi-cyan-intense-fg {
+  color: #258f8f;
 }
 
-.CodeMirror-selected { background: #d9d9d9; }
-.CodeMirror-focused .CodeMirror-selected { background: #d7d4f0; }
-.CodeMirror-crosshair { cursor: crosshair; }
-.CodeMirror-line::selection, .CodeMirror-line > span::selection, .CodeMirror-line > span > span::selection { background: #d7d4f0; }
-.CodeMirror-line::-moz-selection, .CodeMirror-line > span::-moz-selection, .CodeMirror-line > span > span::-moz-selection { background: #d7d4f0; }
+.jp-RenderedText pre .ansi-white-intense-fg {
+  color: #a1a6b2;
+}
 
-.cm-searching {
-  background-color: #ffa;
-  background-color: rgba(255, 255, 0, .4);
+.jp-RenderedText pre .ansi-black-intense-bg {
+  background-color: #282c36;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* Used to force a border model for a node */
-.cm-force-border { padding-right: .1px; }
+.jp-RenderedText pre .ansi-red-intense-bg {
+  background-color: #b22b31;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-@media print {
-  /* Hide the cursor when printing */
-  .CodeMirror div.CodeMirror-cursors {
-    visibility: hidden;
-  }
+.jp-RenderedText pre .ansi-green-intense-bg {
+  background-color: #007427;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* See issue #2901 */
-.cm-tab-wrap-hack:after { content: ''; }
+.jp-RenderedText pre .ansi-yellow-intense-bg {
+  background-color: #b27d12;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-/* Help users use markselection to safely style text background */
-span.CodeMirror-selectedtext { background: none; }
+.jp-RenderedText pre .ansi-blue-intense-bg {
+  background-color: #0065ca;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-dialog {
-  position: absolute;
-  left: 0; right: 0;
-  background: inherit;
-  z-index: 15;
-  padding: .1em .8em;
-  overflow: hidden;
-  color: inherit;
+.jp-RenderedText pre .ansi-magenta-intense-bg {
+  background-color: #a03196;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-top {
-  border-bottom: 1px solid #eee;
-  top: 0;
+.jp-RenderedText pre .ansi-cyan-intense-bg {
+  background-color: #258f8f;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-bottom {
-  border-top: 1px solid #eee;
-  bottom: 0;
+.jp-RenderedText pre .ansi-white-intense-bg {
+  background-color: #a1a6b2;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog input {
-  border: none;
-  outline: none;
-  background: transparent;
-  width: 20em;
-  color: inherit;
-  font-family: monospace;
+.jp-RenderedText pre .ansi-default-inverse-fg {
+  color: var(--jp-ui-inverse-font-color0);
 }
 
-.CodeMirror-dialog button {
-  font-size: 70%;
+.jp-RenderedText pre .ansi-default-inverse-bg {
+  background-color: var(--jp-inverse-layout-color0);
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-foldmarker {
-  color: blue;
-  text-shadow: #b9f 1px 1px 2px, #b9f -1px -1px 2px, #b9f 1px -1px 2px, #b9f -1px 1px 2px;
-  font-family: arial;
-  line-height: .3;
-  cursor: pointer;
-}
-.CodeMirror-foldgutter {
-  width: .7em;
-}
-.CodeMirror-foldgutter-open,
-.CodeMirror-foldgutter-folded {
-  cursor: pointer;
+.jp-RenderedText pre .ansi-bold {
+  font-weight: bold;
 }
-.CodeMirror-foldgutter-open:after {
-  content: "\25BE";
+
+.jp-RenderedText pre .ansi-underline {
+  text-decoration: underline;
 }
-.CodeMirror-foldgutter-folded:after {
-  content: "\25B8";
+
+.jp-RenderedText[data-mime-type='application/vnd.jupyter.stderr'] {
+  background: var(--jp-rendermime-error-background);
+  padding-top: var(--jp-code-padding);
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
+| RenderedLatex
 |----------------------------------------------------------------------------*/
 
-.CodeMirror {
-  line-height: var(--jp-code-line-height);
-  font-size: var(--jp-code-font-size);
-  font-family: var(--jp-code-font-family);
-  border: 0;
-  border-radius: 0;
-  height: auto;
-  /* Changed to auto to autogrow */
+.jp-RenderedLatex {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 }
 
-.CodeMirror pre {
-  padding: 0 var(--jp-code-padding);
+/* Left-justify outputs.*/
+.jp-OutputArea-output.jp-RenderedLatex {
+  padding: var(--jp-code-padding);
+  text-align: left;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-dialog {
-  background-color: var(--jp-layout-color0);
+/*-----------------------------------------------------------------------------
+| RenderedHTML
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedHTMLCommon {
   color: var(--jp-content-font-color1);
+  font-family: var(--jp-content-font-family);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
+
+  /* Give a bit more R padding on Markdown text to keep line lengths reasonable */
+  padding-right: 20px;
 }
 
-/* This causes https://github.com/jupyter/jupyterlab/issues/522 */
-/* May not cause it not because we changed it! */
-.CodeMirror-lines {
-  padding: var(--jp-code-padding) 0;
+.jp-RenderedHTMLCommon em {
+  font-style: italic;
 }
 
-.CodeMirror-linenumber {
-  padding: 0 8px;
+.jp-RenderedHTMLCommon strong {
+  font-weight: bold;
 }
 
-.jp-CodeMirrorEditor {
-  cursor: text;
+.jp-RenderedHTMLCommon u {
+  text-decoration: underline;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
+.jp-RenderedHTMLCommon a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
-@media screen and (min-width: 2138px) and (max-width: 4319px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width1) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out less than 33% */
-@media screen and (min-width: 4320px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width2) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror.jp-mod-readOnly .CodeMirror-cursor {
-  display: none;
+/* Headings */
+
+.jp-RenderedHTMLCommon h1,
+.jp-RenderedHTMLCommon h2,
+.jp-RenderedHTMLCommon h3,
+.jp-RenderedHTMLCommon h4,
+.jp-RenderedHTMLCommon h5,
+.jp-RenderedHTMLCommon h6 {
+  line-height: var(--jp-content-heading-line-height);
+  font-weight: var(--jp-content-heading-font-weight);
+  font-style: normal;
+  margin: var(--jp-content-heading-margin-top) 0
+    var(--jp-content-heading-margin-bottom) 0;
 }
 
-.CodeMirror-gutters {
-  border-right: 1px solid var(--jp-border-color2);
-  background-color: var(--jp-layout-color0);
+.jp-RenderedHTMLCommon h1:first-child,
+.jp-RenderedHTMLCommon h2:first-child,
+.jp-RenderedHTMLCommon h3:first-child,
+.jp-RenderedHTMLCommon h4:first-child,
+.jp-RenderedHTMLCommon h5:first-child,
+.jp-RenderedHTMLCommon h6:first-child {
+  margin-top: calc(0.5 * var(--jp-content-heading-margin-top));
 }
 
-.jp-CollaboratorCursor {
-  border-left: 5px solid transparent;
-  border-right: 5px solid transparent;
-  border-top: none;
-  border-bottom: 3px solid;
-  background-clip: content-box;
-  margin-left: -5px;
-  margin-right: -5px;
+.jp-RenderedHTMLCommon h1:last-child,
+.jp-RenderedHTMLCommon h2:last-child,
+.jp-RenderedHTMLCommon h3:last-child,
+.jp-RenderedHTMLCommon h4:last-child,
+.jp-RenderedHTMLCommon h5:last-child,
+.jp-RenderedHTMLCommon h6:last-child {
+  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
 }
 
-.CodeMirror-selectedtext.cm-searching {
-  background-color: var(--jp-search-selected-match-background-color) !important;
-  color: var(--jp-search-selected-match-color) !important;
+.jp-RenderedHTMLCommon h1 {
+  font-size: var(--jp-content-font-size5);
 }
 
-.cm-searching {
-  background-color: var(
-    --jp-search-unselected-match-background-color
-  ) !important;
-  color: var(--jp-search-unselected-match-color) !important;
+.jp-RenderedHTMLCommon h2 {
+  font-size: var(--jp-content-font-size4);
 }
 
-.CodeMirror-focused .CodeMirror-selected {
-  background-color: var(--jp-editor-selected-focused-background);
+.jp-RenderedHTMLCommon h3 {
+  font-size: var(--jp-content-font-size3);
 }
 
-.CodeMirror-selected {
-  background-color: var(--jp-editor-selected-background);
+.jp-RenderedHTMLCommon h4 {
+  font-size: var(--jp-content-font-size2);
 }
 
-.jp-CollaboratorCursor-hover {
-  position: absolute;
-  z-index: 1;
-  transform: translateX(-50%);
-  color: white;
-  border-radius: 3px;
-  padding-left: 4px;
-  padding-right: 4px;
-  padding-top: 1px;
-  padding-bottom: 1px;
-  text-align: center;
-  font-size: var(--jp-ui-font-size1);
-  white-space: nowrap;
+.jp-RenderedHTMLCommon h5 {
+  font-size: var(--jp-content-font-size1);
 }
 
-.jp-CodeMirror-ruler {
-  border-left: 1px dashed var(--jp-border-color2);
+.jp-RenderedHTMLCommon h6 {
+  font-size: var(--jp-content-font-size0);
 }
 
-/**
- * Here is our jupyter theme for CodeMirror syntax highlighting
- * This is used in our marked.js syntax highlighting and CodeMirror itself
- * The string "jupyter" is set in ../codemirror/widget.DEFAULT_CODEMIRROR_THEME
- * This came from the classic notebook, which came form highlight.js/GitHub
- */
+/* Lists */
 
-/**
- * CodeMirror themes are handling the background/color in this way. This works
- * fine for CodeMirror editors outside the notebook, but the notebook styles
- * these things differently.
- */
-.CodeMirror.cm-s-jupyter {
-  background: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-}
+/* stylelint-disable selector-max-type, selector-max-compound-selectors */
 
-/* In the notebook, we want this styling to be handled by its container */
-.jp-CodeConsole .CodeMirror.cm-s-jupyter,
-.jp-Notebook .CodeMirror.cm-s-jupyter {
-  background: transparent;
+.jp-RenderedHTMLCommon ul:not(.list-inline),
+.jp-RenderedHTMLCommon ol:not(.list-inline) {
+  padding-left: 2em;
 }
 
-.cm-s-jupyter .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
-.cm-s-jupyter span.cm-keyword {
-  color: var(--jp-mirror-editor-keyword-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-atom {
-  color: var(--jp-mirror-editor-atom-color);
-}
-.cm-s-jupyter span.cm-number {
-  color: var(--jp-mirror-editor-number-color);
-}
-.cm-s-jupyter span.cm-def {
-  color: var(--jp-mirror-editor-def-color);
-}
-.cm-s-jupyter span.cm-variable {
-  color: var(--jp-mirror-editor-variable-color);
-}
-.cm-s-jupyter span.cm-variable-2 {
-  color: var(--jp-mirror-editor-variable-2-color);
-}
-.cm-s-jupyter span.cm-variable-3 {
-  color: var(--jp-mirror-editor-variable-3-color);
-}
-.cm-s-jupyter span.cm-punctuation {
-  color: var(--jp-mirror-editor-punctuation-color);
-}
-.cm-s-jupyter span.cm-property {
-  color: var(--jp-mirror-editor-property-color);
-}
-.cm-s-jupyter span.cm-operator {
-  color: var(--jp-mirror-editor-operator-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-comment {
-  color: var(--jp-mirror-editor-comment-color);
-  font-style: italic;
-}
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-/* Lists */
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+.jp-DocumentSearch-input {
+  border: none;
+  outline: none;
+  color: var(--jp-ui-font-color0);
+  font-size: var(--jp-ui-font-size1);
+  background-color: var(--jp-layout-color0);
+  font-family: var(--jp-ui-font-family);
+  padding: 2px 1px;
+  resize: none;
+}
 
-.jp-RenderedHTMLCommon ul:not(.list-inline),
-.jp-RenderedHTMLCommon ol:not(.list-inline) {
-  padding-left: 2em;
+.jp-DocumentSearch-overlay {
+  position: absolute;
+  background-color: var(--jp-toolbar-background);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  border-left: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  top: 0;
+  right: 0;
+  z-index: 7;
+  min-width: 405px;
+  padding: 2px;
+  font-size: var(--jp-ui-font-size1);
+
+  --jp-private-document-search-button-height: 20px;
 }
 
-.jp-RenderedHTMLCommon ul {
-  list-style: disc;
+.jp-DocumentSearch-overlay button {
+  background-color: var(--jp-toolbar-background);
+  outline: 0;
 }
 
-.jp-RenderedHTMLCommon ul ul {
-  list-style: square;
+.jp-DocumentSearch-overlay button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon ul ul ul {
-  list-style: circle;
+.jp-DocumentSearch-overlay button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon ol {
-  list-style: decimal;
+.jp-DocumentSearch-overlay-row {
+  display: flex;
+  align-items: center;
+  margin-bottom: 2px;
 }
 
-.jp-RenderedHTMLCommon ol ol {
-  list-style: upper-alpha;
+.jp-DocumentSearch-button-content {
+  display: inline-block;
+  cursor: pointer;
+  box-sizing: border-box;
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon ol ol ol {
-  list-style: lower-alpha;
+.jp-DocumentSearch-button-content svg {
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol {
-  list-style: lower-roman;
+.jp-DocumentSearch-input-wrapper {
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  display: flex;
+  background-color: var(--jp-layout-color0);
+  margin: 2px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol ol {
-  list-style: decimal;
+.jp-DocumentSearch-input-wrapper:focus-within {
+  border-color: var(--jp-cell-editor-active-border-color);
 }
 
-.jp-RenderedHTMLCommon ol,
-.jp-RenderedHTMLCommon ul {
-  margin-bottom: 1em;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper {
+  all: initial;
+  overflow: hidden;
+  display: inline-block;
+  border: none;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon ul ul,
-.jp-RenderedHTMLCommon ul ol,
-.jp-RenderedHTMLCommon ol ul,
-.jp-RenderedHTMLCommon ol ol {
-  margin-bottom: 0em;
+.jp-DocumentSearch-toggle-wrapper {
+  width: 14px;
+  height: 14px;
 }
 
-.jp-RenderedHTMLCommon hr {
-  color: var(--jp-border-color2);
-  background-color: var(--jp-border-color1);
-  margin-top: 1em;
-  margin-bottom: 1em;
+.jp-DocumentSearch-button-wrapper {
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
 }
 
-.jp-RenderedHTMLCommon > pre {
-  margin: 1.5em 2em;
+.jp-DocumentSearch-toggle-wrapper:focus,
+.jp-DocumentSearch-button-wrapper:focus {
+  outline: var(--jp-border-width) solid
+    var(--jp-cell-editor-active-border-color);
+  outline-offset: -1px;
 }
 
-.jp-RenderedHTMLCommon pre,
-.jp-RenderedHTMLCommon code {
-  border: 0;
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  line-height: var(--jp-code-line-height);
-  padding: 0;
-  white-space: pre-wrap;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper,
+.jp-DocumentSearch-button-content:focus {
+  outline: none;
+}
+
+.jp-DocumentSearch-toggle-placeholder {
+  width: 5px;
+}
+
+.jp-DocumentSearch-input-button::before {
+  display: block;
+  padding-top: 100%;
+}
+
+.jp-DocumentSearch-input-button-off {
+  opacity: var(--jp-search-toggle-off-opacity);
 }
 
-.jp-RenderedHTMLCommon :not(pre) > code {
-  background-color: var(--jp-layout-color2);
-  padding: 1px 5px;
+.jp-DocumentSearch-input-button-off:hover {
+  opacity: var(--jp-search-toggle-hover-opacity);
 }
 
-/* Tables */
+.jp-DocumentSearch-input-button-on {
+  opacity: var(--jp-search-toggle-on-opacity);
+}
 
-.jp-RenderedHTMLCommon table {
-  border-collapse: collapse;
-  border-spacing: 0;
-  border: none;
-  color: var(--jp-ui-font-color1);
-  font-size: 12px;
-  table-layout: fixed;
+.jp-DocumentSearch-index-counter {
+  padding-left: 10px;
+  padding-right: 10px;
+  user-select: none;
+  min-width: 35px;
+  display: inline-block;
+}
+
+.jp-DocumentSearch-up-down-wrapper {
+  display: inline-block;
+  padding-right: 2px;
   margin-left: auto;
-  margin-right: auto;
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon thead {
-  border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
-  vertical-align: bottom;
+.jp-DocumentSearch-spacer {
+  margin-left: auto;
 }
 
-.jp-RenderedHTMLCommon td,
-.jp-RenderedHTMLCommon th,
-.jp-RenderedHTMLCommon tr {
-  vertical-align: middle;
-  padding: 0.5em 0.5em;
-  line-height: normal;
-  white-space: normal;
-  max-width: none;
+.jp-DocumentSearch-up-down-wrapper button {
+  outline: 0;
   border: none;
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
+  vertical-align: middle;
+  margin: 1px 5px 2px;
 }
 
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon td,
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon th {
-  max-width: none;
+.jp-DocumentSearch-up-down-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon td,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon th,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon tr {
-  text-align: right;
+.jp-DocumentSearch-up-down-button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon th {
-  font-weight: bold;
+.jp-DocumentSearch-filter-button {
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(odd) {
-  background: var(--jp-layout-color0);
+.jp-DocumentSearch-filter-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(even) {
-  background: var(--jp-rendermime-table-row-background);
+.jp-DocumentSearch-filter-button-enabled {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:hover {
-  background: var(--jp-rendermime-table-row-hover-background);
+.jp-DocumentSearch-filter-button-enabled:hover {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon table {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-options {
+  padding: 0 8px;
+  margin-left: 3px;
+  width: 100%;
+  display: grid;
+  justify-content: start;
+  grid-template-columns: 1fr 1fr;
+  align-items: center;
+  justify-items: stretch;
 }
 
-.jp-RenderedHTMLCommon p {
-  text-align: left;
-  margin: 0px;
+.jp-DocumentSearch-search-filter-disabled {
+  color: var(--jp-ui-font-color2);
 }
 
-.jp-RenderedHTMLCommon p {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-filter {
+  display: flex;
+  align-items: center;
+  user-select: none;
 }
 
-.jp-RenderedHTMLCommon img {
-  -moz-force-broken-image-icon: 1;
+.jp-DocumentSearch-regex-error {
+  color: var(--jp-error-color0);
 }
 
-/* Restrict to direct children as other images could be nested in other content. */
-.jp-RenderedHTMLCommon > img {
-  display: block;
-  margin-left: 0;
-  margin-right: 0;
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button-wrapper {
+  overflow: hidden;
+  display: inline-block;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  margin: auto 2px;
+  padding: 1px 4px;
+  height: calc(var(--jp-private-document-search-button-height) + 2px);
 }
 
-/* Change color behind transparent images if they need it... */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-light-background {
-  background-color: var(--jp-inverse-layout-color1);
+.jp-DocumentSearch-replace-button-wrapper:focus {
+  border: var(--jp-border-width) solid var(--jp-cell-editor-active-border-color);
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-dark-background {
-  background-color: var(--jp-inverse-layout-color1);
+
+.jp-DocumentSearch-replace-button {
+  display: inline-block;
+  text-align: center;
+  cursor: pointer;
+  box-sizing: border-box;
+  color: var(--jp-ui-font-color1);
+
+  /* height - 2 * (padding of wrapper) */
+  line-height: calc(var(--jp-private-document-search-button-height) - 2px);
+  width: 100%;
+  height: 100%;
 }
-/* ...or leave it untouched if they don't */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-dark-background {
+
+.jp-DocumentSearch-replace-button:focus {
+  outline: none;
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-light-background {
+
+.jp-DocumentSearch-replace-wrapper-class {
+  margin-left: 14px;
+  display: flex;
 }
 
-.jp-RenderedHTMLCommon img,
-.jp-RenderedImage img,
-.jp-RenderedHTMLCommon svg,
-.jp-RenderedSVG svg {
-  max-width: 100%;
-  height: auto;
+.jp-DocumentSearch-replace-toggle {
+  border: none;
+  background-color: var(--jp-toolbar-background);
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-RenderedHTMLCommon img.jp-mod-unconfined,
-.jp-RenderedImage img.jp-mod-unconfined,
-.jp-RenderedHTMLCommon svg.jp-mod-unconfined,
-.jp-RenderedSVG svg.jp-mod-unconfined {
-  max-width: none;
+.jp-DocumentSearch-replace-toggle:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon .alert {
-  padding: var(--jp-notebook-padding);
-  border: var(--jp-border-width) solid transparent;
-  border-radius: var(--jp-border-radius);
-  margin-bottom: 1em;
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.cm-editor {
+  line-height: var(--jp-code-line-height);
+  font-size: var(--jp-code-font-size);
+  font-family: var(--jp-code-font-family);
+  border: 0;
+  border-radius: 0;
+  height: auto;
+
+  /* Changed to auto to autogrow */
 }
 
-.jp-RenderedHTMLCommon .alert-info {
-  color: var(--jp-info-color0);
-  background-color: var(--jp-info-color3);
-  border-color: var(--jp-info-color2);
+.cm-editor pre {
+  padding: 0 var(--jp-code-padding);
 }
-.jp-RenderedHTMLCommon .alert-info hr {
-  border-color: var(--jp-info-color3);
+
+.jp-CodeMirrorEditor[data-type='inline'] .cm-dialog {
+  background-color: var(--jp-layout-color0);
+  color: var(--jp-content-font-color1);
 }
-.jp-RenderedHTMLCommon .alert-info > p:last-child,
-.jp-RenderedHTMLCommon .alert-info > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CodeMirrorEditor {
+  cursor: text;
 }
 
-.jp-RenderedHTMLCommon .alert-warning {
-  color: var(--jp-warn-color0);
-  background-color: var(--jp-warn-color3);
-  border-color: var(--jp-warn-color2);
+/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
+@media screen and (min-width: 2138px) and (max-width: 4319px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width1) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning hr {
-  border-color: var(--jp-warn-color3);
+
+/* When zoomed out less than 33% */
+@media screen and (min-width: 4320px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width2) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning > p:last-child,
-.jp-RenderedHTMLCommon .alert-warning > ul:last-child {
-  margin-bottom: 0;
+
+.cm-editor.jp-mod-readOnly .cm-cursor {
+  display: none;
 }
 
-.jp-RenderedHTMLCommon .alert-success {
-  color: var(--jp-success-color0);
-  background-color: var(--jp-success-color3);
-  border-color: var(--jp-success-color2);
+.jp-CollaboratorCursor {
+  border-left: 5px solid transparent;
+  border-right: 5px solid transparent;
+  border-top: none;
+  border-bottom: 3px solid;
+  background-clip: content-box;
+  margin-left: -5px;
+  margin-right: -5px;
 }
-.jp-RenderedHTMLCommon .alert-success hr {
-  border-color: var(--jp-success-color3);
+
+.cm-searching,
+.cm-searching span {
+  /* `.cm-searching span`: we need to override syntax highlighting */
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success > p:last-child,
-.jp-RenderedHTMLCommon .alert-success > ul:last-child {
-  margin-bottom: 0;
+
+.cm-searching::selection,
+.cm-searching span::selection {
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
 
-.jp-RenderedHTMLCommon .alert-danger {
-  color: var(--jp-error-color0);
-  background-color: var(--jp-error-color3);
-  border-color: var(--jp-error-color2);
+.jp-current-match > .cm-searching,
+.jp-current-match > .cm-searching span,
+.cm-searching > .jp-current-match,
+.cm-searching > .jp-current-match span {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger hr {
-  border-color: var(--jp-error-color3);
+
+.jp-current-match > .cm-searching::selection,
+.cm-searching > .jp-current-match::selection,
+.jp-current-match > .cm-searching span::selection {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger > p:last-child,
-.jp-RenderedHTMLCommon .alert-danger > ul:last-child {
-  margin-bottom: 0;
+
+.cm-trailingspace {
+  background-image: url(data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAFCAYAAAB4ka1VAAAAsElEQVQIHQGlAFr/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA7+r3zKmT0/+pk9P/7+r3zAAAAAAAAAAABAAAAAAAAAAA6OPzM+/q9wAAAAAA6OPzMwAAAAAAAAAAAgAAAAAAAAAAGR8NiRQaCgAZIA0AGR8NiQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQyoYJ/SY80UAAAAASUVORK5CYII=);
+  background-position: center left;
+  background-repeat: repeat-x;
 }
 
-.jp-RenderedHTMLCommon blockquote {
-  margin: 1em 2em;
-  padding: 0 1em;
-  border-left: 5px solid var(--jp-border-color2);
+.jp-CollaboratorCursor-hover {
+  position: absolute;
+  z-index: 1;
+  transform: translateX(-50%);
+  color: white;
+  border-radius: 3px;
+  padding-left: 4px;
+  padding-right: 4px;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  text-align: center;
+  font-size: var(--jp-ui-font-size1);
+  white-space: nowrap;
 }
 
-a.jp-InternalAnchorLink {
-  visibility: hidden;
-  margin-left: 8px;
-  color: var(--md-blue-800);
+.jp-CodeMirror-ruler {
+  border-left: 1px dashed var(--jp-border-color2);
 }
 
-h1:hover .jp-InternalAnchorLink,
-h2:hover .jp-InternalAnchorLink,
-h3:hover .jp-InternalAnchorLink,
-h4:hover .jp-InternalAnchorLink,
-h5:hover .jp-InternalAnchorLink,
-h6:hover .jp-InternalAnchorLink {
-  visibility: visible;
+/* Styles for shared cursors (remote cursor locations and selected ranges) */
+.jp-CodeMirrorEditor .cm-ySelectionCaret {
+  position: relative;
+  border-left: 1px solid black;
+  margin-left: -1px;
+  margin-right: -1px;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon kbd {
-  background-color: var(--jp-rendermime-table-row-background);
-  border: 1px solid var(--jp-border-color0);
-  border-bottom-color: var(--jp-border-color2);
-  border-radius: 3px;
-  box-shadow: inset 0 -1px 0 rgba(0, 0, 0, 0.25);
-  display: inline-block;
-  font-size: 0.8em;
-  line-height: 1em;
-  padding: 0.2em 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionCaret > .cm-ySelectionInfo {
+  white-space: nowrap;
+  position: absolute;
+  top: -1.15em;
+  padding-bottom: 0.05em;
+  left: -1px;
+  font-size: 0.95em;
+  font-family: var(--jp-ui-font-family);
+  font-weight: bold;
+  line-height: normal;
+  user-select: none;
+  color: white;
+  padding-left: 2px;
+  padding-right: 2px;
+  z-index: 101;
+  transition: opacity 0.3s ease-in-out;
 }
 
-/* Most direct children of .jp-RenderedHTMLCommon have a margin-bottom of 1.0.
- * At the bottom of cells this is a bit too much as there is also spacing
- * between cells. Going all the way to 0 gets too tight between markdown and
- * code cells.
- */
-.jp-RenderedHTMLCommon > *:last-child {
-  margin-bottom: 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionInfo {
+  transition-delay: 0.7s;
+  opacity: 0;
+}
+
+.jp-CodeMirrorEditor .cm-ySelectionCaret:hover > .cm-ySelectionInfo {
+  opacity: 1;
+  transition-delay: 0s;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12474,31 +4978,36 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser {
+.jp-FileBrowser .jp-SidePanel-content {
   display: flex;
   flex-direction: column;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
 }
 
 .jp-FileBrowser-toolbar.jp-Toolbar {
+  flex-wrap: wrap;
+  row-gap: 12px;
   border-bottom: none;
   height: auto;
-  margin: var(--jp-toolbar-header-margin);
+  margin: 8px 12px 0;
   box-shadow: none;
+  padding: 0;
+  justify-content: flex-start;
+}
+
+.jp-FileBrowser-Panel {
+  flex: 1 1 auto;
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-BreadCrumbs {
   flex: 0 0 auto;
-  margin: 8px 12px 8px 12px;
+  margin: 8px 12px;
 }
 
 .jp-BreadCrumbs-item {
-  margin: 0px 2px;
-  padding: 0px 2px;
+  margin: 0 2px;
+  padding: 0 2px;
   border-radius: var(--jp-border-radius);
   cursor: pointer;
 }
@@ -12508,7 +5017,7 @@
 }
 
 .jp-BreadCrumbs-item:first-child {
-  margin-left: 0px;
+  margin-left: 0;
 }
 
 .jp-BreadCrumbs-item.jp-mod-dropTarget {
@@ -12520,45 +5029,24 @@
 | Buttons
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  padding: 0px;
-  margin: 8px 12px 0px 12px;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  justify-content: flex-start;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-Toolbar-item {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item {
   flex: 0 0 auto;
-  padding-left: 0px;
+  padding-left: 0;
   padding-right: 2px;
+  align-items: center;
+  height: unset;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-ToolbarButtonComponent {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item .jp-ToolbarButtonComponent {
   width: 40px;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent {
-  width: 72px;
-  background: var(--jp-brand-color1);
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent
-  .jp-icon3 {
-  fill: white;
-}
-
 /*-----------------------------------------------------------------------------
 | Other styles
 |----------------------------------------------------------------------------*/
 
 .jp-FileDialog.jp-mod-conflict input {
-  color: red;
+  color: var(--jp-error-color1);
 }
 
 .jp-FileDialog .jp-new-name-title {
@@ -12569,10 +5057,12 @@
   display: none;
 }
 
-.jp-FileBrowser-filterBox {
-  padding: 0px;
-  flex: 0 0 auto;
-  margin: 8px 12px 0px 12px;
+.jp-FileSize-hidden {
+  display: none;
+}
+
+.jp-FileBrowser .lm-AccordionPanel > h3:first-child {
+  display: none;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12590,6 +5080,7 @@
   flex: 0 0 auto;
   display: flex;
   flex-direction: row;
+  align-items: center;
   overflow: hidden;
   border-top: var(--jp-border-width) solid var(--jp-border-color2);
   border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
@@ -12598,7 +5089,7 @@
 }
 
 .jp-DirListing-headerItem {
-  padding: 4px 12px 2px 12px;
+  padding: 4px 12px 2px;
   font-weight: 500;
 }
 
@@ -12616,10 +5107,16 @@
   text-align: right;
 }
 
+.jp-DirListing-headerItem.jp-id-filesize {
+  flex: 0 0 75px;
+  border-left: var(--jp-border-width) solid var(--jp-border-color2);
+  text-align: right;
+}
+
 .jp-id-narrow {
   display: none;
   flex: 0 0 5px;
-  padding: 4px 4px;
+  padding: 4px;
   border-left: var(--jp-border-width) solid var(--jp-border-color2);
   text-align: right;
   color: var(--jp-border-color2);
@@ -12654,6 +5151,10 @@
   font-weight: bold;
 }
 
+.jp-DirListing-content .jp-DirListing-item.jp-mod-selected mark {
+  color: var(--jp-ui-inverse-font-color0);
+}
+
 /* Style the directory listing content when a user drops a file to upload */
 .jp-DirListing.jp-mod-native-drop .jp-DirListing-content {
   outline: 5px dashed rgba(128, 128, 128, 0.5);
@@ -12664,6 +5165,7 @@
 .jp-DirListing-item {
   display: flex;
   flex-direction: row;
+  align-items: center;
   padding: 4px 12px;
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12671,12 +5173,46 @@
   user-select: none;
 }
 
+.jp-DirListing-checkboxWrapper {
+  /* Increases hit area of checkbox. */
+  padding: 4px;
+}
+
+.jp-DirListing-header
+  .jp-DirListing-checkboxWrapper
+  + .jp-DirListing-headerItem {
+  padding-left: 4px;
+}
+
+.jp-DirListing-content .jp-DirListing-checkboxWrapper {
+  position: relative;
+  left: -4px;
+  margin: -4px 0 -4px -8px;
+}
+
+.jp-DirListing-checkboxWrapper.jp-mod-visible {
+  visibility: visible;
+}
+
+/* For devices that support hovering, hide checkboxes until hovered, selected...
+*/
+@media (hover: hover) {
+  .jp-DirListing-checkboxWrapper {
+    visibility: hidden;
+  }
+
+  .jp-DirListing-item:hover .jp-DirListing-checkboxWrapper,
+  .jp-DirListing-item.jp-mod-selected .jp-DirListing-checkboxWrapper {
+    visibility: visible;
+  }
+}
+
 .jp-DirListing-item[data-is-dot] {
   opacity: 75%;
 }
 
 .jp-DirListing-item.jp-mod-selected {
-  color: white;
+  color: var(--jp-ui-inverse-font-color1);
   background: var(--jp-brand-color1);
 }
 
@@ -12701,25 +5237,48 @@
   user-select: none;
 }
 
+.jp-DirListing-itemText:focus {
+  outline-width: 2px;
+  outline-color: var(--jp-inverse-layout-color1);
+  outline-style: solid;
+  outline-offset: 1px;
+}
+
+.jp-DirListing-item.jp-mod-selected .jp-DirListing-itemText:focus {
+  outline-color: var(--jp-layout-color1);
+}
+
 .jp-DirListing-itemModified {
   flex: 0 0 125px;
   text-align: right;
 }
 
+.jp-DirListing-itemFileSize {
+  flex: 0 0 90px;
+  text-align: right;
+}
+
 .jp-DirListing-editor {
   flex: 1 0 64px;
   outline: none;
   border: none;
+  color: var(--jp-ui-font-color1);
+  background-color: var(--jp-layout-color1);
 }
 
-.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon:before {
-  color: limegreen;
+.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon::before {
+  color: var(--jp-success-color1);
   content: '\25CF';
   font-size: 8px;
   position: absolute;
   left: -8px;
 }
 
+.jp-DirListing-item.jp-mod-running.jp-mod-selected
+  .jp-DirListing-itemIcon::before {
+  color: var(--jp-ui-inverse-font-color1);
+}
+
 .jp-DirListing-item.lm-mod-drag-image,
 .jp-DirListing-item.jp-mod-selected.lm-mod-drag-image {
   font-size: var(--jp-ui-font-size1);
@@ -12728,20 +5287,11 @@
   width: 160px;
   background-color: var(--jp-ui-inverse-font-color2);
   box-shadow: var(--jp-elevation-z2);
-  border-radius: 0px;
+  border-radius: 0;
   color: var(--jp-ui-font-color1);
   transform: translateX(-40%) translateY(-58%);
 }
 
-.jp-DirListing-deadSpace {
-  flex: 1 1 auto;
-  margin: 0;
-  padding: 0;
-  list-style-type: none;
-  overflow: auto;
-  background-color: var(--jp-layout-color1);
-}
-
 .jp-Document {
   min-width: 120px;
   min-height: 120px;
@@ -12753,13 +5303,6 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/*-----------------------------------------------------------------------------
-| Private CSS variables
-|----------------------------------------------------------------------------*/
-
-:root {
-}
-
 /*-----------------------------------------------------------------------------
 | Main OutputArea
 | OutputArea has a list of Outputs
@@ -12770,12 +5313,14 @@
 }
 
 .jp-OutputArea-child {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+  overflow: hidden;
 }
 
 .jp-OutputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-outprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -12784,11 +5329,13 @@
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
   opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12796,7 +5343,14 @@
   user-select: none;
 }
 
+.jp-OutputArea-prompt {
+  display: table-cell;
+  vertical-align: top;
+}
+
 .jp-OutputArea-output {
+  display: table-cell;
+  width: 100%;
   height: auto;
   overflow: auto;
   user-select: text;
@@ -12805,9 +5359,30 @@
   -ms-user-select: text;
 }
 
-.jp-OutputArea-child .jp-OutputArea-output {
-  flex-grow: 1;
-  flex-shrink: 1;
+.jp-OutputArea .jp-RenderedText {
+  padding-left: 1ch;
+}
+
+/**
+ * Prompt overlay.
+ */
+
+.jp-OutputArea-promptOverlay {
+  position: absolute;
+  top: 0;
+  width: var(--jp-cell-prompt-width);
+  height: 100%;
+  opacity: 0.5;
+}
+
+.jp-OutputArea-promptOverlay:hover {
+  background: var(--jp-layout-color2);
+  box-shadow: inset 0 0 1px var(--jp-inverse-layout-color0);
+  cursor: zoom-out;
+}
+
+.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay:hover {
+  cursor: zoom-in;
 }
 
 /**
@@ -12819,7 +5394,7 @@
 }
 
 /*
-When drag events occur, `p-mod-override-cursor` is added to the body.
+When drag events occur, `lm-mod-override-cursor` is added to the body.
 Because iframes steal all cursor events, the following two rules are necessary
 to suppress pointer events while resize drags are occurring. There may be a
 better solution to this problem.
@@ -12828,7 +5403,7 @@
   position: relative;
 }
 
-body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated:before {
+body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated::before {
   content: '';
   position: absolute;
   top: 0;
@@ -12842,8 +5417,8 @@
 
 .jp-OutputArea-output pre {
   border: none;
-  margin: 0px;
-  padding: 0px;
+  margin: 0;
+  padding: 0;
   overflow-x: auto;
   overflow-y: auto;
   word-break: break-all;
@@ -12881,86 +5456,257 @@
   margin: 0;
 }
 
-.jp-OutputArea-output dd {
-  float: left;
-  width: 80%;
-  padding: 0;
-  margin: 0;
+.jp-OutputArea-output dd {
+  float: left;
+  width: 80%;
+  padding: 0;
+  margin: 0;
+}
+
+.jp-TrimmedOutputs pre {
+  background: var(--jp-layout-color3);
+  font-size: calc(var(--jp-code-font-size) * 1.4);
+  text-align: center;
+  text-transform: uppercase;
+}
+
+/* Hide the gutter in case of
+ *  - nested output areas (e.g. in the case of output widgets)
+ *  - mirrored output areas
+ */
+.jp-OutputArea .jp-OutputArea .jp-OutputArea-prompt {
+  display: none;
+}
+
+/* Hide empty lines in the output area, for instance due to cleared widgets */
+.jp-OutputArea-prompt:empty {
+  padding: 0;
+  border: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| executeResult is added to any Output-result for the display of the object
+| returned by a cell
+|----------------------------------------------------------------------------*/
+
+.jp-OutputArea-output.jp-OutputArea-executeResult {
+  margin-left: 0;
+  width: 100%;
+}
+
+/* Text output with the Out[] prompt needs a top padding to match the
+ * alignment of the Out[] prompt itself.
+ */
+.jp-OutputArea-executeResult .jp-RenderedText.jp-OutputArea-output {
+  padding-top: var(--jp-code-padding);
+  border-top: var(--jp-border-width) solid transparent;
+}
+
+/*-----------------------------------------------------------------------------
+| The Stdin output
+|----------------------------------------------------------------------------*/
+
+.jp-Stdin-prompt {
+  color: var(--jp-content-font-color0);
+  padding-right: var(--jp-code-padding);
+  vertical-align: baseline;
+  flex: 0 0 auto;
+}
+
+.jp-Stdin-input {
+  font-family: var(--jp-code-font-family);
+  font-size: inherit;
+  color: inherit;
+  background-color: inherit;
+  width: 42%;
+  min-width: 200px;
+
+  /* make sure input baseline aligns with prompt */
+  vertical-align: baseline;
+
+  /* padding + margin = 0.5em between prompt and cursor */
+  padding: 0 0.25em;
+  margin: 0 0.25em;
+  flex: 0 0 70%;
+}
+
+.jp-Stdin-input::placeholder {
+  opacity: 0;
+}
+
+.jp-Stdin-input:focus {
+  box-shadow: none;
+}
+
+.jp-Stdin-input:focus::placeholder {
+  opacity: 1;
+}
+
+/*-----------------------------------------------------------------------------
+| Output Area View
+|----------------------------------------------------------------------------*/
+
+.jp-LinkedOutputView .jp-OutputArea {
+  height: 100%;
+  display: block;
+}
+
+.jp-LinkedOutputView .jp-OutputArea-output:only-child {
+  height: 100%;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+@media print {
+  .jp-OutputArea-child {
+    break-inside: avoid-page;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-OutputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+
+  .jp-OutputArea-child .jp-OutputArea-output {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+}
+
+/* Trimmed outputs warning */
+.jp-TrimmedOutputs > a {
+  margin: 10px;
+  text-decoration: none;
+  cursor: pointer;
+}
+
+.jp-TrimmedOutputs > a:hover {
+  text-decoration: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Table of Contents
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-toc-active-width: 4px;
+}
+
+.jp-TableOfContents {
+  display: flex;
+  flex-direction: column;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  height: 100%;
+}
+
+.jp-TableOfContents-placeholder {
+  text-align: center;
+}
+
+.jp-TableOfContents-placeholderContent {
+  color: var(--jp-content-font-color2);
+  padding: 8px;
+}
+
+.jp-TableOfContents-placeholderContent > h3 {
+  margin-bottom: var(--jp-content-heading-margin-bottom);
 }
 
-/* Hide the gutter in case of
- *  - nested output areas (e.g. in the case of output widgets)
- *  - mirrored output areas
- */
-.jp-OutputArea .jp-OutputArea .jp-OutputArea-prompt {
-  display: none;
+.jp-TableOfContents .jp-SidePanel-content {
+  overflow-y: auto;
 }
 
-/*-----------------------------------------------------------------------------
-| executeResult is added to any Output-result for the display of the object
-| returned by a cell
-|----------------------------------------------------------------------------*/
+.jp-TableOfContents-tree {
+  margin: 4px;
+}
 
-.jp-OutputArea-output.jp-OutputArea-executeResult {
-  margin-left: 0px;
-  flex: 1 1 auto;
+.jp-TableOfContents ol {
+  list-style-type: none;
 }
 
-/* Text output with the Out[] prompt needs a top padding to match the
- * alignment of the Out[] prompt itself.
- */
-.jp-OutputArea-executeResult .jp-RenderedText.jp-OutputArea-output {
-  padding-top: var(--jp-code-padding);
-  border-top: var(--jp-border-width) solid transparent;
+/* stylelint-disable-next-line selector-max-type */
+.jp-TableOfContents li > ol {
+  /* Align left border with triangle icon center */
+  padding-left: 11px;
 }
 
-/*-----------------------------------------------------------------------------
-| The Stdin output
-|----------------------------------------------------------------------------*/
+.jp-TableOfContents-content {
+  /* left margin for the active heading indicator */
+  margin: 0 0 0 var(--jp-private-toc-active-width);
+  padding: 0;
+  background-color: var(--jp-layout-color1);
+}
 
-.jp-OutputArea-stdin {
-  line-height: var(--jp-code-line-height);
-  padding-top: var(--jp-code-padding);
+.jp-tocItem {
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
+
+.jp-tocItem-heading {
   display: flex;
+  cursor: pointer;
 }
 
-.jp-Stdin-prompt {
-  color: var(--jp-content-font-color0);
-  padding-right: var(--jp-code-padding);
-  vertical-align: baseline;
-  flex: 0 0 auto;
+.jp-tocItem-heading:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-Stdin-input {
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  color: inherit;
-  background-color: inherit;
-  width: 42%;
-  min-width: 200px;
-  /* make sure input baseline aligns with prompt */
-  vertical-align: baseline;
-  /* padding + margin = 0.5em between prompt and cursor */
-  padding: 0em 0.25em;
-  margin: 0em 0.25em;
-  flex: 0 0 70%;
+.jp-tocItem-content {
+  display: block;
+  padding: 4px 0;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  overflow-x: hidden;
 }
 
-.jp-Stdin-input:focus {
-  box-shadow: none;
+.jp-tocItem-collapser {
+  height: 20px;
+  margin: 2px 2px 0;
+  padding: 0;
+  background: none;
+  border: none;
+  cursor: pointer;
 }
 
-/*-----------------------------------------------------------------------------
-| Output Area View
-|----------------------------------------------------------------------------*/
+.jp-tocItem-collapser:hover {
+  background-color: var(--jp-layout-color3);
+}
 
-.jp-LinkedOutputView .jp-OutputArea {
-  height: 100%;
-  display: block;
+/* Active heading indicator */
+
+.jp-tocItem-heading::before {
+  content: ' ';
+  background: transparent;
+  width: var(--jp-private-toc-active-width);
+  height: 24px;
+  position: absolute;
+  left: 0;
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-LinkedOutputView .jp-OutputArea-output:only-child {
-  height: 100%;
+.jp-tocItem-heading.jp-tocItem-active::before {
+  background-color: var(--jp-brand-color1);
+}
+
+.jp-tocItem-heading:hover.jp-tocItem-active::before {
+  background: var(--jp-brand-color0);
+  opacity: 1;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12970,8 +5716,8 @@
 
 .jp-Collapser {
   flex: 0 0 var(--jp-cell-collapser-width);
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -12983,10 +5729,27 @@
   display: block;
   width: 100%;
   box-sizing: border-box;
+
   /* height: 100% doesn't work because the height of its parent is computed from content */
   position: absolute;
-  top: 0px;
-  bottom: 0px;
+  top: 0;
+  bottom: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Hiding collapsers in print mode.
+
+Note: input and output wrappers have "display: block" propery in print mode.
+*/
+
+@media print {
+  .jp-Collapser {
+    display: none;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13001,10 +5764,10 @@
 /* Hidden by zero height by default */
 .jp-CellHeader,
 .jp-CellFooter {
-  height: 0px;
+  height: 0;
   width: 100%;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13021,25 +5784,27 @@
 
 /* All input areas */
 .jp-InputArea {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
   overflow: hidden;
 }
 
 .jp-InputArea-editor {
-  flex: 1 1 auto;
+  display: table-cell;
   overflow: hidden;
-}
+  vertical-align: top;
 
-.jp-InputArea-editor {
   /* This is the non-active, default styling */
   border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
-  border-radius: 0px;
+  border-radius: 0;
   background: var(--jp-cell-editor-background);
 }
 
 .jp-InputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  display: table-cell;
+  vertical-align: top;
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-inprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -13048,12 +5813,13 @@
   line-height: var(--jp-code-line-height);
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
-  opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -13061,6 +5827,21 @@
   user-select: none;
 }
 
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-InputArea-editor {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+
+  .jp-InputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13071,21 +5852,33 @@
 |----------------------------------------------------------------------------*/
 
 .jp-Placeholder {
-  display: flex;
-  flex-direction: row;
-  flex: 1 1 auto;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
 }
 
 .jp-Placeholder-prompt {
+  display: table-cell;
   box-sizing: border-box;
 }
 
 .jp-Placeholder-content {
-  flex: 1 1 auto;
-  border: none;
-  background: transparent;
-  height: 20px;
+  display: table-cell;
+  padding: 4px 6px;
+  border: 1px solid transparent;
+  border-radius: 0;
+  background: none;
   box-sizing: border-box;
+  cursor: pointer;
+}
+
+.jp-Placeholder-contentContainer {
+  display: flex;
+}
+
+.jp-Placeholder-content:hover,
+.jp-InputPlaceholder > .jp-Placeholder-content:hover {
+  border-color: var(--jp-layout-color3);
 }
 
 .jp-Placeholder-content .jp-MoreHorizIcon {
@@ -13097,10 +5890,22 @@
 
 .jp-Placeholder-content .jp-MoreHorizIcon:hover {
   border: 1px solid var(--jp-border-color1);
-  box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.25);
+  box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.25);
   background-color: var(--jp-layout-color0);
 }
 
+.jp-PlaceholderText {
+  white-space: nowrap;
+  overflow-x: hidden;
+  color: var(--jp-inverse-layout-color3);
+  font-family: var(--jp-code-font-family);
+}
+
+.jp-InputPlaceholder > .jp-Placeholder-content {
+  border-color: var(--jp-cell-editor-border-color);
+  background: var(--jp-cell-editor-background);
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13120,7 +5925,7 @@
 
 .jp-Cell {
   padding: var(--jp-cell-padding);
-  margin: 0px;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13134,8 +5939,9 @@
 .jp-Cell-outputWrapper {
   display: flex;
   flex-direction: row;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
+
   /* Added to reveal the box-shadow on the input and output collapsers. */
   overflow: visible;
 }
@@ -13158,51 +5964,185 @@
   background: transparent !important;
 }
 
-.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputCollapser {
-  min-height: var(--jp-cell-collapser-min-height);
+.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputCollapser {
+  min-height: var(--jp-cell-collapser-min-height);
+}
+
+/*-----------------------------------------------------------------------------
+| Output
+|----------------------------------------------------------------------------*/
+
+/* Put a space between input and output when there IS output */
+.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputWrapper {
+  margin-top: 5px;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
+  overflow-y: auto;
+  max-height: 24em;
+  margin-left: var(--jp-private-cell-scrolling-output-offset);
+  resize: vertical;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea[style*='height'] {
+  max-height: unset;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea::after {
+  content: ' ';
+  box-shadow: inset 0 0 6px 2px rgb(0 0 0 / 30%);
+  width: 100%;
+  height: 100%;
+  position: sticky;
+  bottom: 0;
+  top: 0;
+  margin-top: -50%;
+  float: left;
+  display: block;
+  pointer-events: none;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-child {
+  padding-top: 6px;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
+  width: calc(
+    var(--jp-cell-prompt-width) - var(--jp-private-cell-scrolling-output-offset)
+  );
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay {
+  left: calc(-1 * var(--jp-private-cell-scrolling-output-offset));
+}
+
+/*-----------------------------------------------------------------------------
+| CodeCell
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| MarkdownCell
+|----------------------------------------------------------------------------*/
+
+.jp-MarkdownOutput {
+  display: table-cell;
+  width: 100%;
+  margin-top: 0;
+  margin-bottom: 0;
+  padding-left: var(--jp-code-padding);
+}
+
+.jp-MarkdownOutput.jp-RenderedHTMLCommon {
+  overflow: auto;
+}
+
+/* collapseHeadingButton (show always if hiddenCellsButton is _not_ shown) */
+.jp-collapseHeadingButton {
+  display: flex;
+  min-height: var(--jp-cell-collapser-min-height);
+  font-size: var(--jp-code-font-size);
+  position: absolute;
+  background-color: transparent;
+  background-size: 25px;
+  background-repeat: no-repeat;
+  background-position-x: center;
+  background-position-y: top;
+  background-image: var(--jp-icon-caret-down);
+  right: 0;
+  top: 0;
+  bottom: 0;
+}
+
+.jp-collapseHeadingButton.jp-mod-collapsed {
+  background-image: var(--jp-icon-caret-right);
+}
+
+/*
+ set the container font size to match that of content
+ so that the nested collapse buttons have the right size
+*/
+.jp-MarkdownCell .jp-InputPrompt {
+  font-size: var(--jp-content-font-size1);
+}
+
+/*
+  Align collapseHeadingButton with cell top header
+  The font sizes are identical to the ones in packages/rendermime/style/base.css
+*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='1'] {
+  font-size: var(--jp-content-font-size5);
+  background-position-y: calc(0.3 * var(--jp-content-font-size5));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='2'] {
+  font-size: var(--jp-content-font-size4);
+  background-position-y: calc(0.3 * var(--jp-content-font-size4));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='3'] {
+  font-size: var(--jp-content-font-size3);
+  background-position-y: calc(0.3 * var(--jp-content-font-size3));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='4'] {
+  font-size: var(--jp-content-font-size2);
+  background-position-y: calc(0.3 * var(--jp-content-font-size2));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='5'] {
+  font-size: var(--jp-content-font-size1);
+  background-position-y: top;
 }
 
-/*-----------------------------------------------------------------------------
-| Output
-|----------------------------------------------------------------------------*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='6'] {
+  font-size: var(--jp-content-font-size0);
+  background-position-y: top;
+}
 
-/* Put a space between input and output when there IS output */
-.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputWrapper {
-  margin-top: 5px;
+/* collapseHeadingButton (show only on (hover,active) if hiddenCellsButton is shown) */
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-collapseHeadingButton {
+  display: none;
 }
 
-.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
-  overflow-y: auto;
-  max-height: 200px;
-  box-shadow: inset 0 0 6px 2px rgba(0, 0, 0, 0.3);
-  margin-left: var(--jp-private-cell-scrolling-output-offset);
+.jp-Notebook.jp-mod-showHiddenCellsButton
+  :is(.jp-MarkdownCell:hover, .jp-mod-active)
+  .jp-collapseHeadingButton {
+  display: flex;
 }
 
-.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
-  flex: 0 0
-    calc(
-      var(--jp-cell-prompt-width) -
-        var(--jp-private-cell-scrolling-output-offset)
-    );
+/* showHiddenCellsButton (only show if jp-mod-showHiddenCellsButton is set, which
+is a consequence of the showHiddenCellsButton option in Notebook Settings)*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton {
+  margin-left: calc(var(--jp-cell-prompt-width) + 2 * var(--jp-code-padding));
+  margin-top: var(--jp-code-padding);
+  border: 1px solid var(--jp-border-color2);
+  background-color: var(--jp-border-color3) !important;
+  color: var(--jp-content-font-color0) !important;
+  display: flex;
 }
 
-/*-----------------------------------------------------------------------------
-| CodeCell
-|----------------------------------------------------------------------------*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton:hover {
+  background-color: var(--jp-border-color2) !important;
+}
+
+.jp-showHiddenCellsButton {
+  display: none;
+}
 
 /*-----------------------------------------------------------------------------
-| MarkdownCell
+| Printing
 |----------------------------------------------------------------------------*/
 
-.jp-MarkdownOutput {
-  flex: 1 1 auto;
-  margin-top: 0;
-  margin-bottom: 0;
-  padding-left: var(--jp-code-padding);
-}
+/*
+Using block instead of flex to allow the use of the break-inside CSS property for
+cell outputs.
+*/
 
-.jp-MarkdownOutput.jp-RenderedHTMLCommon {
-  overflow: auto;
+@media print {
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13219,6 +6159,10 @@
 | Variables
 |----------------------------------------------------------------------------*/
 
+:root {
+  --jp-notebook-toolbar-padding: 2px 5px 2px 2px;
+}
+
 /*-----------------------------------------------------------------------------
 
 /*-----------------------------------------------------------------------------
@@ -13226,7 +6170,10 @@
 |----------------------------------------------------------------------------*/
 
 .jp-NotebookPanel-toolbar {
-  padding: 2px;
+  padding: var(--jp-notebook-toolbar-padding);
+
+  /* disable paint containment from lumino 2.0 default strict CSS containment */
+  contain: style size !important;
 }
 
 .jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
@@ -13246,30 +6193,199 @@
   top: 5px !important;
 }
 
+.jp-Toolbar-responsive-popup {
+  position: absolute;
+  height: fit-content;
+  display: flex;
+  flex-direction: row;
+  flex-wrap: wrap;
+  justify-content: flex-end;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: var(--jp-notebook-toolbar-padding);
+  z-index: 1;
+  right: 0;
+  top: 0;
+}
+
+.jp-Toolbar > .jp-Toolbar-responsive-opener {
+  margin-left: auto;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Private CSS variables
+| Variables
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-Notebook-ExecutionIndicator {
+  position: relative;
+  display: inline-block;
+  height: 100%;
+  z-index: 9997;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: hidden;
+  height: auto;
+  width: max-content;
+  width: -moz-max-content;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color1);
+  text-align: justify;
+  border-radius: 6px;
+  padding: 0 5px;
+  position: fixed;
+  display: table;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.up {
+  transform: translateX(-50%) translateY(-100%) translateY(-32px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.down {
+  transform: translateX(calc(-100% + 16px)) translateY(5px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.hidden {
+  display: none;
+}
+
+.jp-Notebook-ExecutionIndicator:hover .jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: visible;
+}
+
+.jp-Notebook-ExecutionIndicator span {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  color: var(--jp-ui-font-color1);
+  line-height: 24px;
+  display: block;
+}
+
+.jp-Notebook-ExecutionIndicator-progress-bar {
+  display: flex;
+  justify-content: center;
+  height: 100%;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+/*
+ * Execution indicator
+ */
+.jp-tocItem-content::after {
+  content: '';
+
+  /* Must be identical to form a circle */
+  width: 12px;
+  height: 12px;
+  background: none;
+  border: none;
+  position: absolute;
+  right: 0;
+}
+
+.jp-tocItem-content[data-running='0']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background: none;
+}
+
+.jp-tocItem-content[data-running='1']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background-color: var(--jp-inverse-layout-color3);
+}
+
+.jp-tocItem-content[data-running='0'],
+.jp-tocItem-content[data-running='1'] {
+  margin-right: 12px;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-Notebook-footer {
+  height: 27px;
+  margin-left: calc(
+    var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+      var(--jp-cell-padding)
+  );
+  width: calc(
+    100% -
+      (
+        var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+          var(--jp-cell-padding) + var(--jp-cell-padding)
+      )
+  );
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  color: var(--jp-ui-font-color3);
+  margin-top: 6px;
+  background: none;
+  cursor: pointer;
+}
+
+.jp-Notebook-footer:focus {
+  border-color: var(--jp-cell-editor-active-border-color);
+}
+
+/* For devices that support hovering, hide footer until hover */
+@media (hover: hover) {
+  .jp-Notebook-footer {
+    opacity: 0;
+  }
+
+  .jp-Notebook-footer:focus,
+  .jp-Notebook-footer:hover {
+    opacity: 1;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Imports
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| CSS variables
 |----------------------------------------------------------------------------*/
 
 :root {
+  --jp-side-by-side-output-size: 1fr;
+  --jp-side-by-side-resized-cell: var(--jp-side-by-side-output-size);
   --jp-private-notebook-dragImage-width: 304px;
   --jp-private-notebook-dragImage-height: 36px;
   --jp-private-notebook-selected-color: var(--md-blue-400);
   --jp-private-notebook-active-color: var(--md-green-400);
 }
 
-/*-----------------------------------------------------------------------------
-| Imports
-|----------------------------------------------------------------------------*/
-
 /*-----------------------------------------------------------------------------
 | Notebook
 |----------------------------------------------------------------------------*/
 
+/* stylelint-disable selector-max-class */
+
 .jp-NotebookPanel {
   display: block;
   height: 100%;
@@ -13293,6 +6409,10 @@
   min-height: var(--jp-notebook-scroll-padding);
 }
 
+.jp-MainAreaWidget-ContainStrict .jp-Notebook * {
+  contain: strict;
+}
+
 .jp-Notebook .jp-Cell {
   overflow: visible;
 }
@@ -13334,6 +6454,20 @@
   background: var(--jp-brand-color1);
 }
 
+/* cell is dirty */
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt {
+  color: var(--jp-warn-color1);
+}
+
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt::before {
+  color: var(--jp-warn-color1);
+  content: '•';
+}
+
+.jp-Notebook .jp-Cell.jp-mod-active.jp-mod-dirty .jp-Collapser {
+  background: var(--jp-warn-color1);
+}
+
 /* collapser is hovered */
 .jp-Notebook .jp-Cell .jp-Collapser:hover {
   box-shadow: var(--jp-elevation-z2);
@@ -13383,7 +6517,7 @@
 }
 
 .jp-dragImage {
-  display: flex;
+  display: block;
   flex-direction: row;
   width: var(--jp-private-notebook-dragImage-width);
   height: var(--jp-private-notebook-dragImage-height);
@@ -13393,7 +6527,7 @@
 }
 
 .jp-dragImage-singlePrompt {
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 .jp-dragImage .jp-dragImage-content {
@@ -13407,7 +6541,7 @@
   background: var(--jp-cell-editor-background-color);
   color: var(--jp-content-font-color3);
   text-align: left;
-  margin: 4px 4px 4px 0px;
+  margin: 4px 4px 4px 0;
 }
 
 .jp-dragImage .jp-dragImage-prompt {
@@ -13432,95 +6566,256 @@
   left: 8px;
   background: var(--jp-layout-color2);
   border: var(--jp-border-width) solid var(--jp-input-border-color);
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
+}
+
+/*-----------------------------------------------------------------------------
+| Cell toolbar
+|----------------------------------------------------------------------------*/
+
+.jp-NotebookTools {
+  display: block;
+  min-width: var(--jp-sidebar-min-width);
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+    * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  overflow: auto;
+}
+
+.jp-ActiveCellTool {
+  padding: 12px 0;
+  display: flex;
+}
+
+.jp-ActiveCellTool-Content {
+  flex: 1 1 auto;
+}
+
+.jp-ActiveCellTool .jp-ActiveCellTool-CellContent {
+  background: var(--jp-cell-editor-background);
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  border-radius: 0;
+  min-height: 29px;
+}
+
+.jp-ActiveCellTool .jp-InputPrompt {
+  min-width: calc(var(--jp-cell-prompt-width) * 0.75);
+}
+
+.jp-ActiveCellTool-CellContent > pre {
+  padding: 5px 4px;
+  margin: 0;
+  white-space: normal;
+}
+
+.jp-MetadataEditorTool {
+  flex-direction: column;
+  padding: 12px 0;
+}
+
+.jp-RankedPanel > :not(:first-child) {
+  margin-top: 12px;
+}
+
+.jp-KeySelector select.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+}
+
+.jp-KeySelector label,
+.jp-MetadataEditorTool label,
+.jp-NumberSetter label {
+  line-height: 1.4;
+}
+
+.jp-NotebookTools .jp-select-wrapper {
+  margin-top: 4px;
+  margin-bottom: 0;
+}
+
+.jp-NumberSetter input {
+  width: 100%;
+  margin-top: 4px;
+}
+
+.jp-NotebookTools .jp-Collapse {
+  margin-top: 16px;
+}
+
+/*-----------------------------------------------------------------------------
+| Presentation Mode (.jp-mod-presentationMode)
+|----------------------------------------------------------------------------*/
+
+.jp-mod-presentationMode .jp-Notebook {
+  --jp-content-font-size1: var(--jp-content-presentation-font-size1);
+  --jp-code-font-size: var(--jp-code-presentation-font-size);
+}
+
+.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-InputPrompt,
+.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-OutputPrompt {
+  flex: 0 0 110px;
+}
+
+/*-----------------------------------------------------------------------------
+| Side-by-side Mode (.jp-mod-sideBySide)
+|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-Notebook-cell {
+  margin-top: 3em;
+  margin-bottom: 3em;
+  margin-left: 5%;
+  margin-right: 5%;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell {
+  display: grid;
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-output-size)
+    );
+  grid-template-rows: auto minmax(0, 1fr) auto;
+  grid-template-areas:
+    'header header header'
+    'input handle output'
+    'footer footer footer';
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell.jp-mod-resizedCell {
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-resized-cell)
+    );
 }
 
-/*-----------------------------------------------------------------------------
-| Cell toolbar
-|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellHeader {
+  grid-area: header;
+}
 
-.jp-NotebookTools {
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-inputWrapper {
+  grid-area: input;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-outputWrapper {
+  /* overwrite the default margin (no vertical separation needed in side by side move */
+  margin-top: 0;
+  grid-area: output;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellFooter {
+  grid-area: footer;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle {
+  grid-area: handle;
+  user-select: none;
   display: block;
-  min-width: var(--jp-sidebar-min-width);
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-    * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-  overflow: auto;
+  height: 100%;
+  cursor: ew-resize;
+  padding: 0 var(--jp-cell-padding);
 }
 
-.jp-NotebookTools-tool {
-  padding: 0px 12px 0 12px;
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle::after {
+  content: '';
+  display: block;
+  background: var(--jp-border-color2);
+  height: 100%;
+  width: 5px;
 }
 
-.jp-ActiveCellTool {
-  padding: 12px;
-  background-color: var(--jp-layout-color1);
-  border-top: none !important;
+.jp-mod-sideBySide.jp-Notebook
+  .jp-CodeCell.jp-mod-resizedCell
+  .jp-CellResizeHandle::after {
+  background: var(--jp-border-color0);
 }
 
-.jp-ActiveCellTool .jp-InputArea-prompt {
-  flex: 0 0 auto;
-  padding-left: 0px;
+.jp-CellResizeHandle {
+  display: none;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor {
-  flex: 1 1 auto;
-  background: var(--jp-cell-editor-background);
-  border-color: var(--jp-cell-editor-border-color);
+/*-----------------------------------------------------------------------------
+| Placeholder
+|----------------------------------------------------------------------------*/
+
+.jp-Cell-Placeholder {
+  padding-left: 55px;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor .CodeMirror {
-  background: transparent;
+.jp-Cell-Placeholder-wrapper {
+  background: #fff;
+  border: 1px solid;
+  border-color: #e5e6e9 #dfe0e4 #d0d1d5;
+  border-radius: 4px;
+  -webkit-border-radius: 4px;
+  margin: 10px 15px;
 }
 
-.jp-MetadataEditorTool {
-  flex-direction: column;
-  padding: 12px 0px 12px 0px;
+.jp-Cell-Placeholder-wrapper-inner {
+  padding: 15px;
+  position: relative;
 }
 
-.jp-RankedPanel > :not(:first-child) {
-  margin-top: 12px;
+.jp-Cell-Placeholder-wrapper-body {
+  background-repeat: repeat;
+  background-size: 50% auto;
 }
 
-.jp-KeySelector select.jp-mod-styled {
-  font-size: var(--jp-ui-font-size1);
-  color: var(--jp-ui-font-color0);
-  border: var(--jp-border-width) solid var(--jp-border-color1);
+.jp-Cell-Placeholder-wrapper-body div {
+  background: #f6f7f8;
+  background-image: -webkit-linear-gradient(
+    left,
+    #f6f7f8 0%,
+    #edeef1 20%,
+    #f6f7f8 40%,
+    #f6f7f8 100%
+  );
+  background-repeat: no-repeat;
+  background-size: 800px 104px;
+  height: 104px;
+  position: absolute;
+  right: 15px;
+  left: 15px;
+  top: 15px;
 }
 
-.jp-KeySelector label,
-.jp-MetadataEditorTool label {
-  line-height: 1.4;
+div.jp-Cell-Placeholder-h1 {
+  top: 20px;
+  height: 20px;
+  left: 15px;
+  width: 150px;
 }
 
-.jp-NotebookTools .jp-select-wrapper {
-  margin-top: 4px;
-  margin-bottom: 0px;
+div.jp-Cell-Placeholder-h2 {
+  left: 15px;
+  top: 50px;
+  height: 10px;
+  width: 100px;
 }
 
-.jp-NotebookTools .jp-Collapse {
-  margin-top: 16px;
+div.jp-Cell-Placeholder-content-1,
+div.jp-Cell-Placeholder-content-2,
+div.jp-Cell-Placeholder-content-3 {
+  left: 15px;
+  right: 15px;
+  height: 10px;
 }
 
-/*-----------------------------------------------------------------------------
-| Presentation Mode (.jp-mod-presentationMode)
-|----------------------------------------------------------------------------*/
+div.jp-Cell-Placeholder-content-1 {
+  top: 100px;
+}
 
-.jp-mod-presentationMode .jp-Notebook {
-  --jp-content-font-size1: var(--jp-content-presentation-font-size1);
-  --jp-code-font-size: var(--jp-code-presentation-font-size);
+div.jp-Cell-Placeholder-content-2 {
+  top: 120px;
 }
 
-.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-InputPrompt,
-.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-OutputPrompt {
-  flex: 0 0 110px;
+div.jp-Cell-Placeholder-content-3 {
+  top: 140px;
 }
 
 </style>
-
-    <style type="text/css">
+<style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13576,33 +6871,33 @@
     0.12
   );
   --jp-elevation-z0: none;
-  --jp-elevation-z1: 0px 2px 1px -1px var(--jp-shadow-umbra-color),
-    0px 1px 1px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 3px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z2: 0px 3px 1px -2px var(--jp-shadow-umbra-color),
-    0px 2px 2px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 5px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z4: 0px 2px 4px -1px var(--jp-shadow-umbra-color),
-    0px 4px 5px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 10px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z6: 0px 3px 5px -1px var(--jp-shadow-umbra-color),
-    0px 6px 10px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 18px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z8: 0px 5px 5px -3px var(--jp-shadow-umbra-color),
-    0px 8px 10px 1px var(--jp-shadow-penumbra-color),
-    0px 3px 14px 2px var(--jp-shadow-ambient-color);
-  --jp-elevation-z12: 0px 7px 8px -4px var(--jp-shadow-umbra-color),
-    0px 12px 17px 2px var(--jp-shadow-penumbra-color),
-    0px 5px 22px 4px var(--jp-shadow-ambient-color);
-  --jp-elevation-z16: 0px 8px 10px -5px var(--jp-shadow-umbra-color),
-    0px 16px 24px 2px var(--jp-shadow-penumbra-color),
-    0px 6px 30px 5px var(--jp-shadow-ambient-color);
-  --jp-elevation-z20: 0px 10px 13px -6px var(--jp-shadow-umbra-color),
-    0px 20px 31px 3px var(--jp-shadow-penumbra-color),
-    0px 8px 38px 7px var(--jp-shadow-ambient-color);
-  --jp-elevation-z24: 0px 11px 15px -7px var(--jp-shadow-umbra-color),
-    0px 24px 38px 3px var(--jp-shadow-penumbra-color),
-    0px 9px 46px 8px var(--jp-shadow-ambient-color);
+  --jp-elevation-z1: 0 2px 1px -1px var(--jp-shadow-umbra-color),
+    0 1px 1px 0 var(--jp-shadow-penumbra-color),
+    0 1px 3px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z2: 0 3px 1px -2px var(--jp-shadow-umbra-color),
+    0 2px 2px 0 var(--jp-shadow-penumbra-color),
+    0 1px 5px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z4: 0 2px 4px -1px var(--jp-shadow-umbra-color),
+    0 4px 5px 0 var(--jp-shadow-penumbra-color),
+    0 1px 10px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z6: 0 3px 5px -1px var(--jp-shadow-umbra-color),
+    0 6px 10px 0 var(--jp-shadow-penumbra-color),
+    0 1px 18px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z8: 0 5px 5px -3px var(--jp-shadow-umbra-color),
+    0 8px 10px 1px var(--jp-shadow-penumbra-color),
+    0 3px 14px 2px var(--jp-shadow-ambient-color);
+  --jp-elevation-z12: 0 7px 8px -4px var(--jp-shadow-umbra-color),
+    0 12px 17px 2px var(--jp-shadow-penumbra-color),
+    0 5px 22px 4px var(--jp-shadow-ambient-color);
+  --jp-elevation-z16: 0 8px 10px -5px var(--jp-shadow-umbra-color),
+    0 16px 24px 2px var(--jp-shadow-penumbra-color),
+    0 6px 30px 5px var(--jp-shadow-ambient-color);
+  --jp-elevation-z20: 0 10px 13px -6px var(--jp-shadow-umbra-color),
+    0 20px 31px 3px var(--jp-shadow-penumbra-color),
+    0 8px 38px 7px var(--jp-shadow-ambient-color);
+  --jp-elevation-z24: 0 11px 15px -7px var(--jp-shadow-umbra-color),
+    0 24px 38px 3px var(--jp-shadow-penumbra-color),
+    0 9px 46px 8px var(--jp-shadow-ambient-color);
 
   /* Borders
    *
@@ -13614,6 +6909,7 @@
   --jp-border-color1: var(--md-grey-400);
   --jp-border-color2: var(--md-grey-300);
   --jp-border-color3: var(--md-grey-200);
+  --jp-inverse-border-color: var(--md-grey-600);
   --jp-border-radius: 2px;
 
   /* UI Fonts
@@ -13631,9 +6927,9 @@
   --jp-ui-font-size1: 13px; /* Base font size */
   --jp-ui-font-size2: 1.2em;
   --jp-ui-font-size3: 1.44em;
-
-  --jp-ui-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', Helvetica,
-    Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji', 'Segoe UI Symbol';
+  --jp-ui-font-family: system-ui, -apple-system, blinkmacsystemfont, 'Segoe UI',
+    helvetica, arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
+    'Segoe UI Symbol';
 
   /*
    * Use these font colors against the corresponding main layout colors.
@@ -13676,7 +6972,6 @@
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
   --jp-content-presentation-font-size1: 17px;
-
   --jp-content-heading-line-height: 1;
   --jp-content-heading-margin-top: 1.2em;
   --jp-content-heading-margin-bottom: 0.8em;
@@ -13687,12 +6982,10 @@
   --jp-content-font-color1: rgba(0, 0, 0, 0.87);
   --jp-content-font-color2: rgba(0, 0, 0, 0.54);
   --jp-content-font-color3: rgba(0, 0, 0, 0.38);
-
-  --jp-content-link-color: var(--md-blue-700);
-
-  --jp-content-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI',
-    Helvetica, Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
-    'Segoe UI Symbol';
+  --jp-content-link-color: var(--md-blue-900);
+  --jp-content-font-family: system-ui, -apple-system, blinkmacsystemfont,
+    'Segoe UI', helvetica, arial, sans-serif, 'Apple Color Emoji',
+    'Segoe UI Emoji', 'Segoe UI Symbol';
 
   /*
    * Code Fonts
@@ -13703,7 +6996,7 @@
   --jp-code-font-size: 13px;
   --jp-code-line-height: 1.3077; /* 17px for 13px base */
   --jp-code-padding: 5px; /* 5px for 13px base, codemirror highlighting needs integer px value */
-  --jp-code-font-family-default: Menlo, Consolas, 'DejaVu Sans Mono', monospace;
+  --jp-code-font-family-default: menlo, consolas, 'DejaVu Sans Mono', monospace;
   --jp-code-font-family: var(--jp-code-font-family-default);
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
@@ -13732,7 +7025,7 @@
    * theme these would go from dark to light.
    */
 
-  --jp-inverse-layout-color0: #111111;
+  --jp-inverse-layout-color0: #111;
   --jp-inverse-layout-color1: var(--md-grey-900);
   --jp-inverse-layout-color2: var(--md-grey-800);
   --jp-inverse-layout-color3: var(--md-grey-700);
@@ -13740,62 +7033,57 @@
 
   /* Brand/accent */
 
-  --jp-brand-color0: var(--md-blue-700);
-  --jp-brand-color1: var(--md-blue-500);
+  --jp-brand-color0: var(--md-blue-900);
+  --jp-brand-color1: var(--md-blue-700);
   --jp-brand-color2: var(--md-blue-300);
   --jp-brand-color3: var(--md-blue-100);
   --jp-brand-color4: var(--md-blue-50);
-
-  --jp-accent-color0: var(--md-green-700);
-  --jp-accent-color1: var(--md-green-500);
+  --jp-accent-color0: var(--md-green-900);
+  --jp-accent-color1: var(--md-green-700);
   --jp-accent-color2: var(--md-green-300);
   --jp-accent-color3: var(--md-green-100);
 
   /* State colors (warn, error, success, info) */
 
-  --jp-warn-color0: var(--md-orange-700);
-  --jp-warn-color1: var(--md-orange-500);
+  --jp-warn-color0: var(--md-orange-900);
+  --jp-warn-color1: var(--md-orange-700);
   --jp-warn-color2: var(--md-orange-300);
   --jp-warn-color3: var(--md-orange-100);
-
-  --jp-error-color0: var(--md-red-700);
-  --jp-error-color1: var(--md-red-500);
+  --jp-error-color0: var(--md-red-900);
+  --jp-error-color1: var(--md-red-700);
   --jp-error-color2: var(--md-red-300);
   --jp-error-color3: var(--md-red-100);
-
-  --jp-success-color0: var(--md-green-700);
-  --jp-success-color1: var(--md-green-500);
+  --jp-success-color0: var(--md-green-900);
+  --jp-success-color1: var(--md-green-700);
   --jp-success-color2: var(--md-green-300);
   --jp-success-color3: var(--md-green-100);
-
-  --jp-info-color0: var(--md-cyan-700);
-  --jp-info-color1: var(--md-cyan-500);
+  --jp-info-color0: var(--md-cyan-900);
+  --jp-info-color1: var(--md-cyan-700);
   --jp-info-color2: var(--md-cyan-300);
   --jp-info-color3: var(--md-cyan-100);
 
   /* Cell specific styles */
 
   --jp-cell-padding: 5px;
-
   --jp-cell-collapser-width: 8px;
   --jp-cell-collapser-min-height: 20px;
   --jp-cell-collapser-not-active-hover-opacity: 0.6;
-
   --jp-cell-editor-background: var(--md-grey-100);
   --jp-cell-editor-border-color: var(--md-grey-300);
   --jp-cell-editor-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-cell-editor-active-background: var(--jp-layout-color0);
   --jp-cell-editor-active-border-color: var(--jp-brand-color1);
-
   --jp-cell-prompt-width: 64px;
   --jp-cell-prompt-font-family: var(--jp-code-font-family-default);
-  --jp-cell-prompt-letter-spacing: 0px;
+  --jp-cell-prompt-letter-spacing: 0;
   --jp-cell-prompt-opacity: 1;
   --jp-cell-prompt-not-active-opacity: 0.5;
   --jp-cell-prompt-not-active-font-color: var(--md-grey-700);
+
   /* A custom blend of MD grey and blue 600
    * See https://meyerweb.com/eric/tools/color-blend/#546E7A:1E88E5:5:hex */
   --jp-cell-inprompt-font-color: #307fc1;
+
   /* A custom blend of MD grey and orange 600
    * https://meyerweb.com/eric/tools/color-blend/#546E7A:F4511E:5:hex */
   --jp-cell-outprompt-font-color: #bf5b3d;
@@ -13836,17 +7124,21 @@
   --jp-toolbar-border-color: var(--jp-border-color1);
   --jp-toolbar-micro-height: 8px;
   --jp-toolbar-background: var(--jp-layout-color1);
-  --jp-toolbar-box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.24);
-  --jp-toolbar-header-margin: 4px 4px 0px 4px;
+  --jp-toolbar-box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.24);
+  --jp-toolbar-header-margin: 4px 4px 0 4px;
   --jp-toolbar-active-background: var(--md-grey-300);
 
+  /* Statusbar specific styles */
+
+  --jp-statusbar-height: 24px;
+
   /* Input field styles */
 
   --jp-input-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-input-active-background: var(--jp-layout-color1);
   --jp-input-hover-background: var(--jp-layout-color1);
   --jp-input-background: var(--md-grey-100);
-  --jp-input-border-color: var(--jp-border-color1);
+  --jp-input-border-color: var(--jp-inverse-border-color);
   --jp-input-active-border-color: var(--jp-brand-color1);
   --jp-input-active-box-shadow-color: rgba(19, 124, 189, 0.3);
 
@@ -13863,15 +7155,15 @@
   --jp-mirror-editor-number-color: #080;
   --jp-mirror-editor-def-color: #00f;
   --jp-mirror-editor-variable-color: var(--md-grey-900);
-  --jp-mirror-editor-variable-2-color: #05a;
+  --jp-mirror-editor-variable-2-color: rgb(0, 54, 109);
   --jp-mirror-editor-variable-3-color: #085;
   --jp-mirror-editor-punctuation-color: #05a;
   --jp-mirror-editor-property-color: #05a;
-  --jp-mirror-editor-operator-color: #aa22ff;
+  --jp-mirror-editor-operator-color: #a2f;
   --jp-mirror-editor-comment-color: #408080;
   --jp-mirror-editor-string-color: #ba2121;
   --jp-mirror-editor-string-2-color: #708;
-  --jp-mirror-editor-meta-color: #aa22ff;
+  --jp-mirror-editor-meta-color: #a2f;
   --jp-mirror-editor-qualifier-color: #555;
   --jp-mirror-editor-builtin-color: #008000;
   --jp-mirror-editor-bracket-color: #997;
@@ -13883,6 +7175,20 @@
   --jp-mirror-editor-error-color: #f00;
   --jp-mirror-editor-hr-color: #999;
 
+  /*
+    RTC user specific colors.
+    These colors are used for the cursor, username in the editor,
+    and the icon of the user.
+  */
+
+  --jp-collaborator-color1: #ffad8e;
+  --jp-collaborator-color2: #dac83d;
+  --jp-collaborator-color3: #72dd76;
+  --jp-collaborator-color4: #00e4d0;
+  --jp-collaborator-color5: #45d4ff;
+  --jp-collaborator-color6: #e2b1ff;
+  --jp-collaborator-color7: #ff9de6;
+
   /* Vega extension styles */
 
   --jp-vega-background: white;
@@ -13908,37 +7214,94 @@
   --jp-icon-contrast-color1: var(--md-green-600);
   --jp-icon-contrast-color2: var(--md-pink-600);
   --jp-icon-contrast-color3: var(--md-blue-600);
+
+  /* Button colors */
+  --jp-accept-color-normal: var(--md-blue-700);
+  --jp-accept-color-hover: var(--md-blue-800);
+  --jp-accept-color-active: var(--md-blue-900);
+  --jp-warn-color-normal: var(--md-red-700);
+  --jp-warn-color-hover: var(--md-red-800);
+  --jp-warn-color-active: var(--md-red-900);
+  --jp-reject-color-normal: var(--md-grey-600);
+  --jp-reject-color-hover: var(--md-grey-700);
+  --jp-reject-color-active: var(--md-grey-800);
+
+  /* File or activity icons and switch semantic variables */
+  --jp-jupyter-icon-color: #f37626;
+  --jp-notebook-icon-color: #f37626;
+  --jp-json-icon-color: var(--md-orange-700);
+  --jp-console-icon-background-color: var(--md-blue-700);
+  --jp-console-icon-color: white;
+  --jp-terminal-icon-background-color: var(--md-grey-800);
+  --jp-terminal-icon-color: var(--md-grey-200);
+  --jp-text-editor-icon-color: var(--md-grey-700);
+  --jp-inspector-icon-color: var(--md-grey-700);
+  --jp-switch-color: var(--md-grey-400);
+  --jp-switch-true-position-color: var(--md-orange-900);
 }
 </style>
-
 <style type="text/css">
-a.anchor-link {
-   display: none;
+/* Force rendering true colors when outputing to pdf */
+* {
+  -webkit-print-color-adjust: exact;
 }
-.highlight  {
-    margin: 0.4em;
+
+/* Misc */
+a.anchor-link {
+  display: none;
 }
 
 /* Input area styling */
 .jp-InputArea {
-    overflow: hidden;
+  overflow: hidden;
 }
 
 .jp-InputArea-editor {
-    overflow: hidden;
+  overflow: hidden;
+}
+
+.cm-editor.cm-s-jupyter .highlight pre {
+/* weird, but --jp-code-padding defined to be 5px but 4px horizontal padding is hardcoded for pre.cm-line */
+  padding: var(--jp-code-padding) 4px;
+  margin: 0;
+
+  font-family: inherit;
+  font-size: inherit;
+  line-height: inherit;
+  color: inherit;
+
+}
+
+.jp-OutputArea-output pre {
+  line-height: inherit;
+  font-family: inherit;
+}
+
+.jp-RenderedText pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+}
+
+/* Hiding the collapser by default */
+.jp-Collapser {
+  display: none;
+}
+
+@page {
+    margin: 0.5in; /* Margin for each printed piece of paper */
 }
 
 @media print {
-  body {
-    margin: 0;
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
   }
 }
 </style>
-
 <!-- Load mathjax -->
-    <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-MML-AM_CHTML-full,Safe"> </script>
-    <!-- MathJax configuration -->
-    <script type="text/x-mathjax-config">
+<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"> </script>
+<!-- MathJax configuration -->
+<script type="text/x-mathjax-config">
     init_mathjax = function() {
         if (window.MathJax) {
         // MathJax loaded
@@ -13956,48 +7319,514 @@
                     processEnvironments: true
                 },
                 displayAlign: 'center',
+                messageStyle: 'none',
                 CommonHTML: {
-                    linebreaks: { 
-                    automatic: true 
-                    }
-                },
-                "HTML-CSS": {
-                    linebreaks: { 
-                    automatic: true 
+                    linebreaks: {
+                    automatic: true
                     }
                 }
             });
-        
+
             MathJax.Hub.Queue(["Typeset", MathJax.Hub]);
         }
     }
     init_mathjax();
     </script>
-    <!-- End of mathjax configuration --></head>
+<!-- End of mathjax configuration --><script type="module">
+  document.addEventListener("DOMContentLoaded", async () => {
+    const diagrams = document.querySelectorAll(".jp-Mermaid > pre.mermaid");
+    // do not load mermaidjs if not needed
+    if (!diagrams.length) {
+      return;
+    }
+    const mermaid = (await import("https://cdnjs.cloudflare.com/ajax/libs/mermaid/11.10.0/mermaid.esm.min.mjs")).default;
+    const elkUrl = "https://cdnjs.cloudflare.com/ajax/libs/mermaid-layout-elk/0.1.9/mermaid-layout-elk.esm.min.mjs";
+    if(elkUrl) {
+      const elkLayouts = (await import(elkUrl)).default;
+      mermaid.registerLayoutLoaders(elkLayouts);
+    }
+    const parser = new DOMParser();
+
+    mermaid.initialize({
+      maxTextSize: 100000,
+      maxEdges: 100000,
+      startOnLoad: false,
+      fontFamily: window
+        .getComputedStyle(document.body)
+        .getPropertyValue("--jp-ui-font-family"),
+      theme: document.querySelector("body[data-jp-theme-light='true']")
+        ? "default"
+        : "dark",
+    });
+
+    let _nextMermaidId = 0;
+
+    function makeMermaidImage(svg) {
+      const img = document.createElement("img");
+      const doc = parser.parseFromString(svg, "image/svg+xml");
+      const svgEl = doc.querySelector("svg");
+      const { maxWidth } = svgEl?.style || {};
+      const firstTitle = doc.querySelector("title");
+      const firstDesc = doc.querySelector("desc");
+
+      img.setAttribute("src", `data:image/svg+xml,${encodeURIComponent(svg)}`);
+      if (maxWidth) {
+        img.width = parseInt(maxWidth);
+      }
+      if (firstTitle) {
+        img.setAttribute("alt", firstTitle.textContent);
+      }
+      if (firstDesc) {
+        const caption = document.createElement("figcaption");
+        caption.className = "sr-only";
+        caption.textContent = firstDesc.textContent;
+        return [img, caption];
+      }
+      return [img];
+    }
+
+    async function makeMermaidError(text) {
+      let errorMessage = "";
+      try {
+        await mermaid.parse(text);
+      } catch (err) {
+        errorMessage = `${err}`;
+      }
+
+      const result = document.createElement("details");
+      result.className = 'jp-RenderedMermaid-Details';
+      const summary = document.createElement("summary");
+      summary.className = 'jp-RenderedMermaid-Summary';
+      const pre = document.createElement("pre");
+      const code = document.createElement("code");
+      code.innerText = text;
+      pre.appendChild(code);
+      summary.appendChild(pre);
+      result.appendChild(summary);
+
+      const warning = document.createElement("pre");
+      warning.innerText = errorMessage;
+      result.appendChild(warning);
+      return [result];
+    }
+
+    async function renderOneMarmaid(src) {
+      const id = `jp-mermaid-${_nextMermaidId++}`;
+      const parent = src.parentNode;
+      let raw = src.textContent.trim();
+      const el = document.createElement("div");
+      el.style.visibility = "hidden";
+      document.body.appendChild(el);
+      let results = null;
+      let output = null;
+      try {
+        let { svg } = await mermaid.render(id, raw, el);
+        svg = cleanMermaidSvg(svg);
+        results = makeMermaidImage(svg);
+        output = document.createElement("figure");
+        results.map(output.appendChild, output);
+      } catch (err) {
+        parent.classList.add("jp-mod-warning");
+        results = await makeMermaidError(raw);
+        output = results[0];
+      } finally {
+        el.remove();
+      }
+      parent.classList.add("jp-RenderedMermaid");
+      parent.appendChild(output);
+    }
+
+
+    /**
+     * Post-process to ensure mermaid diagrams contain only valid SVG and XHTML.
+     */
+    function cleanMermaidSvg(svg) {
+      svg = svg.replace(RE_VOID_ELEMENT, replaceVoidElement);
+      return `${SVG_XML_HEADER}${svg}`;
+    }
+
+
+    /**
+     * A regular expression for all void elements, which may include attributes and
+     * a slash.
+     *
+     * @see https://developer.mozilla.org/en-US/docs/Glossary/Void_element
+     *
+     * Of these, only `<br>` is generated by Mermaid in place of `\n`,
+     * but _any_ "malformed" tag will break the SVG rendering entirely.
+     */
+    const RE_VOID_ELEMENT =
+      /<\s*(area|base|br|col|embed|hr|img|input|link|meta|param|source|track|wbr)\s*([^>]*?)\s*>/gi;
+
+    /**
+     * Ensure a void element is closed with a slash, preserving any attributes.
+     */
+    function replaceVoidElement(match, tag, rest) {
+      rest = rest.trim();
+      if (!rest.endsWith('/')) {
+        rest = `${rest} /`;
+      }
+      return `<${tag} ${rest}>`;
+    }
+
+
+  /**
+   * Named HTML entities with their decimal equivalent codes.
+   *
+   * @see https://www.w3.org/TR/WD-html40-970708/sgml/entities.html
+   * */
+  const HTML_ENTITIES = `<!ENTITY Aacute "&#193;">
+<!ENTITY aacute "&#225;">
+<!ENTITY Acirc "&#194;">
+<!ENTITY acirc "&#226;">
+<!ENTITY acute "&#180;">
+<!ENTITY AElig "&#198;">
+<!ENTITY aelig "&#230;">
+<!ENTITY Agrave "&#192;">
+<!ENTITY agrave "&#224;">
+<!ENTITY alefsym "&#8501;">
+<!ENTITY Alpha "&#913;">
+<!ENTITY alpha "&#945;">
+<!ENTITY amp "&#38;">
+<!ENTITY and "&#8869;">
+<!ENTITY ang "&#8736;">
+<!ENTITY Aring "&#197;">
+<!ENTITY aring "&#229;">
+<!ENTITY asymp "&#8776;">
+<!ENTITY Atilde "&#195;">
+<!ENTITY atilde "&#227;">
+<!ENTITY Auml "&#196;">
+<!ENTITY auml "&#228;">
+<!ENTITY bdquo "&#8222;">
+<!ENTITY Beta "&#914;">
+<!ENTITY beta "&#946;">
+<!ENTITY brvbar "&#166;">
+<!ENTITY bull "&#8226;">
+<!ENTITY cap "&#8745;">
+<!ENTITY Ccedil "&#199;">
+<!ENTITY ccedil "&#231;">
+<!ENTITY cedil "&#184;">
+<!ENTITY cent "&#162;">
+<!ENTITY Chi "&#935;">
+<!ENTITY chi "&#967;">
+<!ENTITY circ "&#710;">
+<!ENTITY clubs "&#9827;">
+<!ENTITY cong "&#8773;">
+<!ENTITY copy "&#169;">
+<!ENTITY crarr "&#8629;">
+<!ENTITY cup "&#8746;">
+<!ENTITY curren "&#164;">
+<!ENTITY dagger "&#8224;">
+<!ENTITY Dagger "&#8225;">
+<!ENTITY darr "&#8595;">
+<!ENTITY dArr "&#8659;">
+<!ENTITY deg "&#176;">
+<!ENTITY Delta "&#916;">
+<!ENTITY delta "&#948;">
+<!ENTITY diams "&#9830;">
+<!ENTITY divide "&#247;">
+<!ENTITY Eacute "&#201;">
+<!ENTITY eacute "&#233;">
+<!ENTITY Ecirc "&#202;">
+<!ENTITY ecirc "&#234;">
+<!ENTITY Egrave "&#200;">
+<!ENTITY egrave "&#232;">
+<!ENTITY empty "&#8709;">
+<!ENTITY emsp "&#8195;">
+<!ENTITY ensp "&#8194;">
+<!ENTITY epsilon "&#949;">
+<!ENTITY Epsilon "&#917;">
+<!ENTITY equiv "&#8801;">
+<!ENTITY Eta "&#919;">
+<!ENTITY eta "&#951;">
+<!ENTITY ETH "&#208;">
+<!ENTITY eth "&#240;">
+<!ENTITY Euml "&#203;">
+<!ENTITY euml "&#235;">
+<!ENTITY exist "&#8707;">
+<!ENTITY fnof "&#402;">
+<!ENTITY forall "&#8704;">
+<!ENTITY frac12 "&#189;">
+<!ENTITY frac14 "&#188;">
+<!ENTITY frac34 "&#190;">
+<!ENTITY frasl "&#8260;">
+<!ENTITY Gamma "&#915;">
+<!ENTITY gamma "&#947;">
+<!ENTITY ge "&#8805;">
+<!ENTITY gt "&#62;">
+<!ENTITY harr "&#8596;">
+<!ENTITY hArr "&#8660;">
+<!ENTITY hearts "&#9829;">
+<!ENTITY hellip "&#8230;">
+<!ENTITY Iacute "&#205;">
+<!ENTITY iacute "&#237;">
+<!ENTITY Icirc "&#206;">
+<!ENTITY icirc "&#238;">
+<!ENTITY iexcl "&#161;">
+<!ENTITY Igrave "&#204;">
+<!ENTITY igrave "&#236;">
+<!ENTITY image "&#8465;">
+<!ENTITY infin "&#8734;">
+<!ENTITY int "&#8747;">
+<!ENTITY Iota "&#921;">
+<!ENTITY iota "&#953;">
+<!ENTITY iquest "&#191;">
+<!ENTITY isin "&#8712;">
+<!ENTITY Iuml "&#207;">
+<!ENTITY iuml "&#239;">
+<!ENTITY Kappa "&#922;">
+<!ENTITY kappa "&#954;">
+<!ENTITY Lambda "&#923;">
+<!ENTITY lambda "&#955;">
+<!ENTITY lang "&#9001;">
+<!ENTITY laquo "&#171;">
+<!ENTITY larr "&#8592;">
+<!ENTITY lArr "&#8656;">
+<!ENTITY lceil "&#8968;">
+<!ENTITY ldquo "&#8220;">
+<!ENTITY le "&#8804;">
+<!ENTITY lfloor "&#8970;">
+<!ENTITY lowast "&#8727;">
+<!ENTITY loz "&#9674;">
+<!ENTITY lrm "&#8206;">
+<!ENTITY lsaquo "&#8249;">
+<!ENTITY lsquo "&#8216;">
+<!ENTITY lt "&#60;">
+<!ENTITY macr "&#175;">
+<!ENTITY mdash "&#8212;">
+<!ENTITY micro "&#181;">
+<!ENTITY middot "&#183;">
+<!ENTITY minus "&#8722;">
+<!ENTITY Mu "&#924;">
+<!ENTITY mu "&#956;">
+<!ENTITY nabla "&#8711;">
+<!ENTITY nbsp "&#160;">
+<!ENTITY ndash "&#8211;">
+<!ENTITY ne "&#8800;">
+<!ENTITY ni "&#8715;">
+<!ENTITY not "&#172;">
+<!ENTITY notin "&#8713;">
+<!ENTITY nsub "&#8836;">
+<!ENTITY Ntilde "&#209;">
+<!ENTITY ntilde "&#241;">
+<!ENTITY Nu "&#925;">
+<!ENTITY nu "&#957;">
+<!ENTITY Oacute "&#211;">
+<!ENTITY oacute "&#243;">
+<!ENTITY Ocirc "&#212;">
+<!ENTITY ocirc "&#244;">
+<!ENTITY OElig "&#338;">
+<!ENTITY oelig "&#339;">
+<!ENTITY Ograve "&#210;">
+<!ENTITY ograve "&#242;">
+<!ENTITY oline "&#8254;">
+<!ENTITY Omega "&#937;">
+<!ENTITY omega "&#969;">
+<!ENTITY Omicron "&#927;">
+<!ENTITY omicron "&#959;">
+<!ENTITY oplus "&#8853;">
+<!ENTITY or "&#8870;">
+<!ENTITY ordf "&#170;">
+<!ENTITY ordm "&#186;">
+<!ENTITY Oslash "&#216;">
+<!ENTITY oslash "&#248;">
+<!ENTITY Otilde "&#213;">
+<!ENTITY otilde "&#245;">
+<!ENTITY otimes "&#8855;">
+<!ENTITY Ouml "&#214;">
+<!ENTITY ouml "&#246;">
+<!ENTITY para "&#182;">
+<!ENTITY part "&#8706;">
+<!ENTITY permil "&#8240;">
+<!ENTITY perp "&#8869;">
+<!ENTITY Phi "&#934;">
+<!ENTITY phi "&#966;">
+<!ENTITY Pi "&#928;">
+<!ENTITY pi "&#960;">
+<!ENTITY piv "&#982;">
+<!ENTITY plusmn "&#177;">
+<!ENTITY pound "&#163;">
+<!ENTITY prime "&#8242;">
+<!ENTITY Prime "&#8243;">
+<!ENTITY prod "&#8719;">
+<!ENTITY prop "&#8733;">
+<!ENTITY Psi "&#936;">
+<!ENTITY psi "&#968;">
+<!ENTITY quot "&#34;">
+<!ENTITY radic "&#8730;">
+<!ENTITY rang "&#9002;">
+<!ENTITY raquo "&#187;">
+<!ENTITY rarr "&#8594;">
+<!ENTITY rArr "&#8658;">
+<!ENTITY rceil "&#8969;">
+<!ENTITY rdquo "&#8221;">
+<!ENTITY real "&#8476;">
+<!ENTITY reg "&#174;">
+<!ENTITY rfloor "&#8971;">
+<!ENTITY Rho "&#929;">
+<!ENTITY rho "&#961;">
+<!ENTITY rlm "&#8207;">
+<!ENTITY rsaquo "&#8250;">
+<!ENTITY rsquo "&#8217;">
+<!ENTITY sbquo "&#8218;">
+<!ENTITY Scaron "&#352;">
+<!ENTITY scaron "&#353;">
+<!ENTITY sdot "&#8901;">
+<!ENTITY sect "&#167;">
+<!ENTITY shy "&#173;">
+<!ENTITY Sigma "&#931;">
+<!ENTITY sigma "&#963;">
+<!ENTITY sigmaf "&#962;">
+<!ENTITY sim "&#8764;">
+<!ENTITY spades "&#9824;">
+<!ENTITY sub "&#8834;">
+<!ENTITY sube "&#8838;">
+<!ENTITY sum "&#8721;">
+<!ENTITY sup "&#8835;">
+<!ENTITY sup1 "&#185;">
+<!ENTITY sup2 "&#178;">
+<!ENTITY sup3 "&#179;">
+<!ENTITY supe "&#8839;">
+<!ENTITY szlig "&#223;">
+<!ENTITY Tau "&#932;">
+<!ENTITY tau "&#964;">
+<!ENTITY there4 "&#8756;">
+<!ENTITY Theta "&#920;">
+<!ENTITY theta "&#952;">
+<!ENTITY thetasym "&#977;">
+<!ENTITY thinsp "&#8201;">
+<!ENTITY THORN "&#222;">
+<!ENTITY thorn "&#254;">
+<!ENTITY tilde "&#732;">
+<!ENTITY times "&#215;">
+<!ENTITY trade "&#8482;">
+<!ENTITY Uacute "&#218;">
+<!ENTITY uacute "&#250;">
+<!ENTITY uarr "&#8593;">
+<!ENTITY uArr "&#8657;">
+<!ENTITY Ucirc "&#219;">
+<!ENTITY ucirc "&#251;">
+<!ENTITY Ugrave "&#217;">
+<!ENTITY ugrave "&#249;">
+<!ENTITY uml "&#168;">
+<!ENTITY upsih "&#978;">
+<!ENTITY Upsilon "&#933;">
+<!ENTITY upsilon "&#965;">
+<!ENTITY Uuml "&#220;">
+<!ENTITY uuml "&#252;">
+<!ENTITY weierp "&#8472;">
+<!ENTITY Xi "&#926;">
+<!ENTITY xi "&#958;">
+<!ENTITY Yacute "&#221;">
+<!ENTITY yacute "&#253;">
+<!ENTITY yen "&#165;">
+<!ENTITY Yuml "&#376;">
+<!ENTITY yuml "&#255;">
+<!ENTITY Zeta "&#918;">
+<!ENTITY zeta "&#950;">
+<!ENTITY zwj "&#8205;">
+<!ENTITY zwnj "&#8204;">`.replace(/\n/g, ' ');
+
+  /**
+   * A reasonably strict xml declaration.
+   */
+  const XML_DECL = '<?xml version="1.0" standalone="no"?>';
+
+  /**
+   * The beginning of the XML doctype declaration.
+   */
+  const DOCTYPE_START = `<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd" [`;
+
+  /**
+   * The end of the XML docype declaration.
+   */
+  const DOCTYPE_END = ']>';
+
+  /**
+   * A full header for an SVG XML document.
+   */
+  const SVG_XML_HEADER = `${XML_DECL}
+    ${DOCTYPE_START}${HTML_ENTITIES}${DOCTYPE_END}`;
+
+    void Promise.all([...diagrams].map(renderOneMarmaid));
+  });
+</script>
+<style>
+  .jp-Mermaid:not(.jp-RenderedMermaid) {
+    display: none;
+  }
+
+  .jp-RenderedMermaid {
+    overflow: auto;
+    display: flex;
+  }
+
+  .jp-RenderedMermaid.jp-mod-warning {
+    width: auto;
+    padding: 0.5em;
+    margin-top: 0.5em;
+    border: var(--jp-border-width) solid var(--jp-warn-color2);
+    border-radius: var(--jp-border-radius);
+    color: var(--jp-ui-font-color1);
+    font-size: var(--jp-ui-font-size1);
+    white-space: pre-wrap;
+    word-wrap: break-word;
+  }
+
+  .jp-RenderedMermaid figure {
+    margin: 0;
+    overflow: auto;
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid img {
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid-Details > pre {
+    margin-top: 1em;
+  }
+
+  .jp-RenderedMermaid-Summary {
+    color: var(--jp-warn-color2);
+  }
+
+  .jp-RenderedMermaid:not(.jp-mod-warning) pre {
+    display: none;
+  }
+
+  .jp-RenderedMermaid-Summary > pre {
+    display: inline-block;
+    white-space: normal;
+  }
+</style>
+<!-- End of mermaid configuration --></head>
 <body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
-<div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+<main><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs" id="cell-id=621ac272">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[1]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [1]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">torch</span>
-<span class="kn">import</span> <span class="nn">molgrid</span>
-<span class="kn">from</span> <span class="nn">molgrid.openbabel</span> <span class="kn">import</span> <span class="n">pybel</span> <span class="k">as</span> <span class="n">pybel</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">torch</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">molgrid</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">molgrid.openbabel</span><span class="w"> </span><span class="kn">import</span> <span class="n">pybel</span> <span class="k">as</span> <span class="n">pybel</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs" id="cell-id=945dc357">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[2]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [2]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">sdf</span> <span class="o">=</span> <span class="s1">&#39;&#39;&#39;lig.pdb</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">sdf</span> <span class="o">=</span> <span class="s1">'''lig.pdb</span>
 
 
 <span class="s1"> 28 31  0  0  0  0  0  0  0  0999 V2000</span>
@@ -14067,181 +7896,138 @@
 <span class="s1">&gt; &lt;minimizedRMSD&gt;</span>
 <span class="s1">0.64667</span>
 
-<span class="s1">$$$$&#39;&#39;&#39;</span>
+<span class="s1">$$$$'''</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
 </div>
-<div class="jp-Cell-inputWrapper"><div class="jp-InputPrompt jp-InputArea-prompt">
-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+</div>
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell" id="cell-id=6c349f3f">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>Create a CoordinateSet from a pybel molecule and use that to grid.</p>
-
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs" id="cell-id=f005a721">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[3]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [3]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">mol</span> <span class="o">=</span> <span class="n">pybel</span><span class="o">.</span><span class="n">readstring</span><span class="p">(</span><span class="s1">&#39;sdf&#39;</span><span class="p">,</span><span class="n">sdf</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">mol</span> <span class="o">=</span> <span class="n">pybel</span><span class="o">.</span><span class="n">readstring</span><span class="p">(</span><span class="s1">'sdf'</span><span class="p">,</span><span class="n">sdf</span><span class="p">)</span>
 <span class="n">c</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">CoordinateSet</span><span class="p">(</span><span class="n">mol</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs" id="cell-id=fa52cf15">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[4]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [4]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">()</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">()</span>
 <span class="n">dims</span> <span class="o">=</span> <span class="n">gmaker</span><span class="o">.</span><span class="n">grid_dimensions</span><span class="p">(</span><span class="n">molgrid</span><span class="o">.</span><span class="n">defaultGninaLigandTyper</span><span class="o">.</span><span class="n">num_types</span><span class="p">())</span>
 <span class="n">gridtensor</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="n">dims</span><span class="p">,</span><span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs" id="cell-id=31469c70">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[5]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [5]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span><span class="o">.</span><span class="n">forward</span><span class="p">(</span><span class="n">c</span><span class="o">.</span><span class="n">center</span><span class="p">(),</span><span class="n">c</span><span class="p">,</span><span class="n">gridtensor</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span><span class="o">.</span><span class="n">forward</span><span class="p">(</span><span class="n">c</span><span class="o">.</span><span class="n">center</span><span class="p">(),</span><span class="n">c</span><span class="p">,</span><span class="n">gridtensor</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell" id="cell-id=126f0ac6">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[6]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [6]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">matplotlib.pyplot</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">plt</span>
 <span class="n">plt</span><span class="o">.</span><span class="n">matshow</span><span class="p">(</span><span class="n">gridtensor</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">24</span><span class="p">,:,:])</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
 <div class="jp-Cell-outputWrapper">
-
-
+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
 <div class="jp-OutputArea jp-Cell-outputArea">
-
-<div class="jp-OutputArea-child">
-
-    
-    <div class="jp-OutputPrompt jp-OutputArea-prompt">Out[6]:</div>
-
-
-
-
-<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain">
+<div class="jp-OutputArea-child jp-OutputArea-executeResult">
+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[6]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
 <pre style=" white-space: pre;">&lt;matplotlib.image.AxesImage at 0x7f165b1b2070&gt;</pre>
 </div>
-
 </div>
-
 <div class="jp-OutputArea-child">
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-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[7]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [7]:</div>
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l2ckgB00wVtNBoRL0h6oXr8tqSbF78kAN3EikEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUIASI4QAJIjBIDkCAEgOUdE905mfyDpt5Iul3SkaydeXE2tval1S82tfSnVfXVErGn1RFdD4JOT2rsiYmPXT7wImlp7U+uWmlt7U+rm7QCQHCEAJNerENjao/MuhqbW3tS6pebW3oi6ezInAGDp4O0AkBwhACRHCADJEQJAcoQAkNz/AcRSWYY0ldZpAAAAAElFTkSuQmCC
+"/>
 </div>
-
 </div>
-
 </div>
-
 </div>
-
 </div>
+</main>
 
 </div>
 </body>
-
-
-
-
-
-
-
 </html>
diff --git a/docs/_tutorials/train_basic_CNN_with_PyTorch.html b/docs/_tutorials/train_basic_CNN_with_PyTorch.html
index e29adc12..c0a60339 100644
--- a/docs/_tutorials/train_basic_CNN_with_PyTorch.html
+++ b/docs/_tutorials/train_basic_CNN_with_PyTorch.html
@@ -6,15 +6,11 @@
 ---
 
 <!DOCTYPE html>
-<html>
-<head><meta charset="utf-8" />
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-
-<title>train_basic_CNN_with_PyTorch</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
-
-
-
 
+<html lang="en">
+<head><meta charset="utf-8"/>
+<meta content="width=device-width, initial-scale=1.0" name="viewport"/>
+<title>Notebook</title><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.1.10/require.min.js"></script>
 <style type="text/css">
     pre { line-height: 125%; }
 td.linenos .normal { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; }
@@ -43,6 +39,7 @@
 .highlight .m { color: var(--jp-mirror-editor-number-color) } /* Literal.Number */
 .highlight .s { color: var(--jp-mirror-editor-string-color) } /* Literal.String */
 .highlight .ow { color: var(--jp-mirror-editor-operator-color); font-weight: bold } /* Operator.Word */
+.highlight .pm { color: var(--jp-mirror-editor-punctuation-color) } /* Punctuation.Marker */
 .highlight .w { color: var(--jp-mirror-editor-variable-color) } /* Text.Whitespace */
 .highlight .mb { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Bin */
 .highlight .mf { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Float */
@@ -64,9 +61,6 @@
 .highlight .ss { color: var(--jp-mirror-editor-string-color) } /* Literal.String.Symbol */
 .highlight .il { color: var(--jp-mirror-editor-number-color) } /* Literal.Number.Integer.Long */
   </style>
-
-
-
 <style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
@@ -97,71 +91,6 @@
   scrollbar-width: thin;
 }
 
-/*
- * Webkit scrollbar styling
- */
-
-/* use standard opaque scrollbars for most nodes */
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-corner {
-  background: var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-thumb {
-  background: rgb(var(--jp-scrollbar-thumb-color));
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-right: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-[data-jp-theme-scrollbars='true'] ::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-  border-bottom: var(--jp-scrollbar-endpad) solid
-    var(--jp-scrollbar-background-color);
-}
-
-/* for code nodes, use a transparent style of scrollbar */
-
-[data-jp-theme-scrollbars='true'] .CodeMirror-hscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true'] .CodeMirror-vscrollbar::-webkit-scrollbar,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-corner,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-corner {
-  background-color: transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-thumb,
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-thumb {
-  background: rgba(var(--jp-scrollbar-thumb-color), 0.5);
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid transparent;
-  border-right: var(--jp-scrollbar-endpad) solid transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid transparent;
-  border-bottom: var(--jp-scrollbar-endpad) solid transparent;
-}
-
 /* tiny scrollbar */
 
 .jp-scrollbar-tiny::-webkit-scrollbar,
@@ -176,17 +105,17 @@
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:horizontal {
-  border-left: 0px solid transparent;
-  border-right: 0px solid transparent;
+  border-left: 0 solid transparent;
+  border-right: 0 solid transparent;
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:vertical {
-  border-top: 0px solid transparent;
-  border-bottom: 0px solid transparent;
+  border-top: 0 solid transparent;
+  border-bottom: 0 solid transparent;
 }
 
 /*
- * Phosphor
+ * Lumino
  */
 
 .lm-ScrollBar[data-orientation='horizontal'] {
@@ -274,6 +203,11 @@
   background-size: 17px;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -283,21 +217,33 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Widget, /* </DEPRECATED> */
 .lm-Widget {
   box-sizing: border-box;
   position: relative;
   overflow: hidden;
-  cursor: default;
 }
 
-
-/* <DEPRECATED> */ .p-Widget.p-mod-hidden, /* </DEPRECATED> */
 .lm-Widget.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.lm-AccordionPanel[data-orientation='horizontal'] > .lm-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -307,8 +253,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-CommandPalette, /* </DEPRECATED> */
 .lm-CommandPalette {
   display: flex;
   flex-direction: column;
@@ -318,14 +262,10 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-search, /* </DEPRECATED> */
 .lm-CommandPalette-search {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-content, /* </DEPRECATED> */
 .lm-CommandPalette-content {
   flex: 1 1 auto;
   margin: 0;
@@ -335,42 +275,30 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-header, /* </DEPRECATED> */
 .lm-CommandPalette-header {
   overflow: hidden;
   white-space: nowrap;
   text-overflow: ellipsis;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-item, /* </DEPRECATED> */
 .lm-CommandPalette-item {
   display: flex;
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemIcon, /* </DEPRECATED> */
 .lm-CommandPalette-itemIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemContent, /* </DEPRECATED> */
 .lm-CommandPalette-itemContent {
   flex: 1 1 auto;
   overflow: hidden;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemShortcut, /* </DEPRECATED> */
 .lm-CommandPalette-itemShortcut {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemLabel, /* </DEPRECATED> */
 .lm-CommandPalette-itemLabel {
   overflow: hidden;
   white-space: nowrap;
@@ -378,32 +306,37 @@
 }
 
 .lm-close-icon {
-	border:1px solid transparent;
+  border: 1px solid transparent;
   background-color: transparent;
   position: absolute;
-	z-index:1;
-	right:3%;
-	top: 0;
-	bottom: 0;
-	margin: auto;
-	padding: 7px 0;
-	display: none;
-	vertical-align: middle;
+  z-index: 1;
+  right: 3%;
+  top: 0;
+  bottom: 0;
+  margin: auto;
+  padding: 7px 0;
+  display: none;
+  vertical-align: middle;
   outline: 0;
   cursor: pointer;
 }
 .lm-close-icon:after {
-	content: "X";
-	display: block;
-	width: 15px;
-	height: 15px;
-	text-align: center;
-	color:#000;
-	font-weight: normal;
-	font-size: 12px;
-	cursor: pointer;
+  content: 'X';
+  display: block;
+  width: 15px;
+  height: 15px;
+  text-align: center;
+  color: #000;
+  font-weight: normal;
+  font-size: 12px;
+  cursor: pointer;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -413,38 +346,26 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-DockPanel, /* </DEPRECATED> */
 .lm-DockPanel {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-widget, /* </DEPRECATED> */
 .lm-DockPanel-widget {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-tabBar, /* </DEPRECATED> */
 .lm-DockPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle, /* </DEPRECATED> */
 .lm-DockPanel-handle {
   z-index: 2;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle:after, /* </DEPRECATED> */
 .lm-DockPanel-handle:after {
   position: absolute;
   top: 0;
@@ -454,56 +375,41 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal'] {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical'] {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal']:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical']:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay, /* </DEPRECATED> */
 .lm-DockPanel-overlay {
   z-index: 3;
   box-sizing: border-box;
   pointer-events: none;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-overlay.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -513,8 +419,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Menu, /* </DEPRECATED> */
 .lm-Menu {
   z-index: 10000;
   position: absolute;
@@ -528,8 +432,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-content, /* </DEPRECATED> */
 .lm-Menu-content {
   margin: 0;
   padding: 0;
@@ -537,47 +439,36 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-item, /* </DEPRECATED> */
 .lm-Menu-item {
   display: table-row;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-item.p-mod-hidden,
-.p-Menu-item.p-mod-collapsed,
-/* </DEPRECATED> */
 .lm-Menu-item.lm-mod-hidden,
 .lm-Menu-item.lm-mod-collapsed {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-itemIcon,
-.p-Menu-itemSubmenuIcon,
-/* </DEPRECATED> */
 .lm-Menu-itemIcon,
 .lm-Menu-itemSubmenuIcon {
   display: table-cell;
   text-align: center;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemLabel, /* </DEPRECATED> */
 .lm-Menu-itemLabel {
   display: table-cell;
   text-align: left;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemShortcut, /* </DEPRECATED> */
 .lm-Menu-itemShortcut {
   display: table-cell;
   text-align: right;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -587,8 +478,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-MenuBar, /* </DEPRECATED> */
 .lm-MenuBar {
   outline: none;
   -webkit-user-select: none;
@@ -597,8 +486,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-MenuBar-content, /* </DEPRECATED> */
 .lm-MenuBar-content {
   margin: 0;
   padding: 0;
@@ -607,22 +494,20 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p--MenuBar-item, /* </DEPRECATED> */
 .lm-MenuBar-item {
   box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */
-.p-MenuBar-itemIcon,
-.p-MenuBar-itemLabel,
-/* </DEPRECATED> */
 .lm-MenuBar-itemIcon,
 .lm-MenuBar-itemLabel {
   display: inline-block;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -632,8 +517,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-ScrollBar, /* </DEPRECATED> */
 .lm-ScrollBar {
   display: flex;
   -webkit-user-select: none;
@@ -642,31 +525,19 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='horizontal'] {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='vertical'] {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-button, /* </DEPRECATED> */
 .lm-ScrollBar-button {
   box-sizing: border-box;
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-track, /* </DEPRECATED> */
 .lm-ScrollBar-track {
   box-sizing: border-box;
   position: relative;
@@ -674,13 +545,16 @@
   flex: 1 1 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-thumb, /* </DEPRECATED> */
 .lm-ScrollBar-thumb {
   box-sizing: border-box;
   position: absolute;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -690,26 +564,18 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-SplitPanel-child, /* </DEPRECATED> */
 .lm-SplitPanel-child {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle, /* </DEPRECATED> */
 .lm-SplitPanel-handle {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-SplitPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle:after, /* </DEPRECATED> */
 .lm-SplitPanel-handle:after {
   position: absolute;
   top: 0;
@@ -719,42 +585,31 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -764,8 +619,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabBar, /* </DEPRECATED> */
 .lm-TabBar {
   display: flex;
   -webkit-user-select: none;
@@ -774,20 +627,16 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='horizontal'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] {
   flex-direction: row;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='vertical'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] {
   flex-direction: column;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-content, /* </DEPRECATED> */
 .lm-TabBar-content {
   margin: 0;
   padding: 0;
@@ -796,94 +645,77 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='horizontal'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] > .lm-TabBar-content {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='vertical'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] > .lm-TabBar-content {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar-tab {
   display: flex;
   flex-direction: row;
   box-sizing: border-box;
   overflow: hidden;
+  touch-action: none; /* Disable native Drag/Drop */
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar-tabIcon,
-.p-TabBar-tabCloseIcon,
-/* </DEPRECATED> */
 .lm-TabBar-tabIcon,
 .lm-TabBar-tabCloseIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tabLabel, /* </DEPRECATED> */
 .lm-TabBar-tabLabel {
   flex: 1 1 auto;
   overflow: hidden;
   white-space: nowrap;
 }
 
-
 .lm-TabBar-tabInput {
   user-select: all;
   width: 100%;
-  box-sizing : border-box;
+  box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab.p-mod-hidden, /* </DEPRECATED> */
 .lm-TabBar-tab.lm-mod-hidden {
   display: none !important;
 }
 
+.lm-TabBar-addButton.lm-mod-hidden {
+  display: none !important;
+}
 
-/* <DEPRECATED> */ .p-TabBar.p-mod-dragging .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab {
   position: relative;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='horizontal'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='horizontal'] .lm-TabBar-tab {
   left: 0;
   transition: left 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='vertical'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='vertical'] .lm-TabBar-tab {
   top: 0;
   transition: top 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging .p-TabBar-tab.p-mod-dragging,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab.lm-mod-dragging {
   transition: none;
 }
 
+.lm-TabBar-tabLabel .lm-TabBar-tabInput {
+  user-select: all;
+  width: 100%;
+  box-sizing: border-box;
+  background: inherit;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -893,18 +725,19 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabPanel-tabBar, /* </DEPRECATED> */
 .lm-TabPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-TabPanel-stackedPanel, /* </DEPRECATED> */
 .lm-TabPanel-stackedPanel {
   z-index: 0;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -914,10242 +747,3020 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-@charset "UTF-8";
-html{
-  -webkit-box-sizing:border-box;
-          box-sizing:border-box; }
-
-*,
-*::before,
-*::after{
-  -webkit-box-sizing:inherit;
-          box-sizing:inherit; }
-
-body{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none;
-  color:#182026;
-  font-family:-apple-system, "BlinkMacSystemFont", "Segoe UI", "Roboto", "Oxygen", "Ubuntu", "Cantarell", "Open Sans", "Helvetica Neue", "Icons16", sans-serif; }
-
-p{
-  margin-bottom:10px;
-  margin-top:0; }
-
-small{
-  font-size:12px; }
-
-strong{
-  font-weight:600; }
-
-::-moz-selection{
-  background:rgba(125, 188, 255, 0.6); }
-
-::selection{
-  background:rgba(125, 188, 255, 0.6); }
-.bp3-heading{
-  color:#182026;
-  font-weight:600;
-  margin:0 0 10px;
-  padding:0; }
-  .bp3-dark .bp3-heading{
-    color:#f5f8fa; }
-
-h1.bp3-heading, .bp3-running-text h1{
-  font-size:36px;
-  line-height:40px; }
-
-h2.bp3-heading, .bp3-running-text h2{
-  font-size:28px;
-  line-height:32px; }
-
-h3.bp3-heading, .bp3-running-text h3{
-  font-size:22px;
-  line-height:25px; }
-
-h4.bp3-heading, .bp3-running-text h4{
-  font-size:18px;
-  line-height:21px; }
-
-h5.bp3-heading, .bp3-running-text h5{
-  font-size:16px;
-  line-height:19px; }
-
-h6.bp3-heading, .bp3-running-text h6{
-  font-size:14px;
-  line-height:16px; }
-.bp3-ui-text{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none; }
-
-.bp3-monospace-text{
-  font-family:monospace;
-  text-transform:none; }
-
-.bp3-text-muted{
-  color:#5c7080; }
-  .bp3-dark .bp3-text-muted{
-    color:#a7b6c2; }
-
-.bp3-text-disabled{
-  color:rgba(92, 112, 128, 0.6); }
-  .bp3-dark .bp3-text-disabled{
-    color:rgba(167, 182, 194, 0.6); }
-
-.bp3-text-overflow-ellipsis{
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal; }
-.bp3-running-text{
-  font-size:14px;
-  line-height:1.5; }
-  .bp3-running-text h1{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h1{
-      color:#f5f8fa; }
-  .bp3-running-text h2{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h2{
-      color:#f5f8fa; }
-  .bp3-running-text h3{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h3{
-      color:#f5f8fa; }
-  .bp3-running-text h4{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h4{
-      color:#f5f8fa; }
-  .bp3-running-text h5{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h5{
-      color:#f5f8fa; }
-  .bp3-running-text h6{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h6{
-      color:#f5f8fa; }
-  .bp3-running-text hr{
-    border:none;
-    border-bottom:1px solid rgba(16, 22, 26, 0.15);
-    margin:20px 0; }
-    .bp3-dark .bp3-running-text hr{
-      border-color:rgba(255, 255, 255, 0.15); }
-  .bp3-running-text p{
-    margin:0 0 10px;
-    padding:0; }
-
-.bp3-text-large{
-  font-size:16px; }
-
-.bp3-text-small{
-  font-size:12px; }
-a{
-  color:#106ba3;
-  text-decoration:none; }
-  a:hover{
-    color:#106ba3;
-    cursor:pointer;
-    text-decoration:underline; }
-  a .bp3-icon, a .bp3-icon-standard, a .bp3-icon-large{
-    color:inherit; }
-  a code,
-  .bp3-dark a code{
-    color:inherit; }
-  .bp3-dark a,
-  .bp3-dark a:hover{
-    color:#48aff0; }
-    .bp3-dark a .bp3-icon, .bp3-dark a .bp3-icon-standard, .bp3-dark a .bp3-icon-large,
-    .bp3-dark a:hover .bp3-icon,
-    .bp3-dark a:hover .bp3-icon-standard,
-    .bp3-dark a:hover .bp3-icon-large{
-      color:inherit; }
-.bp3-running-text code, .bp3-code{
-  font-family:monospace;
-  text-transform:none;
-  background:rgba(255, 255, 255, 0.7);
-  border-radius:3px;
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2);
-  color:#5c7080;
-  font-size:smaller;
-  padding:2px 5px; }
-  .bp3-dark .bp3-running-text code, .bp3-running-text .bp3-dark code, .bp3-dark .bp3-code{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#a7b6c2; }
-  .bp3-running-text a > code, a > .bp3-code{
-    color:#137cbd; }
-    .bp3-dark .bp3-running-text a > code, .bp3-running-text .bp3-dark a > code, .bp3-dark a > .bp3-code{
-      color:inherit; }
-
-.bp3-running-text pre, .bp3-code-block{
-  font-family:monospace;
-  text-transform:none;
-  background:rgba(255, 255, 255, 0.7);
-  border-radius:3px;
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-  color:#182026;
-  display:block;
-  font-size:13px;
-  line-height:1.4;
-  margin:10px 0;
-  padding:13px 15px 12px;
-  word-break:break-all;
-  word-wrap:break-word; }
-  .bp3-dark .bp3-running-text pre, .bp3-running-text .bp3-dark pre, .bp3-dark .bp3-code-block{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-  .bp3-running-text pre > code, .bp3-code-block > code{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit;
-    font-size:inherit;
-    padding:0; }
-
-.bp3-running-text kbd, .bp3-key{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  background:#ffffff;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 0 0 rgba(16, 22, 26, 0), 0 1px 1px rgba(16, 22, 26, 0.2);
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-  font-size:12px;
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-          justify-content:center;
-  line-height:24px;
-  min-width:24px;
-  padding:3px 6px;
-  vertical-align:middle; }
-  .bp3-running-text kbd .bp3-icon, .bp3-key .bp3-icon, .bp3-running-text kbd .bp3-icon-standard, .bp3-key .bp3-icon-standard, .bp3-running-text kbd .bp3-icon-large, .bp3-key .bp3-icon-large{
-    margin-right:5px; }
-  .bp3-dark .bp3-running-text kbd, .bp3-running-text .bp3-dark kbd, .bp3-dark .bp3-key{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 0 0 rgba(16, 22, 26, 0), 0 1px 1px rgba(16, 22, 26, 0.4);
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-    color:#a7b6c2; }
-.bp3-running-text blockquote, .bp3-blockquote{
-  border-left:solid 4px rgba(167, 182, 194, 0.5);
-  margin:0 0 10px;
-  padding:0 20px; }
-  .bp3-dark .bp3-running-text blockquote, .bp3-running-text .bp3-dark blockquote, .bp3-dark .bp3-blockquote{
-    border-color:rgba(115, 134, 148, 0.5); }
-.bp3-running-text ul,
-.bp3-running-text ol, .bp3-list{
-  margin:10px 0;
-  padding-left:30px; }
-  .bp3-running-text ul li:not(:last-child), .bp3-running-text ol li:not(:last-child), .bp3-list li:not(:last-child){
-    margin-bottom:5px; }
-  .bp3-running-text ul ol, .bp3-running-text ol ol, .bp3-list ol,
-  .bp3-running-text ul ul,
-  .bp3-running-text ol ul,
-  .bp3-list ul{
-    margin-top:5px; }
-
-.bp3-list-unstyled{
-  list-style:none;
-  margin:0;
-  padding:0; }
-  .bp3-list-unstyled li{
-    padding:0; }
-.bp3-rtl{
-  text-align:right; }
-
-.bp3-dark{
-  color:#f5f8fa; }
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-    .bp3-dark .bp3-button[class*="bp3-intent-"]:disabled, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-disabled{
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.3); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-      stroke:#8a9ba8; }
-  .bp3-button:disabled::before,
-  .bp3-button:disabled .bp3-icon, .bp3-button:disabled .bp3-icon-standard, .bp3-button:disabled .bp3-icon-large, .bp3-button.bp3-disabled::before,
-  .bp3-button.bp3-disabled .bp3-icon, .bp3-button.bp3-disabled .bp3-icon-standard, .bp3-button.bp3-disabled .bp3-icon-large, .bp3-button[class*="bp3-intent-"]::before,
-  .bp3-button[class*="bp3-intent-"] .bp3-icon, .bp3-button[class*="bp3-intent-"] .bp3-icon-standard, .bp3-button[class*="bp3-intent-"] .bp3-icon-large{
-    color:inherit !important; }
-  .bp3-button.bp3-minimal{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button.bp3-minimal:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-minimal:active, .bp3-button.bp3-minimal.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-minimal:disabled, .bp3-button.bp3-minimal:disabled:hover, .bp3-button.bp3-minimal.bp3-disabled, .bp3-button.bp3-minimal.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-minimal{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-minimal:hover, .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-minimal:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-minimal:disabled, .bp3-dark .bp3-button.bp3-minimal:disabled:hover, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover, .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover, .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover, .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-            background:rgba(217, 130, 43, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-danger{
-      color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover, .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-          background:rgba(219, 55, 55, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-danger .bp3-button-spinner .bp3-spinner-head{
-        stroke:#c23030; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger{
-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-          background:rgba(219, 55, 55, 0.2);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-          background:rgba(219, 55, 55, 0.3);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-  .bp3-button.bp3-outlined{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    border:1px solid rgba(24, 32, 38, 0.2);
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box; }
-    .bp3-button.bp3-outlined:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-outlined:active, .bp3-button.bp3-outlined.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-outlined:disabled, .bp3-button.bp3-outlined:disabled:hover, .bp3-button.bp3-outlined.bp3-disabled, .bp3-button.bp3-outlined.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-outlined{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-outlined:hover, .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-outlined:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-outlined:disabled, .bp3-dark .bp3-button.bp3-outlined:disabled:hover, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-outlined.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:hover, .bp3-button.bp3-outlined.bp3-intent-primary:active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-outlined.bp3-intent-primary:disabled, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-outlined.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-outlined.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-outlined.bp3-intent-success:hover, .bp3-button.bp3-outlined.bp3-intent-success:active, .bp3-button.bp3-outlined.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-outlined.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-outlined.bp3-intent-success:active, .bp3-button.bp3-outlined.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-outlined.bp3-intent-success:disabled, .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-outlined.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-outlined.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:hover, .bp3-button.bp3-outlined.bp3-intent-warning:active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-outlined.bp3-intent-warning:disabled, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-outlined.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-outlined.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-outlined.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
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-.bp3-button-text{
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-          flex:0 1 auto; }
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-.bp3-button.bp3-align-left .bp3-button-text, .bp3-button.bp3-align-right .bp3-button-text,
-.bp3-button-group.bp3-align-left .bp3-button-text,
-.bp3-button-group.bp3-align-right .bp3-button-text{
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-  -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 4px 8px rgba(16, 22, 26, 0.2), 0 18px 46px 6px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 4px 8px rgba(16, 22, 26, 0.2), 0 18px 46px 6px rgba(16, 22, 26, 0.2);
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:vertical;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:column;
-          flex-direction:column;
-  margin:0;
-  padding:0; }
-  .bp3-drawer:focus{
-    outline:0; }
-  .bp3-drawer.bp3-position-top{
-    height:50%;
-    left:0;
-    right:0;
-    top:0; }
-    .bp3-drawer.bp3-position-top.bp3-overlay-enter, .bp3-drawer.bp3-position-top.bp3-overlay-appear{
-      -webkit-transform:translateY(-100%);
-              transform:translateY(-100%); }
-    .bp3-drawer.bp3-position-top.bp3-overlay-enter-active, .bp3-drawer.bp3-position-top.bp3-overlay-appear-active{
-      -webkit-transform:translateY(0);
-              transform:translateY(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
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-      -webkit-transform:translateY(0);
-              transform:translateY(0); }
-    .bp3-drawer.bp3-position-top.bp3-overlay-exit-active{
-      -webkit-transform:translateY(-100%);
-              transform:translateY(-100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
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-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
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-    bottom:0;
-    height:50%;
-    left:0;
-    right:0; }
-    .bp3-drawer.bp3-position-bottom.bp3-overlay-enter, .bp3-drawer.bp3-position-bottom.bp3-overlay-appear{
-      -webkit-transform:translateY(100%);
-              transform:translateY(100%); }
-    .bp3-drawer.bp3-position-bottom.bp3-overlay-enter-active, .bp3-drawer.bp3-position-bottom.bp3-overlay-appear-active{
-      -webkit-transform:translateY(0);
-              transform:translateY(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
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-      transition-property:transform, -webkit-transform;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-    .bp3-drawer.bp3-position-bottom.bp3-overlay-exit{
-      -webkit-transform:translateY(0);
-              transform:translateY(0); }
-    .bp3-drawer.bp3-position-bottom.bp3-overlay-exit-active{
-      -webkit-transform:translateY(100%);
-              transform:translateY(100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-drawer.bp3-position-left{
-    bottom:0;
-    left:0;
-    top:0;
-    width:50%; }
-    .bp3-drawer.bp3-position-left.bp3-overlay-enter, .bp3-drawer.bp3-position-left.bp3-overlay-appear{
-      -webkit-transform:translateX(-100%);
-              transform:translateX(-100%); }
-    .bp3-drawer.bp3-position-left.bp3-overlay-enter-active, .bp3-drawer.bp3-position-left.bp3-overlay-appear-active{
-      -webkit-transform:translateX(0);
-              transform:translateX(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-    .bp3-drawer.bp3-position-left.bp3-overlay-exit{
-      -webkit-transform:translateX(0);
-              transform:translateX(0); }
-    .bp3-drawer.bp3-position-left.bp3-overlay-exit-active{
-      -webkit-transform:translateX(-100%);
-              transform:translateX(-100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
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-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-drawer.bp3-position-right{
-    bottom:0;
-    right:0;
-    top:0;
-    width:50%; }
-    .bp3-drawer.bp3-position-right.bp3-overlay-enter, .bp3-drawer.bp3-position-right.bp3-overlay-appear{
-      -webkit-transform:translateX(100%);
-              transform:translateX(100%); }
-    .bp3-drawer.bp3-position-right.bp3-overlay-enter-active, .bp3-drawer.bp3-position-right.bp3-overlay-appear-active{
-      -webkit-transform:translateX(0);
-              transform:translateX(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-    .bp3-drawer.bp3-position-right.bp3-overlay-exit{
-      -webkit-transform:translateX(0);
-              transform:translateX(0); }
-    .bp3-drawer.bp3-position-right.bp3-overlay-exit-active{
-      -webkit-transform:translateX(100%);
-              transform:translateX(100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-  .bp3-position-right):not(.bp3-vertical){
-    bottom:0;
-    right:0;
-    top:0;
-    width:50%; }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-enter, .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-appear{
-      -webkit-transform:translateX(100%);
-              transform:translateX(100%); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-enter-active, .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-appear-active{
-      -webkit-transform:translateX(0);
-              transform:translateX(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-exit{
-      -webkit-transform:translateX(0);
-              transform:translateX(0); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right):not(.bp3-vertical).bp3-overlay-exit-active{
-      -webkit-transform:translateX(100%);
-              transform:translateX(100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-  .bp3-position-right).bp3-vertical{
-    bottom:0;
-    height:50%;
-    left:0;
-    right:0; }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-enter, .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-appear{
-      -webkit-transform:translateY(100%);
-              transform:translateY(100%); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-enter-active, .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-appear-active{
-      -webkit-transform:translateY(0);
-              transform:translateY(0);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:200ms;
-              transition-duration:200ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-exit{
-      -webkit-transform:translateY(0);
-              transform:translateY(0); }
-    .bp3-drawer:not(.bp3-position-top):not(.bp3-position-bottom):not(.bp3-position-left):not(
-    .bp3-position-right).bp3-vertical.bp3-overlay-exit-active{
-      -webkit-transform:translateY(100%);
-              transform:translateY(100%);
-      -webkit-transition-delay:0;
-              transition-delay:0;
-      -webkit-transition-duration:100ms;
-              transition-duration:100ms;
-      -webkit-transition-property:-webkit-transform;
-      transition-property:-webkit-transform;
-      transition-property:transform;
-      transition-property:transform, -webkit-transform;
-      -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-              transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-drawer.bp3-dark,
-  .bp3-dark .bp3-drawer{
-    background:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-
-.bp3-drawer-header{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border-radius:0;
-  -webkit-box-shadow:0 1px 0 rgba(16, 22, 26, 0.15);
-          box-shadow:0 1px 0 rgba(16, 22, 26, 0.15);
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  min-height:40px;
-  padding:5px;
-  padding-left:20px;
-  position:relative; }
-  .bp3-drawer-header .bp3-icon-large,
-  .bp3-drawer-header .bp3-icon{
-    color:#5c7080;
-    -webkit-box-flex:0;
-        -ms-flex:0 0 auto;
-            flex:0 0 auto;
-    margin-right:10px; }
-  .bp3-drawer-header .bp3-heading{
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    line-height:inherit;
-    margin:0; }
-    .bp3-drawer-header .bp3-heading:last-child{
-      margin-right:20px; }
-  .bp3-dark .bp3-drawer-header{
-    -webkit-box-shadow:0 1px 0 rgba(16, 22, 26, 0.4);
-            box-shadow:0 1px 0 rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-drawer-header .bp3-icon-large,
-    .bp3-dark .bp3-drawer-header .bp3-icon{
-      color:#a7b6c2; }
-
-.bp3-drawer-body{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 auto;
-          flex:1 1 auto;
-  line-height:18px;
-  overflow:auto; }
-
-.bp3-drawer-footer{
-  -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  padding:10px 20px;
-  position:relative; }
-  .bp3-dark .bp3-drawer-footer{
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.4); }
-.bp3-editable-text{
-  cursor:text;
-  display:inline-block;
-  max-width:100%;
-  position:relative;
-  vertical-align:top;
-  white-space:nowrap; }
-  .bp3-editable-text::before{
-    bottom:-3px;
-    left:-3px;
-    position:absolute;
-    right:-3px;
-    top:-3px;
-    border-radius:3px;
-    content:"";
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9), box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9), box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9); }
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-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
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-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-editable-text.bp3-disabled::before{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-editable-text.bp3-intent-primary .bp3-editable-text-input,
-  .bp3-editable-text.bp3-intent-primary .bp3-editable-text-content{
-    color:#137cbd; }
-  .bp3-editable-text.bp3-intent-primary:hover::before{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(19, 124, 189, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(19, 124, 189, 0.4); }
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-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
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-  .bp3-editable-text.bp3-intent-success .bp3-editable-text-content{
-    color:#0f9960; }
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-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px rgba(15, 153, 96, 0.4);
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-            box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
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-  .bp3-editable-text.bp3-intent-warning .bp3-editable-text-content{
-    color:#d9822b; }
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-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px rgba(217, 130, 43, 0.4);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px rgba(217, 130, 43, 0.4); }
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-            box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-editable-text.bp3-intent-danger .bp3-editable-text-input,
-  .bp3-editable-text.bp3-intent-danger .bp3-editable-text-content{
-    color:#db3737; }
-  .bp3-editable-text.bp3-intent-danger:hover::before{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px rgba(219, 55, 55, 0.4);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px rgba(219, 55, 55, 0.4); }
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-            box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
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-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(255, 255, 255, 0.15);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(255, 255, 255, 0.15); }
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-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
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-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control.bp3-checkbox .bp3-control-indicator{
-    border-radius:3px; }
-  .bp3-control.bp3-checkbox input:checked ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M12 5c-.28 0-.53.11-.71.29L7 9.59l-2.29-2.3a1.003 1.003 0 00-1.42 1.42l3 3c.18.18.43.29.71.29s.53-.11.71-.29l5-5A1.003 1.003 0 0012 5z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M11 7H5c-.55 0-1 .45-1 1s.45 1 1 1h6c.55 0 1-.45 1-1s-.45-1-1-1z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-radio .bp3-control-indicator{
-    border-radius:50%; }
-  .bp3-control.bp3-radio input:checked ~ .bp3-control-indicator::before{
-    background-image:radial-gradient(#ffffff, #ffffff 28%, transparent 32%); }
-  .bp3-control.bp3-radio input:checked:disabled ~ .bp3-control-indicator::before{
-    opacity:0.5; }
-  .bp3-control.bp3-radio input:focus ~ .bp3-control-indicator{
-    -moz-outline-radius:16px; }
-  .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(167, 182, 194, 0.5); }
-  .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(115, 134, 148, 0.5); }
-  .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(92, 112, 128, 0.5); }
-  .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5); }
-    .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5); }
-    .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch:not(.bp3-align-right){
-    padding-left:38px; }
-    .bp3-control.bp3-switch:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-38px; }
-  .bp3-control.bp3-switch.bp3-align-right{
-    padding-right:38px; }
-    .bp3-control.bp3-switch.bp3-align-right .bp3-control-indicator{
-      margin-right:-38px; }
-  .bp3-control.bp3-switch .bp3-control-indicator{
-    border:none;
-    border-radius:1.75em;
-    -webkit-box-shadow:none !important;
-            box-shadow:none !important;
-    min-width:1.75em;
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    width:auto; }
-    .bp3-control.bp3-switch .bp3-control-indicator::before{
-      background:#ffffff;
-      border-radius:50%;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-      height:calc(1em - 4px);
-      left:0;
-      margin:2px;
-      position:absolute;
-      -webkit-transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      width:calc(1em - 4px); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    left:calc(100% - 1em); }
-  .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right){
-    padding-left:45px; }
-    .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-45px; }
-  .bp3-control.bp3-switch.bp3-large.bp3-align-right{
-    padding-right:45px; }
-    .bp3-control.bp3-switch.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-right:-45px; }
-  .bp3-dark .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.5); }
-  .bp3-dark .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.7); }
-  .bp3-dark .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.9); }
-  .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(57, 75, 89, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-dark .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch .bp3-control-indicator::before{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-control.bp3-switch .bp3-switch-inner-text{
-    font-size:0.7em;
-    text-align:center; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:first-child{
-    line-height:0;
-    margin-left:0.5em;
-    margin-right:1.2em;
-    visibility:hidden; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:last-child{
-    line-height:1em;
-    margin-left:1.2em;
-    margin-right:0.5em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:first-child{
-    line-height:1em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:last-child{
-    line-height:0;
-    visibility:hidden; }
-  .bp3-dark .bp3-control{
-    color:#f5f8fa; }
-    .bp3-dark .bp3-control.bp3-disabled{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-control .bp3-control-indicator{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-control:hover .bp3-control-indicator{
-      background-color:#30404d; }
-    .bp3-dark .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-      background:#202b33;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-control input:disabled ~ .bp3-control-indicator{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      cursor:not-allowed; }
-    .bp3-dark .bp3-control.bp3-checkbox input:disabled:checked ~ .bp3-control-indicator, .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-file-input{
-  cursor:pointer;
-  display:inline-block;
-  height:30px;
-  position:relative; }
-  .bp3-file-input input{
-    margin:0;
-    min-width:200px;
-    opacity:0; }
-    .bp3-file-input input:disabled + .bp3-file-upload-input,
-    .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-      background:rgba(206, 217, 224, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      resize:none; }
-      .bp3-file-input input:disabled + .bp3-file-upload-input::after,
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-        background-color:rgba(206, 217, 224, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(92, 112, 128, 0.6);
-        cursor:not-allowed;
-        outline:none; }
-        .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active:hover,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active:hover{
-          background:rgba(206, 217, 224, 0.7); }
-      .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input, .bp3-dark
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-        background:rgba(57, 75, 89, 0.5);
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after, .bp3-dark
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-          background-color:rgba(57, 75, 89, 0.5);
-          background-image:none;
-          -webkit-box-shadow:none;
-                  box-shadow:none;
-          color:rgba(167, 182, 194, 0.6); }
-          .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-dark
-          .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active{
-            background:rgba(57, 75, 89, 0.7); }
-  .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#182026; }
-  .bp3-dark .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#f5f8fa; }
-  .bp3-file-input.bp3-fill{
-    width:100%; }
-  .bp3-file-input.bp3-large,
-  .bp3-large .bp3-file-input{
-    height:40px; }
-  .bp3-file-input .bp3-file-upload-input-custom-text::after{
-    content:attr(bp3-button-text); }
-
-.bp3-file-upload-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle;
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal;
-  color:rgba(92, 112, 128, 0.6);
-  left:0;
-  padding-right:80px;
-  position:absolute;
-  right:0;
-  top:0;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-file-upload-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:focus, .bp3-file-upload-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-file-upload-input[type="search"], .bp3-file-upload-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-file-upload-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-file-upload-input:disabled, .bp3-file-upload-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-file-upload-input::after{
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    color:#182026;
-    min-height:24px;
-    min-width:24px;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    border-radius:3px;
-    content:"Browse";
-    line-height:24px;
-    margin:3px;
-    position:absolute;
-    right:0;
-    text-align:center;
-    top:0;
-    width:70px; }
-    .bp3-file-upload-input::after:hover{
-      background-clip:padding-box;
-      background-color:#ebf1f5;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-    .bp3-file-upload-input::after:active, .bp3-file-upload-input::after.bp3-active{
-      background-color:#d8e1e8;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-file-upload-input::after:disabled, .bp3-file-upload-input::after.bp3-disabled{
-      background-color:rgba(206, 217, 224, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      outline:none; }
-      .bp3-file-upload-input::after:disabled.bp3-active, .bp3-file-upload-input::after:disabled.bp3-active:hover, .bp3-file-upload-input::after.bp3-disabled.bp3-active, .bp3-file-upload-input::after.bp3-disabled.bp3-active:hover{
-        background:rgba(206, 217, 224, 0.7); }
-  .bp3-file-upload-input:hover::after{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-file-upload-input:active::after{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-large .bp3-file-upload-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px;
-    padding-right:95px; }
-    .bp3-large .bp3-file-upload-input[type="search"], .bp3-large .bp3-file-upload-input.bp3-round{
-      padding:0 15px; }
-    .bp3-large .bp3-file-upload-input::after{
-      min-height:30px;
-      min-width:30px;
-      line-height:30px;
-      margin:5px;
-      width:85px; }
-  .bp3-dark .bp3-file-upload-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa;
-    color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
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-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
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-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
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-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  display:flex;
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-  margin:0 0 15px; }
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-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:focus, .bp3-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-input[type="search"], .bp3-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-input:disabled, .bp3-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-input.bp3-large{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input.bp3-large[type="search"], .bp3-input.bp3-large.bp3-round{
-      padding:0 15px; }
-  .bp3-input.bp3-small{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input.bp3-small[type="search"], .bp3-input.bp3-small.bp3-round{
-      padding:0 12px; }
-  .bp3-input.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-dark .bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input:disabled, .bp3-dark .bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-input.bp3-intent-primary{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input.bp3-intent-primary:disabled, .bp3-input.bp3-intent-primary.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-primary{
-      -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary:focus{
-        -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-                box-shadow:inset 0 0 0 1px #137cbd; }
-      .bp3-dark .bp3-input.bp3-intent-primary:disabled, .bp3-dark .bp3-input.bp3-intent-primary.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-success{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input.bp3-intent-success:disabled, .bp3-input.bp3-intent-success.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-success{
-      -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success:focus{
-        -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-                box-shadow:inset 0 0 0 1px #0f9960; }
-      .bp3-dark .bp3-input.bp3-intent-success:disabled, .bp3-dark .bp3-input.bp3-intent-success.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-warning{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input.bp3-intent-warning:disabled, .bp3-input.bp3-intent-warning.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-warning{
-      -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning:focus{
-        -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-                box-shadow:inset 0 0 0 1px #d9822b; }
-      .bp3-dark .bp3-input.bp3-intent-warning:disabled, .bp3-dark .bp3-input.bp3-intent-warning.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-danger{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input.bp3-intent-danger:disabled, .bp3-input.bp3-intent-danger.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-danger{
-      -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger:focus{
-        -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #db3737;
-                box-shadow:inset 0 0 0 1px #db3737; }
-      .bp3-dark .bp3-input.bp3-intent-danger:disabled, .bp3-dark .bp3-input.bp3-intent-danger.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input::-ms-clear{
-    display:none; }
-textarea.bp3-input{
-  max-width:100%;
-  padding:10px; }
-  textarea.bp3-input, textarea.bp3-input.bp3-large, textarea.bp3-input.bp3-small{
-    height:auto;
-    line-height:inherit; }
-  textarea.bp3-input.bp3-small{
-    padding:8px; }
-  .bp3-dark textarea.bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark textarea.bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input:disabled, .bp3-dark textarea.bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-label.bp3-label{
-  display:block;
-  margin-bottom:15px;
-  margin-top:0; }
-  label.bp3-label .bp3-html-select,
-  label.bp3-label .bp3-input,
-  label.bp3-label .bp3-select,
-  label.bp3-label .bp3-slider,
-  label.bp3-label .bp3-popover-wrapper{
-    display:block;
-    margin-top:5px;
-    text-transform:none; }
-  label.bp3-label .bp3-button-group{
-    margin-top:5px; }
-  label.bp3-label .bp3-select select,
-  label.bp3-label .bp3-html-select select{
-    font-weight:400;
-    vertical-align:top;
-    width:100%; }
-  label.bp3-label.bp3-disabled,
-  label.bp3-label.bp3-disabled .bp3-text-muted{
-    color:rgba(92, 112, 128, 0.6); }
-  label.bp3-label.bp3-inline{
-    line-height:30px; }
-    label.bp3-label.bp3-inline .bp3-html-select,
-    label.bp3-label.bp3-inline .bp3-input,
-    label.bp3-label.bp3-inline .bp3-input-group,
-    label.bp3-label.bp3-inline .bp3-select,
-    label.bp3-label.bp3-inline .bp3-popover-wrapper{
-      display:inline-block;
-      margin:0 0 0 5px;
-      vertical-align:top; }
-    label.bp3-label.bp3-inline .bp3-button-group{
-      margin:0 0 0 5px; }
-    label.bp3-label.bp3-inline .bp3-input-group .bp3-input{
-      margin-left:0; }
-    label.bp3-label.bp3-inline.bp3-large{
-      line-height:40px; }
-  label.bp3-label:not(.bp3-inline) .bp3-popover-target{
-    display:block; }
-  .bp3-dark label.bp3-label{
-    color:#f5f8fa; }
-    .bp3-dark label.bp3-label.bp3-disabled,
-    .bp3-dark label.bp3-label.bp3-disabled .bp3-text-muted{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 14px;
-          flex:1 1 14px;
-  min-height:0;
-  padding:0;
-  width:30px; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:first-child{
-    border-radius:0 3px 0 0; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:last-child{
-    border-radius:0 0 3px 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:first-child{
-  border-radius:3px 0 0 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:last-child{
-  border-radius:0 0 0 3px; }
-
-.bp3-numeric-input.bp3-large .bp3-button-group.bp3-vertical > .bp3-button{
-  width:40px; }
-
-form{
-  display:block; }
-.bp3-html-select select,
-.bp3-select select{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border:none;
-  border-radius:3px;
-  cursor:pointer;
-  font-size:14px;
-  -webkit-box-pack:center;
-      -ms-flex-pack:center;
-          justify-content:center;
-  padding:5px 10px;
-  text-align:left;
-  vertical-align:middle;
-  background-color:#f5f8fa;
-  background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-  background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-  color:#182026;
-  -moz-appearance:none;
-  -webkit-appearance:none;
-  border-radius:3px;
-  height:30px;
-  padding:0 25px 0 10px;
-  width:100%; }
-  .bp3-html-select select > *, .bp3-select select > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-html-select select > .bp3-fill, .bp3-select select > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-html-select select::before,
-  .bp3-select select::before, .bp3-html-select select > *, .bp3-select select > *{
-    margin-right:7px; }
-  .bp3-html-select select:empty::before,
-  .bp3-select select:empty::before,
-  .bp3-html-select select > :last-child,
-  .bp3-select select > :last-child{
-    margin-right:0; }
-  .bp3-html-select select:hover,
-  .bp3-select select:hover{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-html-select select:active,
-  .bp3-select select:active, .bp3-html-select select.bp3-active,
-  .bp3-select select.bp3-active{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-html-select select:disabled,
-  .bp3-select select:disabled, .bp3-html-select select.bp3-disabled,
-  .bp3-select select.bp3-disabled{
-    background-color:rgba(206, 217, 224, 0.5);
-    background-image:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    outline:none; }
-    .bp3-html-select select:disabled.bp3-active,
-    .bp3-select select:disabled.bp3-active, .bp3-html-select select:disabled.bp3-active:hover,
-    .bp3-select select:disabled.bp3-active:hover, .bp3-html-select select.bp3-disabled.bp3-active,
-    .bp3-select select.bp3-disabled.bp3-active, .bp3-html-select select.bp3-disabled.bp3-active:hover,
-    .bp3-select select.bp3-disabled.bp3-active:hover{
-      background:rgba(206, 217, 224, 0.7); }
-
-.bp3-html-select.bp3-minimal select,
-.bp3-select.bp3-minimal select{
-  background:none;
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  .bp3-html-select.bp3-minimal select:hover,
-  .bp3-select.bp3-minimal select:hover{
-    background:rgba(167, 182, 194, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026;
-    text-decoration:none; }
-  .bp3-html-select.bp3-minimal select:active,
-  .bp3-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal select.bp3-active,
-  .bp3-select.bp3-minimal select.bp3-active{
-    background:rgba(115, 134, 148, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026; }
-  .bp3-html-select.bp3-minimal select:disabled,
-  .bp3-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal select:disabled:hover,
-  .bp3-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal select.bp3-disabled,
-  .bp3-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal select.bp3-disabled:hover,
-  .bp3-select.bp3-minimal select.bp3-disabled:hover{
-    background:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-    .bp3-html-select.bp3-minimal select:disabled.bp3-active,
-    .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active{
-      background:rgba(115, 134, 148, 0.3); }
-  .bp3-dark .bp3-html-select.bp3-minimal select, .bp3-html-select.bp3-minimal .bp3-dark select,
-  .bp3-dark .bp3-select.bp3-minimal select, .bp3-select.bp3-minimal .bp3-dark select{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover, .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover{
-      background:rgba(138, 155, 168, 0.15); }
-    .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:rgba(138, 155, 168, 0.3);
-      color:#f5f8fa; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal .bp3-dark select:disabled,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled, .bp3-select.bp3-minimal .bp3-dark select:disabled, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled:hover, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover{
-      background:none;
-      color:rgba(167, 182, 194, 0.6);
-      cursor:not-allowed; }
-      .bp3-dark .bp3-html-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active{
-        background:rgba(138, 155, 168, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-primary,
-  .bp3-select.bp3-minimal select.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover{
-      background:rgba(19, 124, 189, 0.15);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:rgba(19, 124, 189, 0.3);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled{
-      background:none;
-      color:rgba(16, 107, 163, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active{
-        background:rgba(19, 124, 189, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-      stroke:#106ba3; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary{
-      color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.2);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(72, 175, 240, 0.5); }
-        .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-success,
-  .bp3-select.bp3-minimal select.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover{
-      background:rgba(15, 153, 96, 0.15);
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:rgba(15, 153, 96, 0.3);
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-success:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled{
-      background:none;
-      color:rgba(13, 128, 80, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active{
-        background:rgba(15, 153, 96, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-      stroke:#0d8050; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success{
-      color:#3dcc91; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.2);
-        color:#3dcc91; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#3dcc91; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(61, 204, 145, 0.5); }
-        .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success:disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-success.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-warning,
-  .bp3-select.bp3-minimal select.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-warning:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-warning:hover, .bp3-html-select.bp3-minimal select.bp3-intent-warning:active,
-    .bp3-select.bp3-minimal select.bp3-intent-warning:active, .bp3-html-select.bp3-minimal select.bp3-intent-warning.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-warning.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#bf7326; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-warning:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-warning:hover{
-      background:rgba(217, 130, 43, 0.15);
-      color:#bf7326; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-warning:active,
-    .bp3-select.bp3-minimal select.bp3-intent-warning:active, .bp3-html-select.bp3-minimal select.bp3-intent-warning.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-warning.bp3-active{
-      background:rgba(217, 130, 43, 0.3);
-      color:#bf7326; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-warning:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-warning:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-warning.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-warning.bp3-disabled{
-      background:none;
-      color:rgba(191, 115, 38, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-warning:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-warning:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-warning.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-warning.bp3-disabled.bp3-active{
-        background:rgba(217, 130, 43, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-      stroke:#bf7326; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-warning, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-warning,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-warning, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-warning{
-      color:#ffb366; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-warning:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-warning:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-warning:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.2);
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-  color:#bf7326; }
-  .bp3-dark .bp3-icon.bp3-intent-warning, .bp3-dark .bp3-icon-standard.bp3-intent-warning, .bp3-dark .bp3-icon-large.bp3-intent-warning{
-    color:#ffb366; }
-
-.bp3-icon.bp3-intent-danger, .bp3-icon-standard.bp3-intent-danger, .bp3-icon-large.bp3-intent-danger{
-  color:#c23030; }
-  .bp3-dark .bp3-icon.bp3-intent-danger, .bp3-dark .bp3-icon-standard.bp3-intent-danger, .bp3-dark .bp3-icon-large.bp3-intent-danger{
-    color:#ff7373; }
-
-span.bp3-icon-standard{
-  font-family:"Icons16", sans-serif;
-  font-size:16px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon-large{
-  font-family:"Icons20", sans-serif;
-  font-size:20px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon:empty{
-  font-family:"Icons20";
-  font-size:inherit;
-  font-style:normal;
-  font-weight:400;
-  line-height:1; }
-  span.bp3-icon:empty::before{
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased; }
-
-.bp3-icon-add::before{
-  content:""; }
-
-.bp3-icon-add-column-left::before{
-  content:""; }
-
-.bp3-icon-add-column-right::before{
-  content:""; }
-
-.bp3-icon-add-row-bottom::before{
-  content:""; }
-
-.bp3-icon-add-row-top::before{
-  content:""; }
-
-.bp3-icon-add-to-artifact::before{
-  content:""; }
-
-.bp3-icon-add-to-folder::before{
-  content:""; }
-
-.bp3-icon-airplane::before{
-  content:""; }
-
-.bp3-icon-align-center::before{
-  content:""; }
-
-.bp3-icon-align-justify::before{
-  content:""; }
-
-.bp3-icon-align-left::before{
-  content:""; }
-
-.bp3-icon-align-right::before{
-  content:""; }
-
-.bp3-icon-alignment-bottom::before{
-  content:""; }
-
-.bp3-icon-alignment-horizontal-center::before{
-  content:""; }
-
-.bp3-icon-alignment-left::before{
-  content:""; }
-
-.bp3-icon-alignment-right::before{
-  content:""; }
-
-.bp3-icon-alignment-top::before{
-  content:""; }
-
-.bp3-icon-alignment-vertical-center::before{
-  content:""; }
-
-.bp3-icon-annotation::before{
-  content:""; }
-
-.bp3-icon-application::before{
-  content:""; }
-
-.bp3-icon-applications::before{
-  content:""; }
-
-.bp3-icon-archive::before{
-  content:""; }
-
-.bp3-icon-arrow-bottom-left::before{
-  content:"↙"; }
-
-.bp3-icon-arrow-bottom-right::before{
-  content:"↘"; }
-
-.bp3-icon-arrow-down::before{
-  content:"↓"; }
-
-.bp3-icon-arrow-left::before{
-  content:"←"; }
-
-.bp3-icon-arrow-right::before{
-  content:"→"; }
-
-.bp3-icon-arrow-top-left::before{
-  content:"↖"; }
-
-.bp3-icon-arrow-top-right::before{
-  content:"↗"; }
-
-.bp3-icon-arrow-up::before{
-  content:"↑"; }
-
-.bp3-icon-arrows-horizontal::before{
-  content:"↔"; }
-
-.bp3-icon-arrows-vertical::before{
-  content:"↕"; }
-
-.bp3-icon-asterisk::before{
-  content:"*"; }
-
-.bp3-icon-automatic-updates::before{
-  content:""; }
-
-.bp3-icon-badge::before{
-  content:""; }
-
-.bp3-icon-ban-circle::before{
-  content:""; }
-
-.bp3-icon-bank-account::before{
-  content:""; }
-
-.bp3-icon-barcode::before{
-  content:""; }
-
-.bp3-icon-blank::before{
-  content:""; }
-
-.bp3-icon-blocked-person::before{
-  content:""; }
-
-.bp3-icon-bold::before{
-  content:""; }
-
-.bp3-icon-book::before{
-  content:""; }
-
-.bp3-icon-bookmark::before{
-  content:""; }
-
-.bp3-icon-box::before{
-  content:""; }
-
-.bp3-icon-briefcase::before{
-  content:""; }
-
-.bp3-icon-bring-data::before{
-  content:""; }
-
-.bp3-icon-build::before{
-  content:""; }
-
-.bp3-icon-calculator::before{
-  content:""; }
-
-.bp3-icon-calendar::before{
-  content:""; }
-
-.bp3-icon-camera::before{
-  content:""; }
-
-.bp3-icon-caret-down::before{
-  content:"⌄"; }
-
-.bp3-icon-caret-left::before{
-  content:"〈"; }
-
-.bp3-icon-caret-right::before{
-  content:"〉"; }
-
-.bp3-icon-caret-up::before{
-  content:"⌃"; }
-
-.bp3-icon-cell-tower::before{
-  content:""; }
-
-.bp3-icon-changes::before{
-  content:""; }
-
-.bp3-icon-chart::before{
-  content:""; }
-
-.bp3-icon-chat::before{
-  content:""; }
-
-.bp3-icon-chevron-backward::before{
-  content:""; }
-
-.bp3-icon-chevron-down::before{
-  content:""; }
-
-.bp3-icon-chevron-forward::before{
-  content:""; }
-
-.bp3-icon-chevron-left::before{
-  content:""; }
-
-.bp3-icon-chevron-right::before{
-  content:""; }
-
-.bp3-icon-chevron-up::before{
-  content:""; }
-
-.bp3-icon-circle::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-down::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-left::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-right::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-circle-arrow-up::before{
-  content:""; }
+.jp-Collapse {
+  display: flex;
+  flex-direction: column;
+  align-items: stretch;
+}
 
-.bp3-icon-citation::before{
-  content:""; }
+.jp-Collapse-header {
+  padding: 1px 12px;
+  background-color: var(--jp-layout-color1);
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  align-items: center;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  text-transform: uppercase;
+  user-select: none;
+}
 
-.bp3-icon-clean::before{
-  content:""; }
+.jp-Collapser-icon {
+  height: 16px;
+}
 
-.bp3-icon-clipboard::before{
-  content:""; }
+.jp-Collapse-header-collapsed .jp-Collapser-icon {
+  transform: rotate(-90deg);
+  margin: auto 0;
+}
 
-.bp3-icon-cloud::before{
-  content:"☁"; }
+.jp-Collapser-title {
+  line-height: 25px;
+}
 
-.bp3-icon-cloud-download::before{
-  content:""; }
+.jp-Collapse-contents {
+  padding: 0 12px;
+  background-color: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
+}
 
-.bp3-icon-cloud-upload::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-code::before{
-  content:""; }
+/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
 
-.bp3-icon-code-block::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-cog::before{
-  content:""; }
+/* Icons urls */
 
-.bp3-icon-collapse-all::before{
-  content:""; }
-
-.bp3-icon-column-layout::before{
-  content:""; }
-
-.bp3-icon-comment::before{
-  content:""; }
+:root {
+  --jp-icon-add-above: url(data:image/svg+xml;base64,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);
+  --jp-icon-add-below: url(data:image/svg+xml;base64,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);
+  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-bell: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug: url(data:image/svg+xml;base64,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);
+  --jp-icon-build: url(data:image/svg+xml;base64,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);
+  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KICA8ZyBjbGFzcz0ianAtaWNvbjIiIGZpbGw9IiM0MTQxNDEiPgogICAgPHJlY3QgeD0iMiIgeT0iMiIgd2lkdGg9IjE2IiBoZWlnaHQ9IjE2Ii8+CiAgPC9nPgogIDxnIGNsYXNzPSJqcC1pY29uLWFjY2VudDIiIGZpbGw9IiNGRkYiPgogICAgPHBhdGggZD0iTTcuNiw4aDAuOWwzLjUsOGgtMS4xTDEwLDE0SDZsLTAuOSwySDRMNy42LDh6IE04LDkuMUw2LjQsMTNoMy4yTDgsOS4xeiIvPgogICAgPHBhdGggZD0iTTE2LjYsOS44Yy0wLjIsMC4xLTAuNCwwLjEtMC43LDAuMWMtMC4yLDAtMC40LTAuMS0wLjYtMC4yYy0wLjEtMC4xLTAuMi0wLjQtMC4yLTAuNyBjLTAuMywwLjMtMC42LDAuNS0wLjksMC43Yy0wLjMsMC4xLTAuNywwLjItMS4xLDAuMmMtMC4zLDAtMC41LDAtMC43LTAuMWMtMC4yLTAuMS0wLjQtMC4yLTAuNi0wLjNjLTAuMi0wLjEtMC4zLTAuMy0wLjQtMC41IGMtMC4xLTAuMi0wLjEtMC40LTAuMS0wLjdjMC0wLjMsMC4xLTAuNiwwLjItMC44YzAuMS0wLjIsMC4zLTAuNCwwLjQtMC41QzEyLDcsMTIuMiw2LjksMTIuNSw2LjhjMC4yLTAuMSwwLjUtMC4xLDAuNy0wLjIgYzAuMy0wLjEsMC41LTAuMSwwLjctMC4xYzAuMiwwLDAuNC0wLjEsMC42LTAuMWMwLjIsMCwwLjMtMC4xLDAuNC0wLjJjMC4xLTAuMSwwLjItMC4yLDAuMi0wLjRjMC0xLTEuMS0xLTEuMy0xIGMtMC40LDAtMS40LDAtMS40LDEuMmgtMC45YzAtMC40LDAuMS0wLjcsMC4yLTFjMC4xLTAuMiwwLjMtMC40LDAuNS0wLjZjMC4yLTAuMiwwLjUtMC4zLDAuOC0wLjNDMTMuMyw0LDEzLjYsNCwxMy45LDQgYzAuMywwLDAuNSwwLDAuOCwwLjFjMC4zLDAsMC41LDAuMSwwLjcsMC4yYzAuMiwwLjEsMC40LDAuMywwLjUsMC41QzE2LDUsMTYsNS4yLDE2LDUuNnYyLjljMCwwLjIsMCwwLjQsMCwwLjUgYzAsMC4xLDAuMSwwLjIsMC4zLDAuMmMwLjEsMCwwLjIsMCwwLjMsMFY5Ljh6IE0xNS4yLDYuOWMtMS4yLDAuNi0zLjEsMC4yLTMuMSwxLjRjMCwxLjQsMy4xLDEsMy4xLTAuNVY2Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik05IDE2LjE3TDQuODMgMTJsLTEuNDIgMS40MUw5IDE5IDIxIDdsLTEuNDEtMS40MXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-circle: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iOSIgY3k9IjkiIHI9IjgiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-clear: url(data:image/svg+xml;base64,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);
+  --jp-icon-close: url(data:image/svg+xml;base64,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);
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+  --jp-icon-file-upload: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTZoNnYtNmg0bC03LTctNyA3aDR6bS00IDJoMTR2Mkg1eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-file: url(data:image/svg+xml;base64,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);
+  --jp-icon-filter-dot: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiNGRkYiPgogICAgPHBhdGggZD0iTTE0LDEyVjE5Ljg4QzE0LjA0LDIwLjE4IDEzLjk0LDIwLjUgMTMuNzEsMjAuNzFDMTMuMzIsMjEuMSAxMi42OSwyMS4xIDEyLjMsMjAuNzFMMTAuMjksMTguN0MxMC4wNiwxOC40NyA5Ljk2LDE4LjE2IDEwLDE3Ljg3VjEySDkuOTdMNC4yMSw0LjYyQzMuODcsNC4xOSAzLjk1LDMuNTYgNC4zOCwzLjIyQzQuNTcsMy4wOCA0Ljc4LDMgNSwzVjNIMTlWM0MxOS4yMiwzIDE5LjQzLDMuMDggMTkuNjIsMy4yMkMyMC4wNSwzLjU2IDIwLjEzLDQuMTkgMTkuNzksNC42MkwxNC4wMywxMkgxNFoiIC8+CiAgPC9nPgogIDxnIGNsYXNzPSJqcC1pY29uLWRvdCIgZmlsbD0iI0ZGRiI+CiAgICA8Y2lyY2xlIGN4PSIxOCIgY3k9IjE3IiByPSIzIj48L2NpcmNsZT4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-filter-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEwIDE4aDR2LTJoLTR2MnpNMyA2djJoMThWNkgzem0zIDdoMTJ2LTJINnYyeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-filter: url(data:image/svg+xml;base64,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);
+  --jp-icon-folder-favorite: url(data:image/svg+xml;base64,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);
+  --jp-icon-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY4YzAtMS4xLS45LTItMi0yaC04bC0yLTJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-home: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjRweCIgdmlld0JveD0iMCAwIDI0IDI0IiB3aWR0aD0iMjRweCIgZmlsbD0iIzAwMDAwMCI+CiAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPjxwYXRoIGNsYXNzPSJqcC1pY29uMyBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xMCAyMHYtNmg0djZoNXYtOGgzTDEyIDMgMiAxMmgzdjh6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-html5: url(data:image/svg+xml;base64,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);
+  --jp-icon-image: url(data:image/svg+xml;base64,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);
+  --jp-icon-info: url(data:image/svg+xml;base64,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);
+  --jp-icon-inspector: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaW5zcGVjdG9yLWljb24tY29sb3IganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY2YzAtMS4xLS45LTItMi0yem0tNSAxNEg0di00aDExdjR6bTAtNUg0VjloMTF2NHptNSA1aC00VjloNHY5eiIvPgo8L3N2Zz4K);
+  --jp-icon-json: url(data:image/svg+xml;base64,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);
+  --jp-icon-julia: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyter-favicon: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyter: url(data:image/svg+xml;base64,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);
+  --jp-icon-jupyterlab-wordmark: 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+  --jp-icon-kernel: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiIgZmlsbD0iIzYxNjE2MSIgZD0iTTE1IDlIOXY2aDZWOXptLTIgNGgtMnYtMmgydjJ6bTgtMlY5aC0yVjdjMC0xLjEtLjktMi0yLTJoLTJWM2gtMnYyaC0yVjNIOXYySDdjLTEuMSAwLTIgLjktMiAydjJIM3YyaDJ2MkgzdjJoMnYyYzAgMS4xLjkgMiAyIDJoMnYyaDJ2LTJoMnYyaDJ2LTJoMmMxLjEgMCAyLS45IDItMnYtMmgydi0yaC0ydi0yaDJ6bS00IDZIN1Y3aDEwdjEweiIvPgo8L3N2Zz4K);
+  --jp-icon-keyboard: url(data:image/svg+xml;base64,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);
+  --jp-icon-launch: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMzIgMzIiIHdpZHRoPSIzMiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yNiwyOEg2YTIuMDAyNywyLjAwMjcsMCwwLDEtMi0yVjZBMi4wMDI3LDIuMDAyNywwLDAsMSw2LDRIMTZWNkg2VjI2SDI2VjE2aDJWMjZBMi4wMDI3LDIuMDAyNywwLDAsMSwyNiwyOFoiLz4KICAgIDxwb2x5Z29uIHBvaW50cz0iMjAgMiAyMCA0IDI2LjU4NiA0IDE4IDEyLjU4NiAxOS40MTQgMTQgMjggNS40MTQgMjggMTIgMzAgMTIgMzAgMiAyMCAyIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-launcher: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkgMTlINVY1aDdWM0g1YTIgMiAwIDAwLTIgMnYxNGEyIDIgMCAwMDIgMmgxNGMxLjEgMCAyLS45IDItMnYtN2gtMnY3ek0xNCAzdjJoMy41OWwtOS44MyA5LjgzIDEuNDEgMS40MUwxOSA2LjQxVjEwaDJWM2gtN3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-line-form: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGZpbGw9IndoaXRlIiBkPSJNNS44OCA0LjEyTDEzLjc2IDEybC03Ljg4IDcuODhMOCAyMmwxMC0xMEw4IDJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-link: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTMuOSAxMmMwLTEuNzEgMS4zOS0zLjEgMy4xLTMuMWg0VjdIN2MtMi43NiAwLTUgMi4yNC01IDVzMi4yNCA1IDUgNWg0di0xLjlIN2MtMS43MSAwLTMuMS0xLjM5LTMuMS0zLjF6TTggMTNoOHYtMkg4djJ6bTktNmgtNHYxLjloNGMxLjcxIDAgMy4xIDEuMzkgMy4xIDMuMXMtMS4zOSAzLjEtMy4xIDMuMWgtNFYxN2g0YzIuNzYgMCA1LTIuMjQgNS01cy0yLjI0LTUtNS01eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xOSA1djE0SDVWNWgxNG0xLjEtMkgzLjljLS41IDAtLjkuNC0uOS45djE2LjJjMCAuNC40LjkuOS45aDE2LjJjLjQgMCAuOS0uNS45LS45VjMuOWMwLS41LS41LS45LS45LS45ek0xMSA3aDZ2MmgtNlY3em0wIDRoNnYyaC02di0yem0wIDRoNnYyaC02ek03IDdoMnYySDd6bTAgNGgydjJIN3ptMCA0aDJ2Mkg3eiIvPgo8L3N2Zz4K);
+  --jp-icon-markdown: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-down: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-up: url(data:image/svg+xml;base64,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);
+  --jp-icon-new-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwIDZoLThsLTItMkg0Yy0xLjExIDAtMS45OS44OS0xLjk5IDJMMiAxOGMwIDEuMTEuODkgMiAyIDJoMTZjMS4xMSAwIDItLjg5IDItMlY4YzAtMS4xMS0uODktMi0yLTJ6bS0xIDhoLTN2M2gtMnYtM2gtM3YtMmgzVjloMnYzaDN2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-not-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-notebook: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtbm90ZWJvb2staWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiNFRjZDMDAiPgogICAgPHBhdGggZD0iTTE4LjcgMy4zdjE1LjRIMy4zVjMuM2gxNS40bTEuNS0xLjVIMS44djE4LjNoMTguM2wuMS0xOC4zeiIvPgogICAgPHBhdGggZD0iTTE2LjUgMTYuNWwtNS40LTQuMy01LjYgNC4zdi0xMWgxMXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-numbering: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTQgMTlINlYxOS41SDVWMjAuNUg2VjIxSDRWMjJIN1YxOEg0VjE5Wk01IDEwSDZWNkg0VjdINVYxMFpNNCAxM0g1LjhMNCAxNS4xVjE2SDdWMTVINS4yTDcgMTIuOVYxMkg0VjEzWk05IDdWOUgyM1Y3SDlaTTkgMjFIMjNWMTlIOVYyMVpNOSAxNUgyM1YxM0g5VjE1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-offline-bolt: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDIuMDJjLTUuNTEgMC05Ljk4IDQuNDctOS45OCA5Ljk4czQuNDcgOS45OCA5Ljk4IDkuOTggOS45OC00LjQ3IDkuOTgtOS45OFMxNy41MSAyLjAyIDEyIDIuMDJ6TTExLjQ4IDIwdi02LjI2SDhMMTMgNHY2LjI2aDMuMzVMMTEuNDggMjB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-palette: url(data:image/svg+xml;base64,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);
+  --jp-icon-paste: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE5IDJoLTQuMThDMTQuNC44NCAxMy4zIDAgMTIgMGMtMS4zIDAtMi40Ljg0LTIuODIgMkg1Yy0xLjEgMC0yIC45LTIgMnYxNmMwIDEuMS45IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjRjMC0xLjEtLjktMi0yLTJ6bS03IDBjLjU1IDAgMSAuNDUgMSAxcy0uNDUgMS0xIDEtMS0uNDUtMS0xIC40NS0xIDEtMXptNyAxOEg1VjRoMnYzaDEwVjRoMnYxNnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-pdf: url(data:image/svg+xml;base64,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);
+  --jp-icon-python: url(data:image/svg+xml;base64,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);
+  --jp-icon-r-kernel: url(data:image/svg+xml;base64,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);
+  --jp-icon-react: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMTUwIDE1MCA1NDEuOSAyOTUuMyI+CiAgPGcgY2xhc3M9ImpwLWljb24tYnJhbmQyIGpwLWljb24tc2VsZWN0YWJsZSIgZmlsbD0iIzYxREFGQiI+CiAgICA8cGF0aCBkPSJNNjY2LjMgMjk2LjVjMC0zMi41LTQwLjctNjMuMy0xMDMuMS04Mi40IDE0LjQtNjMuNiA4LTExNC4yLTIwLjItMTMwLjQtNi41LTMuOC0xNC4xLTUuNi0yMi40LTUuNnYyMi4zYzQuNiAwIDguMy45IDExLjQgMi42IDEzLjYgNy44IDE5LjUgMzcuNSAxNC45IDc1LjctMS4xIDkuNC0yLjkgMTkuMy01LjEgMjkuNC0xOS42LTQuOC00MS04LjUtNjMuNS0xMC45LTEzLjUtMTguNS0yNy41LTM1LjMtNDEuNi01MCAzMi42LTMwLjMgNjMuMi00Ni45IDg0LTQ2LjlWNzhjLTI3LjUgMC02My41IDE5LjYtOTkuOSA1My42LTM2LjQtMzMuOC03Mi40LTUzLjItOTkuOS01My4ydjIyLjNjMjAuNyAwIDUxLjQgMTYuNSA4NCA0Ni42LTE0IDE0LjctMjggMzEuNC00MS4zIDQ5LjktMjIuNiAyLjQtNDQgNi4xLTYzLjYgMTEtMi4zLTEwLTQtMTkuNy01LjItMjktNC43LTM4LjIgMS4xLTY3LjkgMTQuNi03NS44IDMtMS44IDYuOS0yLjYgMTEuNS0yLjZWNzguNWMtOC40IDAtMTYgMS44LTIyLjYgNS42LTI4LjEgMTYuMi0zNC40IDY2LjctMTkuOSAxMzAuMS02Mi4yIDE5LjItMTAyLjcgNDkuOS0xMDIuNyA4Mi4zIDAgMzIuNSA0MC43IDYzLjMgMTAzLjEgODIuNC0xNC40IDYzLjYtOCAxMTQuMiAyMC4yIDEzMC40IDYuNSAzLjggMTQuMSA1LjYgMjIuNSA1LjYgMjcuNSAwIDYzLjUtMTkuNiA5OS45LTUzLjYgMzYuNCAzMy44IDcyLjQgNTMuMiA5OS45IDUzLjIgOC40IDAgMTYtMS44IDIyLjYtNS42IDI4LjEtMTYuMiAzNC40LTY2LjcgMTkuOS0xMzAuMSA2Mi0xOS4xIDEwMi41LTQ5LjkgMTAyLjUtODIuM3ptLTEzMC4yLTY2LjdjLTMuNyAxMi45LTguMyAyNi4yLTEzLjUgMzkuNS00LjEtOC04LjQtMTYtMTMuMS0yNC00LjYtOC05LjUtMTUuOC0xNC40LTIzLjQgMTQuMiAyLjEgMjcuOSA0LjcgNDEgNy45em0tNDUuOCAxMDYuNWMtNy44IDEzLjUtMTUuOCAyNi4zLTI0LjEgMzguMi0xNC45IDEuMy0zMCAyLTQ1LjIgMi0xNS4xIDAtMzAuMi0uNy00NS0xLjktOC4zLTExLjktMTYuNC0yNC42LTI0LjItMzgtNy42LTEzLjEtMTQuNS0yNi40LTIwLjgtMzkuOCA2LjItMTMuNCAxMy4yLTI2LjggMjAuNy0zOS45IDcuOC0xMy41IDE1LjgtMjYuMyAyNC4xLTM4LjIgMTQuOS0xLjMgMzAtMiA0NS4yLTIgMTUuMSAwIDMwLjIuNyA0NSAxLjkgOC4zIDExLjkgMTYuNCAyNC42IDI0LjIgMzggNy42IDEzLjEgMTQuNSAyNi40IDIwLjggMzkuOC02LjMgMTMuNC0xMy4yIDI2LjgtMjAuNyAzOS45em0zMi4zLTEzYzUuNCAxMy40IDEwIDI2LjggMTMuOCAzOS44LTEzLjEgMy4yLTI2LjkgNS45LTQxLjIgOCA0LjktNy43IDkuOC0xNS42IDE0LjQtMjMuNyA0LjYtOCA4LjktMTYuMSAxMy0yNC4xek00MjEuMiA0MzBjLTkuMy05LjYtMTguNi0yMC4zLTI3LjgtMzIgOSAuNCAxOC4yLjcgMjcuNS43IDkuNCAwIDE4LjctLjIgMjcuOC0uNy05IDExLjctMTguMyAyMi40LTI3LjUgMzJ6bS03NC40LTU4LjljLTE0LjItMi4xLTI3LjktNC43LTQxLTcuOSAzLjctMTIuOSA4LjMtMjYuMiAxMy41LTM5LjUgNC4xIDggOC40IDE2IDEzLjEgMjQgNC43IDggOS41IDE1LjggMTQuNCAyMy40ek00MjAuNyAxNjNjOS4zIDkuNiAxOC42IDIwLjMgMjcuOCAzMi05LS40LTE4LjItLjctMjcuNS0uNy05LjQgMC0xOC43LjItMjcuOC43IDktMTEuNyAxOC4zLTIyLjQgMjcuNS0zMnptLTc0IDU4LjljLTQuOSA3LjctOS44IDE1LjYtMTQuNCAyMy43LTQuNiA4LTguOSAxNi0xMyAyNC01LjQtMTMuNC0xMC0yNi44LTEzLjgtMzkuOCAxMy4xLTMuMSAyNi45LTUuOCA0MS4yLTcuOXptLTkwLjUgMTI1LjJjLTM1LjQtMTUuMS01OC4zLTM0LjktNTguMy01MC42IDAtMTUuNyAyMi45LTM1LjYgNTguMy01MC42IDguNi0zLjcgMTgtNyAyNy43LTEwLjEgNS43IDE5LjYgMTMuMiA0MCAyMi41IDYwLjktOS4yIDIwLjgtMTYuNiA0MS4xLTIyLjIgNjAuNi05LjktMy4xLTE5LjMtNi41LTI4LTEwLjJ6TTMxMCA0OTBjLTEzLjYtNy44LTE5LjUtMzcuNS0xNC45LTc1LjcgMS4xLTkuNCAyLjktMTkuMyA1LjEtMjkuNCAxOS42IDQuOCA0MSA4LjUgNjMuNSAxMC45IDEzLjUgMTguNSAyNy41IDM1LjMgNDEuNiA1MC0zMi42IDMwLjMtNjMuMiA0Ni45LTg0IDQ2LjktNC41LS4xLTguMy0xLTExLjMtMi43em0yMzcuMi03Ni4yYzQuNyAzOC4yLTEuMSA2Ny45LTE0LjYgNzUuOC0zIDEuOC02LjkgMi42LTExLjUgMi42LTIwLjcgMC01MS40LTE2LjUtODQtNDYuNiAxNC0xNC43IDI4LTMxLjQgNDEuMy00OS45IDIyLjYtMi40IDQ0LTYuMSA2My42LTExIDIuMyAxMC4xIDQuMSAxOS44IDUuMiAyOS4xem0zOC41LTY2LjdjLTguNiAzLjctMTggNy0yNy43IDEwLjEtNS43LTE5LjYtMTMuMi00MC0yMi41LTYwLjkgOS4yLTIwLjggMTYuNi00MS4xIDIyLjItNjAuNiA5LjkgMy4xIDE5LjMgNi41IDI4LjEgMTAuMiAzNS40IDE1LjEgNTguMyAzNC45IDU4LjMgNTAuNi0uMSAxNS43LTIzIDM1LjYtNTguNCA1MC42ek0zMjAuOCA3OC40eiIvPgogICAgPGNpcmNsZSBjeD0iNDIwLjkiIGN5PSIyOTYuNSIgcj0iNDUuNyIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-regex: url(data:image/svg+xml;base64,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);
+  --jp-icon-run: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTggNXYxNGwxMS03eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-search: url(data:image/svg+xml;base64,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);
+  --jp-icon-settings: url(data:image/svg+xml;base64,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);
+  --jp-icon-share: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTSAxOCAyIEMgMTYuMzU0OTkgMiAxNSAzLjM1NDk5MDQgMTUgNSBDIDE1IDUuMTkwOTUyOSAxNS4wMjE3OTEgNS4zNzcxMjI0IDE1LjA1NjY0MSA1LjU1ODU5MzggTCA3LjkyMTg3NSA5LjcyMDcwMzEgQyA3LjM5ODUzOTkgOS4yNzc4NTM5IDYuNzMyMDc3MSA5IDYgOSBDIDQuMzU0OTkwNCA5IDMgMTAuMzU0OTkgMyAxMiBDIDMgMTMuNjQ1MDEgNC4zNTQ5OTA0IDE1IDYgMTUgQyA2LjczMjA3NzEgMTUgNy4zOTg1Mzk5IDE0LjcyMjE0NiA3LjkyMTg3NSAxNC4yNzkyOTcgTCAxNS4wNTY2NDEgMTguNDM5NDUzIEMgMTUuMDIxNTU1IDE4LjYyMTUxNCAxNSAxOC44MDgzODYgMTUgMTkgQyAxNSAyMC42NDUwMSAxNi4zNTQ5OSAyMiAxOCAyMiBDIDE5LjY0NTAxIDIyIDIxIDIwLjY0NTAxIDIxIDE5IEMgMjEgMTcuMzU0OTkgMTkuNjQ1MDEgMTYgMTggMTYgQyAxNy4yNjc0OCAxNiAxNi42MDE1OTMgMTYuMjc5MzI4IDE2LjA3ODEyNSAxNi43MjI2NTYgTCA4Ljk0MzM1OTQgMTIuNTU4NTk0IEMgOC45NzgyMDk1IDEyLjM3NzEyMiA5IDEyLjE5MDk1MyA5IDEyIEMgOSAxMS44MDkwNDcgOC45NzgyMDk1IDExLjYyMjg3OCA4Ljk0MzM1OTQgMTEuNDQxNDA2IEwgMTYuMDc4MTI1IDcuMjc5Mjk2OSBDIDE2LjYwMTQ2IDcuNzIyMTQ2MSAxNy4yNjc5MjMgOCAxOCA4IEMgMTkuNjQ1MDEgOCAyMSA2LjY0NTAwOTYgMjEgNSBDIDIxIDMuMzU0OTkwNCAxOS42NDUwMSAyIDE4IDIgeiBNIDE4IDQgQyAxOC41NjQxMjkgNCAxOSA0LjQzNTg3MDYgMTkgNSBDIDE5IDUuNTY0MTI5NCAxOC41NjQxMjkgNiAxOCA2IEMgMTcuNDM1ODcxIDYgMTcgNS41NjQxMjk0IDE3IDUgQyAxNyA0LjQzNTg3MDYgMTcuNDM1ODcxIDQgMTggNCB6IE0gNiAxMSBDIDYuNTY0MTI5NCAxMSA3IDExLjQzNTg3MSA3IDEyIEMgNyAxMi41NjQxMjkgNi41NjQxMjk0IDEzIDYgMTMgQyA1LjQzNTg3MDYgMTMgNSAxMi41NjQxMjkgNSAxMiBDIDUgMTEuNDM1ODcxIDUuNDM1ODcwNiAxMSA2IDExIHogTSAxOCAxOCBDIDE4LjU2NDEyOSAxOCAxOSAxOC40MzU4NzEgMTkgMTkgQyAxOSAxOS41NjQxMjkgMTguNTY0MTI5IDIwIDE4IDIwIEMgMTcuNDM1ODcxIDIwIDE3IDE5LjU2NDEyOSAxNyAxOSBDIDE3IDE4LjQzNTg3MSAxNy40MzU4NzEgMTggMTggMTggeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-tag: url(data:image/svg+xml;base64,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);
+  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
+  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtdGV4dC1lZGl0b3ItaWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xNSAxNUgzdjJoMTJ2LTJ6bTAtOEgzdjJoMTJWN3pNMyAxM2gxOHYtMkgzdjJ6bTAgOGgxOHYtMkgzdjJ6TTMgM3YyaDE4VjNIM3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-toc: url(data:image/svg+xml;base64,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);
+  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-user: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE2IDdhNCA0IDAgMTEtOCAwIDQgNCAwIDAxOCAwek0xMiAxNGE3IDcgMCAwMC03IDdoMTRhNyA3IDAgMDAtNy03eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-users: url(data:image/svg+xml;base64,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);
+  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-word: url(data:image/svg+xml;base64,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);
+  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+}
 
-.bp3-icon-comparison::before{
-  content:""; }
+/* Icon CSS class declarations */
 
-.bp3-icon-compass::before{
-  content:""; }
+.jp-AddAboveIcon {
+  background-image: var(--jp-icon-add-above);
+}
 
-.bp3-icon-compressed::before{
-  content:""; }
+.jp-AddBelowIcon {
+  background-image: var(--jp-icon-add-below);
+}
 
-.bp3-icon-confirm::before{
-  content:""; }
+.jp-AddIcon {
+  background-image: var(--jp-icon-add);
+}
 
-.bp3-icon-console::before{
-  content:""; }
+.jp-BellIcon {
+  background-image: var(--jp-icon-bell);
+}
 
-.bp3-icon-contrast::before{
-  content:""; }
+.jp-BugDotIcon {
+  background-image: var(--jp-icon-bug-dot);
+}
 
-.bp3-icon-control::before{
-  content:""; }
+.jp-BugIcon {
+  background-image: var(--jp-icon-bug);
+}
 
-.bp3-icon-credit-card::before{
-  content:""; }
+.jp-BuildIcon {
+  background-image: var(--jp-icon-build);
+}
 
-.bp3-icon-cross::before{
-  content:"✗"; }
+.jp-CaretDownEmptyIcon {
+  background-image: var(--jp-icon-caret-down-empty);
+}
 
-.bp3-icon-crown::before{
-  content:""; }
+.jp-CaretDownEmptyThinIcon {
+  background-image: var(--jp-icon-caret-down-empty-thin);
+}
 
-.bp3-icon-cube::before{
-  content:""; }
+.jp-CaretDownIcon {
+  background-image: var(--jp-icon-caret-down);
+}
 
-.bp3-icon-cube-add::before{
-  content:""; }
+.jp-CaretLeftIcon {
+  background-image: var(--jp-icon-caret-left);
+}
 
-.bp3-icon-cube-remove::before{
-  content:""; }
+.jp-CaretRightIcon {
+  background-image: var(--jp-icon-caret-right);
+}
 
-.bp3-icon-curved-range-chart::before{
-  content:""; }
+.jp-CaretUpEmptyThinIcon {
+  background-image: var(--jp-icon-caret-up-empty-thin);
+}
 
-.bp3-icon-cut::before{
-  content:""; }
+.jp-CaretUpIcon {
+  background-image: var(--jp-icon-caret-up);
+}
 
-.bp3-icon-dashboard::before{
-  content:""; }
+.jp-CaseSensitiveIcon {
+  background-image: var(--jp-icon-case-sensitive);
+}
 
-.bp3-icon-data-lineage::before{
-  content:""; }
+.jp-CheckIcon {
+  background-image: var(--jp-icon-check);
+}
 
-.bp3-icon-database::before{
-  content:""; }
+.jp-CircleEmptyIcon {
+  background-image: var(--jp-icon-circle-empty);
+}
 
-.bp3-icon-delete::before{
-  content:""; }
+.jp-CircleIcon {
+  background-image: var(--jp-icon-circle);
+}
 
-.bp3-icon-delta::before{
-  content:"Δ"; }
+.jp-ClearIcon {
+  background-image: var(--jp-icon-clear);
+}
 
-.bp3-icon-derive-column::before{
-  content:""; }
+.jp-CloseIcon {
+  background-image: var(--jp-icon-close);
+}
 
-.bp3-icon-desktop::before{
-  content:""; }
+.jp-CodeCheckIcon {
+  background-image: var(--jp-icon-code-check);
+}
 
-.bp3-icon-diagnosis::before{
-  content:""; }
+.jp-CodeIcon {
+  background-image: var(--jp-icon-code);
+}
 
-.bp3-icon-diagram-tree::before{
-  content:""; }
+.jp-CollapseAllIcon {
+  background-image: var(--jp-icon-collapse-all);
+}
 
-.bp3-icon-direction-left::before{
-  content:""; }
+.jp-ConsoleIcon {
+  background-image: var(--jp-icon-console);
+}
 
-.bp3-icon-direction-right::before{
-  content:""; }
+.jp-CopyIcon {
+  background-image: var(--jp-icon-copy);
+}
 
-.bp3-icon-disable::before{
-  content:""; }
+.jp-CopyrightIcon {
+  background-image: var(--jp-icon-copyright);
+}
 
-.bp3-icon-document::before{
-  content:""; }
+.jp-CutIcon {
+  background-image: var(--jp-icon-cut);
+}
 
-.bp3-icon-document-open::before{
-  content:""; }
+.jp-DeleteIcon {
+  background-image: var(--jp-icon-delete);
+}
 
-.bp3-icon-document-share::before{
-  content:""; }
+.jp-DownloadIcon {
+  background-image: var(--jp-icon-download);
+}
 
-.bp3-icon-dollar::before{
-  content:"$"; }
+.jp-DuplicateIcon {
+  background-image: var(--jp-icon-duplicate);
+}
 
-.bp3-icon-dot::before{
-  content:"•"; }
+.jp-EditIcon {
+  background-image: var(--jp-icon-edit);
+}
 
-.bp3-icon-double-caret-horizontal::before{
-  content:""; }
+.jp-EllipsesIcon {
+  background-image: var(--jp-icon-ellipses);
+}
 
-.bp3-icon-double-caret-vertical::before{
-  content:""; }
+.jp-ErrorIcon {
+  background-image: var(--jp-icon-error);
+}
 
-.bp3-icon-double-chevron-down::before{
-  content:""; }
+.jp-ExpandAllIcon {
+  background-image: var(--jp-icon-expand-all);
+}
 
-.bp3-icon-double-chevron-left::before{
-  content:""; }
+.jp-ExtensionIcon {
+  background-image: var(--jp-icon-extension);
+}
 
-.bp3-icon-double-chevron-right::before{
-  content:""; }
+.jp-FastForwardIcon {
+  background-image: var(--jp-icon-fast-forward);
+}
 
-.bp3-icon-double-chevron-up::before{
-  content:""; }
+.jp-FileIcon {
+  background-image: var(--jp-icon-file);
+}
 
-.bp3-icon-doughnut-chart::before{
-  content:""; }
+.jp-FileUploadIcon {
+  background-image: var(--jp-icon-file-upload);
+}
 
-.bp3-icon-download::before{
-  content:""; }
+.jp-FilterDotIcon {
+  background-image: var(--jp-icon-filter-dot);
+}
 
-.bp3-icon-drag-handle-horizontal::before{
-  content:""; }
+.jp-FilterIcon {
+  background-image: var(--jp-icon-filter);
+}
 
-.bp3-icon-drag-handle-vertical::before{
-  content:""; }
+.jp-FilterListIcon {
+  background-image: var(--jp-icon-filter-list);
+}
 
-.bp3-icon-draw::before{
-  content:""; }
+.jp-FolderFavoriteIcon {
+  background-image: var(--jp-icon-folder-favorite);
+}
 
-.bp3-icon-drive-time::before{
-  content:""; }
+.jp-FolderIcon {
+  background-image: var(--jp-icon-folder);
+}
 
-.bp3-icon-duplicate::before{
-  content:""; }
+.jp-HomeIcon {
+  background-image: var(--jp-icon-home);
+}
 
-.bp3-icon-edit::before{
-  content:"✎"; }
+.jp-Html5Icon {
+  background-image: var(--jp-icon-html5);
+}
 
-.bp3-icon-eject::before{
-  content:"⏏"; }
+.jp-ImageIcon {
+  background-image: var(--jp-icon-image);
+}
 
-.bp3-icon-endorsed::before{
-  content:""; }
+.jp-InfoIcon {
+  background-image: var(--jp-icon-info);
+}
 
-.bp3-icon-envelope::before{
-  content:"✉"; }
+.jp-InspectorIcon {
+  background-image: var(--jp-icon-inspector);
+}
 
-.bp3-icon-equals::before{
-  content:""; }
+.jp-JsonIcon {
+  background-image: var(--jp-icon-json);
+}
 
-.bp3-icon-eraser::before{
-  content:""; }
+.jp-JuliaIcon {
+  background-image: var(--jp-icon-julia);
+}
 
-.bp3-icon-error::before{
-  content:""; }
+.jp-JupyterFaviconIcon {
+  background-image: var(--jp-icon-jupyter-favicon);
+}
 
-.bp3-icon-euro::before{
-  content:"€"; }
+.jp-JupyterIcon {
+  background-image: var(--jp-icon-jupyter);
+}
 
-.bp3-icon-exchange::before{
-  content:""; }
+.jp-JupyterlabWordmarkIcon {
+  background-image: var(--jp-icon-jupyterlab-wordmark);
+}
 
-.bp3-icon-exclude-row::before{
-  content:""; }
+.jp-KernelIcon {
+  background-image: var(--jp-icon-kernel);
+}
 
-.bp3-icon-expand-all::before{
-  content:""; }
+.jp-KeyboardIcon {
+  background-image: var(--jp-icon-keyboard);
+}
 
-.bp3-icon-export::before{
-  content:""; }
+.jp-LaunchIcon {
+  background-image: var(--jp-icon-launch);
+}
 
-.bp3-icon-eye-off::before{
-  content:""; }
+.jp-LauncherIcon {
+  background-image: var(--jp-icon-launcher);
+}
 
-.bp3-icon-eye-on::before{
-  content:""; }
+.jp-LineFormIcon {
+  background-image: var(--jp-icon-line-form);
+}
 
-.bp3-icon-eye-open::before{
-  content:""; }
+.jp-LinkIcon {
+  background-image: var(--jp-icon-link);
+}
 
-.bp3-icon-fast-backward::before{
-  content:""; }
+.jp-ListIcon {
+  background-image: var(--jp-icon-list);
+}
 
-.bp3-icon-fast-forward::before{
-  content:""; }
+.jp-MarkdownIcon {
+  background-image: var(--jp-icon-markdown);
+}
 
-.bp3-icon-feed::before{
-  content:""; }
+.jp-MoveDownIcon {
+  background-image: var(--jp-icon-move-down);
+}
 
-.bp3-icon-feed-subscribed::before{
-  content:""; }
+.jp-MoveUpIcon {
+  background-image: var(--jp-icon-move-up);
+}
 
-.bp3-icon-film::before{
-  content:""; }
+.jp-NewFolderIcon {
+  background-image: var(--jp-icon-new-folder);
+}
 
-.bp3-icon-filter::before{
-  content:""; }
+.jp-NotTrustedIcon {
+  background-image: var(--jp-icon-not-trusted);
+}
 
-.bp3-icon-filter-keep::before{
-  content:""; }
+.jp-NotebookIcon {
+  background-image: var(--jp-icon-notebook);
+}
 
-.bp3-icon-filter-list::before{
-  content:""; }
+.jp-NumberingIcon {
+  background-image: var(--jp-icon-numbering);
+}
 
-.bp3-icon-filter-open::before{
-  content:""; }
+.jp-OfflineBoltIcon {
+  background-image: var(--jp-icon-offline-bolt);
+}
 
-.bp3-icon-filter-remove::before{
-  content:""; }
+.jp-PaletteIcon {
+  background-image: var(--jp-icon-palette);
+}
 
-.bp3-icon-flag::before{
-  content:"⚑"; }
+.jp-PasteIcon {
+  background-image: var(--jp-icon-paste);
+}
 
-.bp3-icon-flame::before{
-  content:""; }
+.jp-PdfIcon {
+  background-image: var(--jp-icon-pdf);
+}
 
-.bp3-icon-flash::before{
-  content:""; }
+.jp-PythonIcon {
+  background-image: var(--jp-icon-python);
+}
 
-.bp3-icon-floppy-disk::before{
-  content:""; }
+.jp-RKernelIcon {
+  background-image: var(--jp-icon-r-kernel);
+}
 
-.bp3-icon-flow-branch::before{
-  content:""; }
+.jp-ReactIcon {
+  background-image: var(--jp-icon-react);
+}
 
-.bp3-icon-flow-end::before{
-  content:""; }
+.jp-RedoIcon {
+  background-image: var(--jp-icon-redo);
+}
 
-.bp3-icon-flow-linear::before{
-  content:""; }
+.jp-RefreshIcon {
+  background-image: var(--jp-icon-refresh);
+}
 
-.bp3-icon-flow-review::before{
-  content:""; }
+.jp-RegexIcon {
+  background-image: var(--jp-icon-regex);
+}
 
-.bp3-icon-flow-review-branch::before{
-  content:""; }
+.jp-RunIcon {
+  background-image: var(--jp-icon-run);
+}
 
-.bp3-icon-flows::before{
-  content:""; }
+.jp-RunningIcon {
+  background-image: var(--jp-icon-running);
+}
 
-.bp3-icon-folder-close::before{
-  content:""; }
+.jp-SaveIcon {
+  background-image: var(--jp-icon-save);
+}
 
-.bp3-icon-folder-new::before{
-  content:""; }
+.jp-SearchIcon {
+  background-image: var(--jp-icon-search);
+}
 
-.bp3-icon-folder-open::before{
-  content:""; }
+.jp-SettingsIcon {
+  background-image: var(--jp-icon-settings);
+}
 
-.bp3-icon-folder-shared::before{
-  content:""; }
+.jp-ShareIcon {
+  background-image: var(--jp-icon-share);
+}
 
-.bp3-icon-folder-shared-open::before{
-  content:""; }
+.jp-SpreadsheetIcon {
+  background-image: var(--jp-icon-spreadsheet);
+}
 
-.bp3-icon-follower::before{
-  content:""; }
+.jp-StopIcon {
+  background-image: var(--jp-icon-stop);
+}
 
-.bp3-icon-following::before{
-  content:""; }
+.jp-TabIcon {
+  background-image: var(--jp-icon-tab);
+}
 
-.bp3-icon-font::before{
-  content:""; }
+.jp-TableRowsIcon {
+  background-image: var(--jp-icon-table-rows);
+}
 
-.bp3-icon-fork::before{
-  content:""; }
+.jp-TagIcon {
+  background-image: var(--jp-icon-tag);
+}
 
-.bp3-icon-form::before{
-  content:""; }
+.jp-TerminalIcon {
+  background-image: var(--jp-icon-terminal);
+}
 
-.bp3-icon-full-circle::before{
-  content:""; }
+.jp-TextEditorIcon {
+  background-image: var(--jp-icon-text-editor);
+}
 
-.bp3-icon-full-stacked-chart::before{
-  content:""; }
+.jp-TocIcon {
+  background-image: var(--jp-icon-toc);
+}
 
-.bp3-icon-fullscreen::before{
-  content:""; }
+.jp-TreeViewIcon {
+  background-image: var(--jp-icon-tree-view);
+}
 
-.bp3-icon-function::before{
-  content:""; }
+.jp-TrustedIcon {
+  background-image: var(--jp-icon-trusted);
+}
 
-.bp3-icon-gantt-chart::before{
-  content:""; }
+.jp-UndoIcon {
+  background-image: var(--jp-icon-undo);
+}
 
-.bp3-icon-geolocation::before{
-  content:""; }
+.jp-UserIcon {
+  background-image: var(--jp-icon-user);
+}
 
-.bp3-icon-geosearch::before{
-  content:""; }
+.jp-UsersIcon {
+  background-image: var(--jp-icon-users);
+}
 
-.bp3-icon-git-branch::before{
-  content:""; }
+.jp-VegaIcon {
+  background-image: var(--jp-icon-vega);
+}
 
-.bp3-icon-git-commit::before{
-  content:""; }
+.jp-WordIcon {
+  background-image: var(--jp-icon-word);
+}
 
-.bp3-icon-git-merge::before{
-  content:""; }
+.jp-YamlIcon {
+  background-image: var(--jp-icon-yaml);
+}
 
-.bp3-icon-git-new-branch::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-git-pull::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-git-push::before{
-  content:""; }
+.jp-Icon,
+.jp-MaterialIcon {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-git-repo::before{
-  content:""; }
+.jp-Icon-cover {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: cover;
+}
 
-.bp3-icon-glass::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for specific CSS icon sizes
+ */
 
-.bp3-icon-globe::before{
-  content:""; }
+.jp-Icon-16 {
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-globe-network::before{
-  content:""; }
+.jp-Icon-18 {
+  background-size: 18px;
+  min-width: 18px;
+  min-height: 18px;
+}
 
-.bp3-icon-graph::before{
-  content:""; }
+.jp-Icon-20 {
+  background-size: 20px;
+  min-width: 20px;
+  min-height: 20px;
+}
 
-.bp3-icon-graph-remove::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-greater-than::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton {
+  align-items: center;
+  display: flex;
+  padding: 4px;
+  padding-bottom: 5px;
+  margin-right: 1px;
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-greater-than-or-equal-to::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton:hover {
+  background-color: var(--jp-layout-color1);
+}
 
-.bp3-icon-grid::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-tab {
+  width: var(--jp-private-horizontal-tab-width);
+}
 
-.bp3-icon-grid-view::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-content {
+  flex: unset;
+}
 
-.bp3-icon-group-objects::before{
-  content:""; }
+.lm-DockPanel-tabBar[data-orientation='horizontal'] {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-grouped-bar-chart::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-hand::before{
-  content:""; }
+/**
+ * Support for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-hand-down::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-hand-left::before{
-  content:""; }
+.jp-icon1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-hand-right::before{
-  content:""; }
+.jp-icon2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-hand-up::before{
-  content:""; }
+.jp-icon3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-header::before{
-  content:""; }
+.jp-icon4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-header-one::before{
-  content:""; }
+.jp-icon0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-header-two::before{
-  content:""; }
+.jp-icon1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-headset::before{
-  content:""; }
+.jp-icon2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-heart::before{
-  content:"♥"; }
+.jp-icon3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-heart-broken::before{
-  content:""; }
+.jp-icon4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-heat-grid::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-accent0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-heatmap::before{
-  content:""; }
+.jp-icon-accent1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-help::before{
-  content:"?"; }
+.jp-icon-accent2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-helper-management::before{
-  content:""; }
+.jp-icon-accent3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-highlight::before{
-  content:""; }
+.jp-icon-accent4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-history::before{
-  content:""; }
+.jp-icon-accent0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-home::before{
-  content:"⌂"; }
+.jp-icon-accent1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-horizontal-bar-chart::before{
-  content:""; }
+.jp-icon-accent2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-horizontal-bar-chart-asc::before{
-  content:""; }
+.jp-icon-accent3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-horizontal-bar-chart-desc::before{
-  content:""; }
+.jp-icon-accent4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-horizontal-distribution::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-none[fill] {
+  fill: none;
+}
 
-.bp3-icon-id-number::before{
-  content:""; }
+.jp-icon-none[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-image-rotate-left::before{
-  content:""; }
+/* brand icon colors. Same for light and dark */
+.jp-icon-brand0[fill] {
+  fill: var(--jp-brand-color0);
+}
 
-.bp3-icon-image-rotate-right::before{
-  content:""; }
+.jp-icon-brand1[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-import::before{
-  content:""; }
+.jp-icon-brand2[fill] {
+  fill: var(--jp-brand-color2);
+}
 
-.bp3-icon-inbox::before{
-  content:""; }
+.jp-icon-brand3[fill] {
+  fill: var(--jp-brand-color3);
+}
 
-.bp3-icon-inbox-filtered::before{
-  content:""; }
+.jp-icon-brand4[fill] {
+  fill: var(--jp-brand-color4);
+}
 
-.bp3-icon-inbox-geo::before{
-  content:""; }
+.jp-icon-brand0[stroke] {
+  stroke: var(--jp-brand-color0);
+}
 
-.bp3-icon-inbox-search::before{
-  content:""; }
+.jp-icon-brand1[stroke] {
+  stroke: var(--jp-brand-color1);
+}
 
-.bp3-icon-inbox-update::before{
-  content:""; }
+.jp-icon-brand2[stroke] {
+  stroke: var(--jp-brand-color2);
+}
 
-.bp3-icon-info-sign::before{
-  content:"ℹ"; }
+.jp-icon-brand3[stroke] {
+  stroke: var(--jp-brand-color3);
+}
 
-.bp3-icon-inheritance::before{
-  content:""; }
+.jp-icon-brand4[stroke] {
+  stroke: var(--jp-brand-color4);
+}
 
-.bp3-icon-inner-join::before{
-  content:""; }
+/* warn icon colors. Same for light and dark */
+.jp-icon-warn0[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-insert::before{
-  content:""; }
+.jp-icon-warn1[fill] {
+  fill: var(--jp-warn-color1);
+}
 
-.bp3-icon-intersection::before{
-  content:""; }
+.jp-icon-warn2[fill] {
+  fill: var(--jp-warn-color2);
+}
 
-.bp3-icon-ip-address::before{
-  content:""; }
+.jp-icon-warn3[fill] {
+  fill: var(--jp-warn-color3);
+}
 
-.bp3-icon-issue::before{
-  content:""; }
+.jp-icon-warn0[stroke] {
+  stroke: var(--jp-warn-color0);
+}
 
-.bp3-icon-issue-closed::before{
-  content:""; }
+.jp-icon-warn1[stroke] {
+  stroke: var(--jp-warn-color1);
+}
 
-.bp3-icon-issue-new::before{
-  content:""; }
+.jp-icon-warn2[stroke] {
+  stroke: var(--jp-warn-color2);
+}
 
-.bp3-icon-italic::before{
-  content:""; }
+.jp-icon-warn3[stroke] {
+  stroke: var(--jp-warn-color3);
+}
 
-.bp3-icon-join-table::before{
-  content:""; }
+/* icon colors that contrast well with each other and most backgrounds */
+.jp-icon-contrast0[fill] {
+  fill: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key::before{
-  content:""; }
+.jp-icon-contrast1[fill] {
+  fill: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-backspace::before{
-  content:""; }
+.jp-icon-contrast2[fill] {
+  fill: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-command::before{
-  content:""; }
+.jp-icon-contrast3[fill] {
+  fill: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-control::before{
-  content:""; }
-
-.bp3-icon-key-delete::before{
-  content:""; }
+.jp-icon-contrast0[stroke] {
+  stroke: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key-enter::before{
-  content:""; }
+.jp-icon-contrast1[stroke] {
+  stroke: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-escape::before{
-  content:""; }
+.jp-icon-contrast2[stroke] {
+  stroke: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-option::before{
-  content:""; }
+.jp-icon-contrast3[stroke] {
+  stroke: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-shift::before{
-  content:""; }
+.jp-icon-dot[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-key-tab::before{
-  content:""; }
+.jp-jupyter-icon-color[fill] {
+  fill: var(--jp-jupyter-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-known-vehicle::before{
-  content:""; }
+.jp-notebook-icon-color[fill] {
+  fill: var(--jp-notebook-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-lab-test::before{
-  content:""; }
+.jp-json-icon-color[fill] {
+  fill: var(--jp-json-icon-color, var(--jp-warn-color1));
+}
 
-.bp3-icon-label::before{
-  content:""; }
+.jp-console-icon-color[fill] {
+  fill: var(--jp-console-icon-color, white);
+}
 
-.bp3-icon-layer::before{
-  content:""; }
+.jp-console-icon-background-color[fill] {
+  fill: var(--jp-console-icon-background-color, var(--jp-brand-color1));
+}
 
-.bp3-icon-layers::before{
-  content:""; }
+.jp-terminal-icon-color[fill] {
+  fill: var(--jp-terminal-icon-color, var(--jp-layout-color2));
+}
 
-.bp3-icon-layout::before{
-  content:""; }
+.jp-terminal-icon-background-color[fill] {
+  fill: var(
+    --jp-terminal-icon-background-color,
+    var(--jp-inverse-layout-color2)
+  );
+}
 
-.bp3-icon-layout-auto::before{
-  content:""; }
+.jp-text-editor-icon-color[fill] {
+  fill: var(--jp-text-editor-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-balloon::before{
-  content:""; }
+.jp-inspector-icon-color[fill] {
+  fill: var(--jp-inspector-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-circle::before{
-  content:""; }
+/* CSS for icons in selected filebrowser listing items */
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-layout-grid::before{
-  content:""; }
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-layout-group-by::before{
-  content:""; }
+/* stylelint-disable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-hierarchy::before{
-  content:""; }
+/**
+* TODO: come up with non css-hack solution for showing the busy icon on top
+*  of the close icon
+* CSS for complex behavior of close icon of tabs in the main area tabbar
+*/
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon3[fill] {
+  fill: none;
+}
 
-.bp3-icon-layout-linear::before{
-  content:""; }
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon-busy[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-layout-skew-grid::before{
-  content:""; }
+/* stylelint-enable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-sorted-clusters::before{
-  content:""; }
+/* CSS for icons in status bar */
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-learning::before{
-  content:""; }
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-left-join::before{
-  content:""; }
+/* special handling for splash icon CSS. While the theme CSS reloads during
+   splash, the splash icon can loose theming. To prevent that, we set a
+   default for its color variable */
+:root {
+  --jp-warn-color0: var(--md-orange-700);
+}
 
-.bp3-icon-less-than::before{
-  content:""; }
+/* not sure what to do with this one, used in filebrowser listing */
+.jp-DragIcon {
+  margin-right: 4px;
+}
 
-.bp3-icon-less-than-or-equal-to::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-lifesaver::before{
-  content:""; }
+/**
+ * Support for alt colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-lightbulb::before{
-  content:""; }
+/* alt recolor the primary elements of an icon */
+.jp-icon-alt .jp-icon0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-link::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-list::before{
-  content:"☰"; }
+.jp-icon-alt .jp-icon2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-list-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-list-detail-view::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-locate::before{
-  content:""; }
+.jp-icon-alt .jp-icon0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-lock::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-log-in::before{
-  content:""; }
+.jp-icon-alt .jp-icon2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-log-out::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-manual::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-manually-entered-data::before{
-  content:""; }
+/* alt recolor the accent elements of an icon */
+.jp-icon-alt .jp-icon-accent0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-map::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-map-create::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-map-marker::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-maximize::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-media::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-menu::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-menu-closed::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-menu-open::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-merge-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-merge-links::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-minimize::before{
-  content:""; }
+.jp-icon-hoverShow:not(:hover) .jp-icon-hoverShow-content {
+  display: none !important;
+}
 
-.bp3-icon-minus::before{
-  content:"−"; }
+/**
+ * Support for hover colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-mobile-phone::before{
-  content:""; }
+/**
+ * regular colors
+ */
 
-.bp3-icon-mobile-video::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon-hover :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-moon::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-more::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-mountain::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-move::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-mugshot::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-multi-select::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-music::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-new-drawing::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-new-grid-item::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-new-layer::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-layers::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-new-link::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-new-object::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-new-person::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-new-prescription::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-text-box::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-ninja::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-not-equal-to::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-notifications::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-notifications-updated::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-hover :hover .jp-icon-none-hover[fill] {
+  fill: none;
+}
 
-.bp3-icon-numbered-list::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-numerical::before{
-  content:""; }
+/**
+ * inverse colors
+ */
 
-.bp3-icon-office::before{
-  content:""; }
+/* inverse recolor the primary elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-offline::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-oil-field::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-one-column::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-outdated::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-page-layout::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-panel-stats::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-panel-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-paperclip::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-paragraph::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-path::before{
-  content:""; }
+/* inverse recolor the accent elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-path-search::before{
-  content:""; }
-
-.bp3-icon-pause::before{
-  content:""; }
-
-.bp3-icon-people::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-percentage::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-person::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-phone::before{
-  content:"☎"; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-pie-chart::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-pin::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-pivot::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-pivot-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-play::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-plus::before{
-  content:"+"; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-polygon-filter::before{
-  content:""; }
+.jp-IFrame {
+  width: 100%;
+  height: 100%;
+}
 
-.bp3-icon-power::before{
-  content:""; }
+.jp-IFrame > iframe {
+  border: none;
+}
 
-.bp3-icon-predictive-analysis::before{
-  content:""; }
+/*
+When drag events occur, `lm-mod-override-cursor` is added to the body.
+Because iframes steal all cursor events, the following two rules are necessary
+to suppress pointer events while resize drags are occurring. There may be a
+better solution to this problem.
+*/
+body.lm-mod-override-cursor .jp-IFrame {
+  position: relative;
+}
 
-.bp3-icon-prescription::before{
-  content:""; }
+body.lm-mod-override-cursor .jp-IFrame::before {
+  content: '';
+  position: absolute;
+  top: 0;
+  left: 0;
+  right: 0;
+  bottom: 0;
+  background: transparent;
+}
 
-.bp3-icon-presentation::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-print::before{
-  content:"⎙"; }
+.jp-HoverBox {
+  position: fixed;
+}
 
-.bp3-icon-projects::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-properties::before{
-  content:""; }
+.jp-FormGroup-content fieldset {
+  border: none;
+  padding: 0;
+  min-width: 0;
+  width: 100%;
+}
 
-.bp3-icon-property::before{
-  content:""; }
+/* stylelint-disable selector-max-type */
 
-.bp3-icon-publish-function::before{
-  content:""; }
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper input,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper select,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper textarea {
+  font-size: var(--jp-content-font-size2);
+  border-color: var(--jp-input-border-color);
+  border-style: solid;
+  border-radius: var(--jp-border-radius);
+  border-width: 1px;
+  padding: 6px 8px;
+  background: none;
+  color: var(--jp-ui-font-color0);
+  height: inherit;
+}
 
-.bp3-icon-pulse::before{
-  content:""; }
+.jp-FormGroup-content fieldset input[type='checkbox'] {
+  position: relative;
+  top: 2px;
+  margin-left: 0;
+}
 
-.bp3-icon-random::before{
-  content:""; }
+.jp-FormGroup-content button.jp-mod-styled {
+  cursor: pointer;
+}
 
-.bp3-icon-record::before{
-  content:""; }
+.jp-FormGroup-content .checkbox label {
+  cursor: pointer;
+  font-size: var(--jp-content-font-size1);
+}
 
-.bp3-icon-redo::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > legend {
+  display: none;
+}
 
-.bp3-icon-refresh::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > p {
+  display: none;
+}
 
-.bp3-icon-regression-chart::before{
-  content:""; }
+/** copy of `input.jp-mod-styled:focus` style */
+.jp-FormGroup-content fieldset input:focus,
+.jp-FormGroup-content fieldset select:focus {
+  -moz-outline-radius: unset;
+  outline: var(--jp-border-width) solid var(--md-blue-500);
+  outline-offset: -1px;
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-remove::before{
-  content:""; }
+.jp-FormGroup-content fieldset input:hover:not(:focus),
+.jp-FormGroup-content fieldset select:hover:not(:focus) {
+  background-color: var(--jp-border-color2);
+}
 
-.bp3-icon-remove-column::before{
-  content:""; }
+/* stylelint-enable selector-max-type */
 
-.bp3-icon-remove-column-left::before{
-  content:""; }
+.jp-FormGroup-content .checkbox .field-description {
+  /* Disable default description field for checkbox:
+   because other widgets do not have description fields,
+   we add descriptions to each widget on the field level.
+  */
+  display: none;
+}
 
-.bp3-icon-remove-column-right::before{
-  content:""; }
+.jp-FormGroup-content #root__description {
+  display: none;
+}
 
-.bp3-icon-remove-row-bottom::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator {
+  width: 5px;
+  background-color: var(--jp-brand-color2);
+  margin-top: 0;
+  margin-left: calc(var(--jp-private-settingeditor-modifier-indent) * -1);
+  flex-shrink: 0;
+}
 
-.bp3-icon-remove-row-top::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator.jp-errorIndicator {
+  background-color: var(--jp-error-color0);
+  margin-right: 0.5em;
+}
 
-.bp3-icon-repeat::before{
-  content:""; }
+/* RJSF ARRAY style */
 
-.bp3-icon-reset::before{
-  content:""; }
+.jp-arrayFieldWrapper legend {
+  font-size: var(--jp-content-font-size2);
+  color: var(--jp-ui-font-color0);
+  flex-basis: 100%;
+  padding: 4px 0;
+  font-weight: var(--jp-content-heading-font-weight);
+  border-bottom: 1px solid var(--jp-border-color2);
+}
 
-.bp3-icon-resolve::before{
-  content:""; }
+.jp-arrayFieldWrapper .field-description {
+  padding: 4px 0;
+  white-space: pre-wrap;
+}
 
-.bp3-icon-rig::before{
-  content:""; }
+.jp-arrayFieldWrapper .array-item {
+  width: 100%;
+  border: 1px solid var(--jp-border-color2);
+  border-radius: 4px;
+  margin: 4px;
+}
 
-.bp3-icon-right-join::before{
-  content:""; }
+.jp-ArrayOperations {
+  display: flex;
+  margin-left: 8px;
+}
 
-.bp3-icon-ring::before{
-  content:""; }
+.jp-ArrayOperationsButton {
+  margin: 2px;
+}
 
-.bp3-icon-rotate-document::before{
-  content:""; }
+.jp-ArrayOperationsButton .jp-icon3[fill] {
+  fill: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-rotate-page::before{
-  content:""; }
+button.jp-ArrayOperationsButton.jp-mod-styled:disabled {
+  cursor: not-allowed;
+  opacity: 0.5;
+}
 
-.bp3-icon-satellite::before{
-  content:""; }
+/* RJSF form validation error */
 
-.bp3-icon-saved::before{
-  content:""; }
+.jp-FormGroup-content .validationErrors {
+  color: var(--jp-error-color0);
+}
 
-.bp3-icon-scatter-plot::before{
-  content:""; }
+/* Hide panel level error as duplicated the field level error */
+.jp-FormGroup-content .panel.errors {
+  display: none;
+}
 
-.bp3-icon-search::before{
-  content:""; }
+/* RJSF normal content (settings-editor) */
 
-.bp3-icon-search-around::before{
-  content:""; }
+.jp-FormGroup-contentNormal {
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-search-template::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-contentItem {
+  margin-left: 7px;
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-search-text::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-description {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-segmented-control::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-default {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-select::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-fieldLabel {
+  font-size: var(--jp-content-font-size1);
+  font-weight: normal;
+  min-width: 120px;
+}
 
-.bp3-icon-selection::before{
-  content:"⦿"; }
+.jp-FormGroup-contentNormal fieldset:not(:first-child) {
+  margin-left: 7px;
+}
 
-.bp3-icon-send-to::before{
-  content:""; }
+.jp-FormGroup-contentNormal .field-array-of-string .array-item {
+  /* Display `jp-ArrayOperations` buttons side-by-side with content except
+    for small screens where flex-wrap will place them one below the other.
+  */
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-send-to-graph::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-objectFieldWrapper .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-send-to-map::before{
-  content:""; }
+/* RJSF compact content (metadata-form) */
 
-.bp3-icon-series-add::before{
-  content:""; }
+.jp-FormGroup-content.jp-FormGroup-contentCompact {
+  width: 100%;
+}
 
-.bp3-icon-series-configuration::before{
-  content:""; }
+.jp-FormGroup-contentCompact .form-group {
+  display: flex;
+  padding: 0.5em 0.2em 0.5em 0;
+}
 
-.bp3-icon-series-derived::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-FormGroup-compactTitle
+  .jp-FormGroup-description {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-series-filtered::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-FormGroup-fieldLabel {
+  padding-bottom: 0.3em;
+}
 
-.bp3-icon-series-search::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-inputFieldWrapper .form-control {
+  width: 100%;
+  box-sizing: border-box;
+}
 
-.bp3-icon-settings::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-arrayFieldWrapper .jp-FormGroup-compactTitle {
+  padding-bottom: 7px;
+}
 
-.bp3-icon-share::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-objectFieldWrapper
+  .jp-objectFieldWrapper
+  .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-shield::before{
-  content:""; }
+.jp-FormGroup-contentCompact ul.error-detail {
+  margin-block-start: 0.5em;
+  margin-block-end: 0.5em;
+  padding-inline-start: 1em;
+}
 
-.bp3-icon-shop::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-.bp3-icon-shopping-cart::before{
-  content:""; }
+.jp-SidePanel {
+  display: flex;
+  flex-direction: column;
+  min-width: var(--jp-sidebar-min-width);
+  overflow-y: auto;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+  font-size: var(--jp-ui-font-size1);
+}
 
-.bp3-icon-signal-search::before{
-  content:""; }
+.jp-SidePanel-header {
+  flex: 0 0 auto;
+  display: flex;
+  border-bottom: var(--jp-border-width) solid var(--jp-border-color2);
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin: 0;
+  padding: 2px;
+  text-transform: uppercase;
+}
 
-.bp3-icon-sim-card::before{
-  content:""; }
+.jp-SidePanel-toolbar {
+  flex: 0 0 auto;
+}
 
-.bp3-icon-slash::before{
-  content:""; }
+.jp-SidePanel-content {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-small-cross::before{
-  content:""; }
+.jp-SidePanel-toolbar,
+.jp-AccordionPanel-toolbar {
+  height: var(--jp-private-toolbar-height);
+}
 
-.bp3-icon-small-minus::before{
-  content:""; }
+.jp-SidePanel-toolbar.jp-Toolbar-micro {
+  display: none;
+}
 
-.bp3-icon-small-plus::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-title {
+  box-sizing: border-box;
+  line-height: 25px;
+  margin: 0;
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  font-size: var(--jp-ui-font-size0);
+}
 
-.bp3-icon-small-tick::before{
-  content:""; }
+.jp-AccordionPanel-title {
+  cursor: pointer;
+  user-select: none;
+  -moz-user-select: none;
+  -webkit-user-select: none;
+  text-transform: uppercase;
+}
 
-.bp3-icon-snowflake::before{
-  content:""; }
+.lm-AccordionPanel[data-orientation='horizontal'] > .jp-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
 
-.bp3-icon-social-media::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleLabel {
+  user-select: none;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+  overflow: hidden;
+}
 
-.bp3-icon-sort::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleCollapser {
+  transform: rotate(-90deg);
+  margin: auto 0;
+  height: 16px;
+}
 
-.bp3-icon-sort-alphabetical::before{
-  content:""; }
+.jp-AccordionPanel-title.lm-mod-expanded .lm-AccordionPanel-titleCollapser {
+  transform: rotate(0deg);
+}
 
-.bp3-icon-sort-alphabetical-desc::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-toolbar {
+  background: none;
+  box-shadow: none;
+  border: none;
+  margin-left: auto;
+}
 
-.bp3-icon-sort-asc::before{
-  content:""; }
+.lm-AccordionPanel .lm-SplitPanel-handle:hover {
+  background: var(--jp-layout-color3);
+}
 
-.bp3-icon-sort-desc::before{
-  content:""; }
+.jp-text-truncated {
+  overflow: hidden;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+}
 
-.bp3-icon-sort-numerical::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-sort-numerical-desc::before{
-  content:""; }
+.jp-Spinner {
+  position: absolute;
+  display: flex;
+  justify-content: center;
+  align-items: center;
+  z-index: 10;
+  left: 0;
+  top: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-layout-color0);
+  outline: none;
+}
 
-.bp3-icon-split-columns::before{
-  content:""; }
+.jp-SpinnerContent {
+  font-size: 10px;
+  margin: 50px auto;
+  text-indent: -9999em;
+  width: 3em;
+  height: 3em;
+  border-radius: 50%;
+  background: var(--jp-brand-color3);
+  background: linear-gradient(
+    to right,
+    #f37626 10%,
+    rgba(255, 255, 255, 0) 42%
+  );
+  position: relative;
+  animation: load3 1s infinite linear, fadeIn 1s;
+}
 
-.bp3-icon-square::before{
-  content:""; }
+.jp-SpinnerContent::before {
+  width: 50%;
+  height: 50%;
+  background: #f37626;
+  border-radius: 100% 0 0;
+  position: absolute;
+  top: 0;
+  left: 0;
+  content: '';
+}
 
-.bp3-icon-stacked-chart::before{
-  content:""; }
-
-.bp3-icon-star::before{
-  content:"★"; }
+.jp-SpinnerContent::after {
+  background: var(--jp-layout-color0);
+  width: 75%;
+  height: 75%;
+  border-radius: 50%;
+  content: '';
+  margin: auto;
+  position: absolute;
+  top: 0;
+  left: 0;
+  bottom: 0;
+  right: 0;
+}
 
-.bp3-icon-star-empty::before{
-  content:"☆"; }
+@keyframes fadeIn {
+  0% {
+    opacity: 0;
+  }
 
-.bp3-icon-step-backward::before{
-  content:""; }
+  100% {
+    opacity: 1;
+  }
+}
 
-.bp3-icon-step-chart::before{
-  content:""; }
+@keyframes load3 {
+  0% {
+    transform: rotate(0deg);
+  }
 
-.bp3-icon-step-forward::before{
-  content:""; }
+  100% {
+    transform: rotate(360deg);
+  }
+}
 
-.bp3-icon-stop::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-stopwatch::before{
-  content:""; }
+button.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: none;
+  box-sizing: border-box;
+  text-align: center;
+  line-height: 32px;
+  height: 32px;
+  padding: 0 12px;
+  letter-spacing: 0.8px;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-strikethrough::before{
-  content:""; }
+input.jp-mod-styled {
+  background: var(--jp-input-background);
+  height: 28px;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+  padding-left: 7px;
+  padding-right: 7px;
+  font-size: var(--jp-ui-font-size2);
+  color: var(--jp-ui-font-color0);
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-style::before{
-  content:""; }
+input[type='checkbox'].jp-mod-styled {
+  appearance: checkbox;
+  -webkit-appearance: checkbox;
+  -moz-appearance: checkbox;
+  height: auto;
+}
 
-.bp3-icon-swap-horizontal::before{
-  content:""; }
+input.jp-mod-styled:focus {
+  border: var(--jp-border-width) solid var(--md-blue-500);
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-swap-vertical::before{
-  content:""; }
+.jp-select-wrapper {
+  display: flex;
+  position: relative;
+  flex-direction: column;
+  padding: 1px;
+  background-color: var(--jp-layout-color1);
+  box-sizing: border-box;
+  margin-bottom: 12px;
+}
 
-.bp3-icon-symbol-circle::before{
-  content:""; }
+.jp-select-wrapper:not(.multiple) {
+  height: 28px;
+}
 
-.bp3-icon-symbol-cross::before{
-  content:""; }
+.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
+  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
+  box-shadow: var(--jp-input-box-shadow);
+  background-color: var(--jp-input-active-background);
+}
 
-.bp3-icon-symbol-diamond::before{
-  content:""; }
+select.jp-mod-styled:hover {
+  cursor: pointer;
+  color: var(--jp-ui-font-color0);
+  background-color: var(--jp-input-hover-background);
+  box-shadow: inset 0 0 1px rgba(0, 0, 0, 0.5);
+}
 
-.bp3-icon-symbol-square::before{
-  content:""; }
+select.jp-mod-styled {
+  flex: 1 1 auto;
+  width: 100%;
+  font-size: var(--jp-ui-font-size2);
+  background: var(--jp-input-background);
+  color: var(--jp-ui-font-color0);
+  padding: 0 25px 0 8px;
+  border: var(--jp-border-width) solid var(--jp-input-border-color);
+  border-radius: 0;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-symbol-triangle-down::before{
-  content:""; }
+select.jp-mod-styled:not([multiple]) {
+  height: 32px;
+}
 
-.bp3-icon-symbol-triangle-up::before{
-  content:""; }
+select.jp-mod-styled[multiple] {
+  max-height: 200px;
+  overflow-y: auto;
+}
 
-.bp3-icon-tag::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-take-action::before{
-  content:""; }
+.jp-switch {
+  display: flex;
+  align-items: center;
+  padding-left: 4px;
+  padding-right: 4px;
+  font-size: var(--jp-ui-font-size1);
+  background-color: transparent;
+  color: var(--jp-ui-font-color1);
+  border: none;
+  height: 20px;
+}
 
-.bp3-icon-taxi::before{
-  content:""; }
+.jp-switch:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-text-highlight::before{
-  content:""; }
+.jp-switch-label {
+  margin-right: 5px;
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-th::before{
-  content:""; }
+.jp-switch-track {
+  cursor: pointer;
+  background-color: var(--jp-switch-color, var(--jp-border-color1));
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 34px;
+  height: 16px;
+  width: 35px;
+  position: relative;
+}
 
-.bp3-icon-th-derived::before{
-  content:""; }
+.jp-switch-track::before {
+  content: '';
+  position: absolute;
+  height: 10px;
+  width: 10px;
+  margin: 3px;
+  left: 0;
+  background-color: var(--jp-ui-inverse-font-color1);
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 50%;
+}
 
-.bp3-icon-th-disconnect::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track {
+  background-color: var(--jp-switch-true-position-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-th-filtered::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track::before {
+  /* track width (35) - margins (3 + 3) - thumb width (10) */
+  left: 19px;
+}
 
-.bp3-icon-th-list::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-thumbs-down::before{
-  content:""; }
+:root {
+  --jp-private-toolbar-height: calc(
+    28px + var(--jp-border-width)
+  ); /* leave 28px for content */
+}
 
-.bp3-icon-thumbs-up::before{
-  content:""; }
+.jp-Toolbar {
+  color: var(--jp-ui-font-color1);
+  flex: 0 0 auto;
+  display: flex;
+  flex-direction: row;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: 2px;
+  z-index: 8;
+  overflow-x: hidden;
+}
 
-.bp3-icon-tick::before{
-  content:"✓"; }
+/* Toolbar items */
 
-.bp3-icon-tick-circle::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
+  flex-grow: 1;
+  flex-shrink: 1;
+}
 
-.bp3-icon-time::before{
-  content:"⏲"; }
+.jp-Toolbar-item.jp-Toolbar-kernelStatus {
+  display: inline-block;
+  width: 32px;
+  background-repeat: no-repeat;
+  background-position: center;
+  background-size: 16px;
+}
 
-.bp3-icon-timeline-area-chart::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item {
+  flex: 0 0 auto;
+  display: flex;
+  padding-left: 1px;
+  padding-right: 1px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: var(--jp-private-toolbar-height);
+  height: 100%;
+}
 
-.bp3-icon-timeline-bar-chart::before{
-  content:""; }
+/* Toolbar buttons */
 
-.bp3-icon-timeline-events::before{
-  content:""; }
+/* This is the div we use to wrap the react component into a Widget */
+div.jp-ToolbarButton {
+  color: transparent;
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0;
+  margin: 0;
+}
 
-.bp3-icon-timeline-line-chart::before{
-  content:""; }
+button.jp-ToolbarButtonComponent {
+  background: var(--jp-layout-color1);
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0 6px;
+  margin: 0;
+  height: 24px;
+  border-radius: var(--jp-border-radius);
+  display: flex;
+  align-items: center;
+  text-align: center;
+  font-size: 14px;
+  min-width: unset;
+  min-height: unset;
+}
 
-.bp3-icon-tint::before{
-  content:""; }
+button.jp-ToolbarButtonComponent:disabled {
+  opacity: 0.4;
+}
 
-.bp3-icon-torch::before{
-  content:""; }
+button.jp-ToolbarButtonComponent > span {
+  padding: 0;
+  flex: 0 0 auto;
+}
 
-.bp3-icon-tractor::before{
-  content:""; }
+button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
+  font-size: var(--jp-ui-font-size1);
+  line-height: 100%;
+  padding-left: 2px;
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-train::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar.jp-Toolbar-micro {
+  padding: 0;
+  min-height: 0;
+}
 
-.bp3-icon-translate::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar {
+  border: none;
+  box-shadow: none;
+}
 
-.bp3-icon-trash::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-WindowedPanel-outer {
+  position: relative;
+  overflow-y: auto;
+}
+
+.jp-WindowedPanel-inner {
+  position: relative;
+}
+
+.jp-WindowedPanel-window {
+  position: absolute;
+  left: 0;
+  right: 0;
+  overflow: visible;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/* Sibling imports */
+
+body {
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+}
+
+/* Disable native link decoration styles everywhere outside of dialog boxes */
+a {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-tree::before{
-  content:""; }
+a:hover {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-trending-down::before{
-  content:""; }
+/* Accessibility for links inside dialog box text */
+.jp-Dialog-content a {
+  text-decoration: revert;
+  color: var(--jp-content-link-color);
+}
 
-.bp3-icon-trending-up::before{
-  content:""; }
+.jp-Dialog-content a:hover {
+  text-decoration: revert;
+}
 
-.bp3-icon-truck::before{
-  content:""; }
+/* Styles for ui-components */
+.jp-Button {
+  color: var(--jp-ui-font-color2);
+  border-radius: var(--jp-border-radius);
+  padding: 0 12px;
+  font-size: var(--jp-ui-font-size1);
 
-.bp3-icon-two-columns::before{
-  content:""; }
+  /* Copy from blueprint 3 */
+  display: inline-flex;
+  flex-direction: row;
+  border: none;
+  cursor: pointer;
+  align-items: center;
+  justify-content: center;
+  text-align: left;
+  vertical-align: middle;
+  min-height: 30px;
+  min-width: 30px;
+}
 
-.bp3-icon-unarchive::before{
-  content:""; }
+.jp-Button:disabled {
+  cursor: not-allowed;
+}
 
-.bp3-icon-underline::before{
-  content:"⎁"; }
+.jp-Button:empty {
+  padding: 0 !important;
+}
 
-.bp3-icon-undo::before{
-  content:"⎌"; }
+.jp-Button.jp-mod-small {
+  min-height: 24px;
+  min-width: 24px;
+  font-size: 12px;
+  padding: 0 7px;
+}
 
-.bp3-icon-ungroup-objects::before{
-  content:""; }
+/* Use our own theme for hover styles */
+.jp-Button.jp-mod-minimal:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-unknown-vehicle::before{
-  content:""; }
+.jp-Button.jp-mod-minimal {
+  background: none;
+}
 
-.bp3-icon-unlock::before{
-  content:""; }
+.jp-InputGroup {
+  display: block;
+  position: relative;
+}
 
-.bp3-icon-unpin::before{
-  content:""; }
+.jp-InputGroup input {
+  box-sizing: border-box;
+  border: none;
+  border-radius: 0;
+  background-color: transparent;
+  color: var(--jp-ui-font-color0);
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
+  padding-bottom: 0;
+  padding-top: 0;
+  padding-left: 10px;
+  padding-right: 28px;
+  position: relative;
+  width: 100%;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  appearance: none;
+  font-size: 14px;
+  font-weight: 400;
+  height: 30px;
+  line-height: 30px;
+  outline: none;
+  vertical-align: middle;
+}
 
-.bp3-icon-unresolve::before{
-  content:""; }
+.jp-InputGroup input:focus {
+  box-shadow: inset 0 0 0 var(--jp-border-width)
+      var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
+}
 
-.bp3-icon-updated::before{
-  content:""; }
+.jp-InputGroup input:disabled {
+  cursor: not-allowed;
+  resize: block;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-upload::before{
-  content:""; }
+.jp-InputGroup input:disabled ~ span {
+  cursor: not-allowed;
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-user::before{
-  content:""; }
+.jp-InputGroup input::placeholder,
+input::placeholder {
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-variable::before{
-  content:""; }
+.jp-InputGroupAction {
+  position: absolute;
+  bottom: 1px;
+  right: 0;
+  padding: 6px;
+}
 
-.bp3-icon-vertical-bar-chart-asc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select {
+  background-color: initial;
+  border: none;
+  border-radius: 0;
+  box-shadow: none;
+  color: var(--jp-ui-font-color0);
+  display: block;
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  height: 24px;
+  line-height: 14px;
+  padding: 0 25px 0 10px;
+  text-align: left;
+  -moz-appearance: none;
+  -webkit-appearance: none;
+}
 
-.bp3-icon-vertical-bar-chart-desc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+  cursor: not-allowed;
+  resize: block;
+}
 
-.bp3-icon-vertical-distribution::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled ~ span {
+  cursor: not-allowed;
+}
 
-.bp3-icon-video::before{
-  content:""; }
+/* Use our own theme for hover and option styles */
+/* stylelint-disable-next-line selector-max-type */
+.jp-HTMLSelect.jp-DefaultStyle select:hover,
+.jp-HTMLSelect.jp-DefaultStyle select > option {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-volume-down::before{
-  content:""; }
+select {
+  box-sizing: border-box;
+}
 
-.bp3-icon-volume-off::before{
-  content:""; }
-
-.bp3-icon-volume-up::before{
-  content:""; }
-
-.bp3-icon-walk::before{
-  content:""; }
-
-.bp3-icon-warning-sign::before{
-  content:""; }
-
-.bp3-icon-waterfall-chart::before{
-  content:""; }
-
-.bp3-icon-widget::before{
-  content:""; }
-
-.bp3-icon-widget-button::before{
-  content:""; }
-
-.bp3-icon-widget-footer::before{
-  content:""; }
-
-.bp3-icon-widget-header::before{
-  content:""; }
-
-.bp3-icon-wrench::before{
-  content:""; }
-
-.bp3-icon-zoom-in::before{
-  content:""; }
-
-.bp3-icon-zoom-out::before{
-  content:""; }
-
-.bp3-icon-zoom-to-fit::before{
-  content:""; }
-.bp3-submenu > .bp3-popover-wrapper{
-  display:block; }
-
-.bp3-submenu .bp3-popover-target{
-  display:block; }
-  .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{ }
-
-.bp3-submenu.bp3-popover{
-  -webkit-box-shadow:none;
-          box-shadow:none;
-  padding:0 5px; }
-  .bp3-submenu.bp3-popover > .bp3-popover-content{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-submenu.bp3-popover, .bp3-submenu.bp3-popover.bp3-dark{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-dark .bp3-submenu.bp3-popover > .bp3-popover-content, .bp3-submenu.bp3-popover.bp3-dark > .bp3-popover-content{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4); }
-.bp3-menu{
-  background:#ffffff;
-  border-radius:3px;
-  color:#182026;
-  list-style:none;
-  margin:0;
-  min-width:180px;
-  padding:5px;
-  text-align:left; }
-
-.bp3-menu-divider{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px; }
-  .bp3-dark .bp3-menu-divider{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-
-.bp3-menu-item{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:start;
-      -ms-flex-align:start;
-          align-items:flex-start;
-  border-radius:2px;
-  color:inherit;
-  line-height:20px;
-  padding:5px 7px;
-  text-decoration:none;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-menu-item > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-menu-item > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > *{
-    margin-right:7px; }
-  .bp3-menu-item:empty::before,
-  .bp3-menu-item > :last-child{
-    margin-right:0; }
-  .bp3-menu-item > .bp3-fill{
-    word-break:break-word; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    background-color:rgba(167, 182, 194, 0.3);
-    cursor:pointer;
-    text-decoration:none; }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-dark .bp3-menu-item{
-    color:inherit; }
-    .bp3-dark .bp3-menu-item:hover, .bp3-dark .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item, .bp3-submenu .bp3-dark .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-      background-color:rgba(138, 155, 168, 0.15);
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-disabled{
-      background-color:inherit;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-menu-item.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-primary::before, .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary.bp3-active{
-      background-color:#137cbd; }
-    .bp3-menu-item.bp3-intent-primary:active{
-      background-color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::before, .bp3-menu-item.bp3-intent-primary:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-primary:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary:active, .bp3-menu-item.bp3-intent-primary:active::before, .bp3-menu-item.bp3-intent-primary:active::after,
-    .bp3-menu-item.bp3-intent-primary:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary.bp3-active, .bp3-menu-item.bp3-intent-primary.bp3-active::before, .bp3-menu-item.bp3-intent-primary.bp3-active::after,
-    .bp3-menu-item.bp3-intent-primary.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-success::before, .bp3-menu-item.bp3-intent-success::after,
-    .bp3-menu-item.bp3-intent-success .bp3-menu-item-label{
-      color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success.bp3-active{
-      background-color:#0f9960; }
-    .bp3-menu-item.bp3-intent-success:active{
-      background-color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::before, .bp3-menu-item.bp3-intent-success:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-success:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success:active, .bp3-menu-item.bp3-intent-success:active::before, .bp3-menu-item.bp3-intent-success:active::after,
-    .bp3-menu-item.bp3-intent-success:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success.bp3-active, .bp3-menu-item.bp3-intent-success.bp3-active::before, .bp3-menu-item.bp3-intent-success.bp3-active::after,
-    .bp3-menu-item.bp3-intent-success.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-warning::before, .bp3-menu-item.bp3-intent-warning::after,
-    .bp3-menu-item.bp3-intent-warning .bp3-menu-item-label{
-      color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning.bp3-active{
-      background-color:#d9822b; }
-    .bp3-menu-item.bp3-intent-warning:active{
-      background-color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::before, .bp3-menu-item.bp3-intent-warning:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-warning:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning:active, .bp3-menu-item.bp3-intent-warning:active::before, .bp3-menu-item.bp3-intent-warning:active::after,
-    .bp3-menu-item.bp3-intent-warning:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning.bp3-active, .bp3-menu-item.bp3-intent-warning.bp3-active::before, .bp3-menu-item.bp3-intent-warning.bp3-active::after,
-    .bp3-menu-item.bp3-intent-warning.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-danger{
-    color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-danger::before, .bp3-menu-item.bp3-intent-danger::after,
-    .bp3-menu-item.bp3-intent-danger .bp3-menu-item-label{
-      color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger.bp3-active{
-      background-color:#db3737; }
-    .bp3-menu-item.bp3-intent-danger:active{
-      background-color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::before, .bp3-menu-item.bp3-intent-danger:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-danger:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-danger:active, .bp3-menu-item.bp3-intent-danger:active::before, .bp3-menu-item.bp3-intent-danger:active::after,
-    .bp3-menu-item.bp3-intent-danger:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-danger.bp3-active, .bp3-menu-item.bp3-intent-danger.bp3-active::before, .bp3-menu-item.bp3-intent-danger.bp3-active::after,
-    .bp3-menu-item.bp3-intent-danger.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    margin-right:7px; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > .bp3-icon{
-    color:#5c7080;
-    margin-top:2px; }
-  .bp3-menu-item .bp3-menu-item-label{
-    color:#5c7080; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    color:inherit; }
-  .bp3-menu-item.bp3-active, .bp3-menu-item:active{
-    background-color:rgba(115, 134, 148, 0.3); }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit !important;
-    color:rgba(92, 112, 128, 0.6) !important;
-    cursor:not-allowed !important;
-    outline:none !important; }
-    .bp3-menu-item.bp3-disabled::before,
-    .bp3-menu-item.bp3-disabled > .bp3-icon,
-    .bp3-menu-item.bp3-disabled .bp3-menu-item-label{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-large .bp3-menu-item{
-    font-size:16px;
-    line-height:22px;
-    padding:9px 7px; }
-    .bp3-large .bp3-menu-item .bp3-icon{
-      margin-top:3px; }
-    .bp3-large .bp3-menu-item::before{
-      font-family:"Icons20", sans-serif;
-      font-size:20px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased;
-      margin-right:10px;
-      margin-top:1px; }
-
-button.bp3-menu-item{
-  background:none;
-  border:none;
-  text-align:left;
-  width:100%; }
-.bp3-menu-header{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px;
-  cursor:default;
-  padding-left:2px; }
-  .bp3-dark .bp3-menu-header{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-  .bp3-menu-header:first-of-type{
-    border-top:none; }
-  .bp3-menu-header > h6{
-    color:#182026;
-    font-weight:600;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    line-height:17px;
-    margin:0;
-    padding:10px 7px 0 1px; }
-    .bp3-dark .bp3-menu-header > h6{
-      color:#f5f8fa; }
-  .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-  .bp3-large .bp3-menu-header > h6{
-    font-size:18px;
-    padding-bottom:5px;
-    padding-top:15px; }
-  .bp3-large .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-
-.bp3-dark .bp3-menu{
-  background:#30404d;
-  color:#f5f8fa; }
-
-.bp3-dark .bp3-menu-item{ }
-  .bp3-dark .bp3-menu-item.bp3-intent-primary{
-    color:#48aff0; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary::before, .bp3-dark .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#48aff0; }
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-      background-color:#137cbd; }
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-      background-color:#106ba3; }
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-    color:#3dcc91; }
-    .bp3-dark .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
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-      color:#3dcc91; }
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-      background-color:#0f9960; }
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-.bp3-progress-bar{
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-.bp3-progress-bar.bp3-intent-primary .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-success .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-warning .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-danger .bp3-progress-meter{
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-  to{
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-.bp3-slider-track{
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-.bp3-slider-progress{
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-  .bp3-slider-progress.bp3-intent-primary{
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-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  .bp3-omnibar.bp3-overlay-exit-active{
-    -webkit-filter:blur(20px);
-            filter:blur(20px);
-    opacity:0.2;
-    -webkit-transition-delay:0;
-            transition-delay:0;
-    -webkit-transition-duration:200ms;
-            transition-duration:200ms;
-    -webkit-transition-property:opacity, -webkit-filter;
-    transition-property:opacity, -webkit-filter;
-    transition-property:filter, opacity;
-    transition-property:filter, opacity, -webkit-filter;
-    -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-            transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-omnibar .bp3-input{
-    background-color:transparent;
-    border-radius:0; }
-    .bp3-omnibar .bp3-input, .bp3-omnibar .bp3-input:focus{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-omnibar .bp3-menu{
-    background-color:transparent;
-    border-radius:0;
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-    max-height:calc(60vh - 40px);
-    overflow:auto; }
-    .bp3-omnibar .bp3-menu:empty{
-      display:none; }
-  .bp3-dark .bp3-omnibar, .bp3-omnibar.bp3-dark{
-    background-color:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4); }
-
-.bp3-omnibar-overlay .bp3-overlay-backdrop{
-  background-color:rgba(16, 22, 26, 0.2); }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
-
-.bp3-multi-select{
-  min-width:150px; }
-
-.bp3-multi-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto; }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
-
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
 
-/* Icons urls */
+.jp-StatusBar-Widget {
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color2);
+  min-height: var(--jp-statusbar-height);
+  justify-content: space-between;
+  padding: 0 10px;
+}
 
-:root {
-  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-bug: url(data:image/svg+xml;base64,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);
-  --jp-icon-build: url(data:image/svg+xml;base64,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);
-  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KICA8ZyBjbGFzcz0ianAtaWNvbjIiIGZpbGw9IiM0MTQxNDEiPgogICAgPHJlY3QgeD0iMiIgeT0iMiIgd2lkdGg9IjE2IiBoZWlnaHQ9IjE2Ii8+CiAgPC9nPgogIDxnIGNsYXNzPSJqcC1pY29uLWFjY2VudDIiIGZpbGw9IiNGRkYiPgogICAgPHBhdGggZD0iTTcuNiw4aDAuOWwzLjUsOGgtMS4xTDEwLDE0SDZsLTAuOSwySDRMNy42LDh6IE04LDkuMUw2LjQsMTNoMy4yTDgsOS4xeiIvPgogICAgPHBhdGggZD0iTTE2LjYsOS44Yy0wLjIsMC4xLTAuNCwwLjEtMC43LDAuMWMtMC4yLDAtMC40LTAuMS0wLjYtMC4yYy0wLjEtMC4xLTAuMi0wLjQtMC4yLTAuNyBjLTAuMywwLjMtMC42LDAuNS0wLjksMC43Yy0wLjMsMC4xLTAuNywwLjItMS4xLDAuMmMtMC4zLDAtMC41LDAtMC43LTAuMWMtMC4yLTAuMS0wLjQtMC4yLTAuNi0wLjNjLTAuMi0wLjEtMC4zLTAuMy0wLjQtMC41IGMtMC4xLTAuMi0wLjEtMC40LTAuMS0wLjdjMC0wLjMsMC4xLTAuNiwwLjItMC44YzAuMS0wLjIsMC4zLTAuNCwwLjQtMC41QzEyLDcsMTIuMiw2LjksMTIuNSw2LjhjMC4yLTAuMSwwLjUtMC4xLDAuNy0wLjIgYzAuMy0wLjEsMC41LTAuMSwwLjctMC4xYzAuMiwwLDAuNC0wLjEsMC42LTAuMWMwLjIsMCwwLjMtMC4xLDAuNC0wLjJjMC4xLTAuMSwwLjItMC4yLDAuMi0wLjRjMC0xLTEuMS0xLTEuMy0xIGMtMC40LDAtMS40LDAtMS40LDEuMmgtMC45YzAtMC40LDAuMS0wLjcsMC4yLTFjMC4xLTAuMiwwLjMtMC40LDAuNS0wLjZjMC4yLTAuMiwwLjUtMC4zLDAuOC0wLjNDMTMuMyw0LDEzLjYsNCwxMy45LDQgYzAuMywwLDAuNSwwLDAuOCwwLjFjMC4zLDAsMC41LDAuMSwwLjcsMC4yYzAuMiwwLjEsMC40LDAuMywwLjUsMC41QzE2LDUsMTYsNS4yLDE2LDUuNnYyLjljMCwwLjIsMCwwLjQsMCwwLjUgYzAsMC4xLDAuMSwwLjIsMC4zLDAuMmMwLjEsMCwwLjIsMCwwLjMsMFY5Ljh6IE0xNS4yLDYuOWMtMS4yLDAuNi0zLjEsMC4yLTMuMSwxLjRjMCwxLjQsMy4xLDEsMy4xLTAuNVY2Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTYuMTdMNC44MyAxMmwtMS40MiAxLjQxTDkgMTkgMjEgN2wtMS40MS0xLjQxeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-regex: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KICA8ZyBjbGFzcz0ianAtaWNvbjIiIGZpbGw9IiM0MTQxNDEiPgogICAgPHJlY3QgeD0iMiIgeT0iMiIgd2lkdGg9IjE2IiBoZWlnaHQ9IjE2Ii8+CiAgPC9nPgoKICA8ZyBjbGFzcz0ianAtaWNvbi1hY2NlbnQyIiBmaWxsPSIjRkZGIj4KICAgIDxjaXJjbGUgY2xhc3M9InN0MiIgY3g9IjUuNSIgY3k9IjE0LjUiIHI9IjEuNSIvPgogICAgPHJlY3QgeD0iMTIiIHk9IjQiIGNsYXNzPSJzdDIiIHdpZHRoPSIxIiBoZWlnaHQ9IjgiLz4KICAgIDxyZWN0IHg9IjguNSIgeT0iNy41IiB0cmFuc2Zvcm09Im1hdHJpeCgwLjg2NiAtMC41IDAuNSAwLjg2NiAtMi4zMjU1IDcuMzIxOSkiIGNsYXNzPSJzdDIiIHdpZHRoPSI4IiBoZWlnaHQ9IjEiLz4KICAgIDxyZWN0IHg9IjEyIiB5PSI0IiB0cmFuc2Zvcm09Im1hdHJpeCgwLjUgLTAuODY2IDAuODY2IDAuNSAtMC42Nzc5IDE0LjgyNTIpIiBjbGFzcz0ic3QyIiB3aWR0aD0iMSIgaGVpZ2h0PSI4Ii8+CiAgPC9nPgo8L3N2Zz4K);
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-  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-search: url(data:image/svg+xml;base64,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);
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-  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-tag: url(data:image/svg+xml;base64,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);
-  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
-  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTUgMTVIM3YyaDEydi0yem0wLThIM3YyaDEyVjd6TTMgMTNoMTh2LTJIM3Yyem0wIDhoMTh2LTJIM3Yyek0zIDN2MmgxOFYzSDN6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-toc: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHhtbG5zOnhsaW5rPSJodHRwOi8vd3d3LnczLm9yZy8xOTk5L3hsaW5rIiB2ZXJzaW9uPSIxLjEiIHdpZHRoPSIyNCIgaGVpZ2h0PSIyNCIgdmlld0JveD0iMCAwIDI0IDI0IiBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgoJPHBhdGggZD0iTTcsNUgyMVY3SDdWNU03LDEzVjExSDIxVjEzSDdNNCw0LjVBMS41LDEuNSAwIDAsMSA1LjUsNkExLjUsMS41IDAgMCwxIDQsNy41QTEuNSwxLjUgMCAwLDEgMi41LDZBMS41LDEuNSAwIDAsMSA0LDQuNU00LDEwLjVBMS41LDEuNSAwIDAsMSA1LjUsMTJBMS41LDEuNSAwIDAsMSA0LDEzLjVBMS41LDEuNSAwIDAsMSAyLjUsMTJBMS41LDEuNSAwIDAsMSA0LDEwLjVNNywxOVYxN0gyMVYxOUg3TTQsMTYuNUExLjUsMS41IDAgMCwxIDUuNSwxOEExLjUsMS41IDAgMCwxIDQsMTkuNUExLjUsMS41IDAgMCwxIDIuNSwxOEExLjUsMS41IDAgMCwxIDQsMTYuNVoiIC8+Cjwvc3ZnPgo=);
-  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
-  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+.jp-StatusBar-Left {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
 
-/* Icon CSS class declarations */
+.jp-StatusBar-Middle {
+  display: flex;
+  align-items: center;
+}
 
-.jp-AddIcon {
-  background-image: var(--jp-icon-add);
+.jp-StatusBar-Right {
+  display: flex;
+  align-items: center;
+  flex-direction: row-reverse;
 }
-.jp-BugIcon {
-  background-image: var(--jp-icon-bug);
+
+.jp-StatusBar-Item {
+  max-height: var(--jp-statusbar-height);
+  margin: 0 2px;
+  height: var(--jp-statusbar-height);
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  color: var(--jp-ui-font-color1);
+  padding: 0 6px;
 }
-.jp-BuildIcon {
-  background-image: var(--jp-icon-build);
+
+.jp-mod-highlighted:hover {
+  background-color: var(--jp-layout-color3);
 }
-.jp-CaretDownEmptyIcon {
-  background-image: var(--jp-icon-caret-down-empty);
+
+.jp-mod-clicked {
+  background-color: var(--jp-brand-color1);
 }
-.jp-CaretDownEmptyThinIcon {
-  background-image: var(--jp-icon-caret-down-empty-thin);
+
+.jp-mod-clicked:hover {
+  background-color: var(--jp-brand-color0);
 }
-.jp-CaretDownIcon {
-  background-image: var(--jp-icon-caret-down);
+
+.jp-mod-clicked .jp-StatusBar-TextItem {
+  color: var(--jp-ui-inverse-font-color1);
 }
-.jp-CaretLeftIcon {
-  background-image: var(--jp-icon-caret-left);
+
+.jp-StatusBar-HoverItem {
+  box-shadow: '0px 4px 4px rgba(0, 0, 0, 0.25)';
 }
-.jp-CaretRightIcon {
-  background-image: var(--jp-icon-caret-right);
+
+.jp-StatusBar-TextItem {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  line-height: 24px;
+  color: var(--jp-ui-font-color1);
 }
-.jp-CaretUpEmptyThinIcon {
-  background-image: var(--jp-icon-caret-up-empty-thin);
+
+.jp-StatusBar-GroupItem {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
-.jp-CaretUpIcon {
-  background-image: var(--jp-icon-caret-up);
+
+.jp-Statusbar-ProgressCircle svg {
+  display: block;
+  margin: 0 auto;
+  width: 16px;
+  height: 24px;
+  align-self: normal;
 }
-.jp-CaseSensitiveIcon {
-  background-image: var(--jp-icon-case-sensitive);
+
+.jp-Statusbar-ProgressCircle path {
+  fill: var(--jp-inverse-layout-color3);
 }
-.jp-CheckIcon {
-  background-image: var(--jp-icon-check);
-}
-.jp-CircleEmptyIcon {
-  background-image: var(--jp-icon-circle-empty);
-}
-.jp-CircleIcon {
-  background-image: var(--jp-icon-circle);
+
+.jp-Statusbar-ProgressBar-progress-bar {
+  height: 10px;
+  width: 100px;
+  border: solid 0.25px var(--jp-brand-color2);
+  border-radius: 3px;
+  overflow: hidden;
+  align-self: center;
 }
-.jp-ClearIcon {
-  background-image: var(--jp-icon-clear);
+
+.jp-Statusbar-ProgressBar-progress-bar > div {
+  background-color: var(--jp-brand-color2);
+  background-image: linear-gradient(
+    -45deg,
+    rgba(255, 255, 255, 0.2) 25%,
+    transparent 25%,
+    transparent 50%,
+    rgba(255, 255, 255, 0.2) 50%,
+    rgba(255, 255, 255, 0.2) 75%,
+    transparent 75%,
+    transparent
+  );
+  background-size: 40px 40px;
+  float: left;
+  width: 0%;
+  height: 100%;
+  font-size: 12px;
+  line-height: 14px;
+  color: #fff;
+  text-align: center;
+  animation: jp-Statusbar-ExecutionTime-progress-bar 2s linear infinite;
 }
-.jp-CloseIcon {
-  background-image: var(--jp-icon-close);
+
+.jp-Statusbar-ProgressBar-progress-bar p {
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+  font-size: var(--jp-ui-font-size1);
+  line-height: 10px;
+  width: 100px;
 }
-.jp-CodeIcon {
-  background-image: var(--jp-icon-code);
+
+@keyframes jp-Statusbar-ExecutionTime-progress-bar {
+  0% {
+    background-position: 0 0;
+  }
+
+  100% {
+    background-position: 40px 40px;
+  }
 }
-.jp-ConsoleIcon {
-  background-image: var(--jp-icon-console);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-commandpalette-search-height: 28px;
 }
-.jp-CopyIcon {
-  background-image: var(--jp-icon-copy);
+
+/*-----------------------------------------------------------------------------
+| Overall styles
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette {
+  padding-bottom: 0;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-CutIcon {
-  background-image: var(--jp-icon-cut);
+
+/*-----------------------------------------------------------------------------
+| Modal variant
+|----------------------------------------------------------------------------*/
+
+.jp-ModalCommandPalette {
+  position: absolute;
+  z-index: 10000;
+  top: 38px;
+  left: 30%;
+  margin: 0;
+  padding: 4px;
+  width: 40%;
+  box-shadow: var(--jp-elevation-z4);
+  border-radius: 4px;
+  background: var(--jp-layout-color0);
 }
-.jp-DownloadIcon {
-  background-image: var(--jp-icon-download);
+
+.jp-ModalCommandPalette .lm-CommandPalette {
+  max-height: 40vh;
 }
-.jp-EditIcon {
-  background-image: var(--jp-icon-edit);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-close-icon::after {
+  display: none;
 }
-.jp-EllipsesIcon {
-  background-image: var(--jp-icon-ellipses);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
+  display: none;
 }
-.jp-ExtensionIcon {
-  background-image: var(--jp-icon-extension);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
+  margin-left: 4px;
+  margin-right: 4px;
 }
-.jp-FastForwardIcon {
-  background-image: var(--jp-icon-fast-forward);
+
+.jp-ModalCommandPalette
+  .lm-CommandPalette
+  .lm-CommandPalette-item.lm-mod-disabled {
+  display: none;
 }
-.jp-FileIcon {
-  background-image: var(--jp-icon-file);
+
+/*-----------------------------------------------------------------------------
+| Search
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-search {
+  padding: 4px;
+  background-color: var(--jp-layout-color1);
+  z-index: 2;
 }
-.jp-FileUploadIcon {
-  background-image: var(--jp-icon-file-upload);
+
+.lm-CommandPalette-wrapper {
+  overflow: overlay;
+  padding: 0 9px;
+  background-color: var(--jp-input-active-background);
+  height: 30px;
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
 }
-.jp-FilterListIcon {
-  background-image: var(--jp-icon-filter-list);
+
+.lm-CommandPalette.lm-mod-focused .lm-CommandPalette-wrapper {
+  box-shadow: inset 0 0 0 1px var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
 }
-.jp-FolderIcon {
-  background-image: var(--jp-icon-folder);
+
+.jp-SearchIconGroup {
+  color: white;
+  background-color: var(--jp-brand-color1);
+  position: absolute;
+  top: 4px;
+  right: 4px;
+  padding: 5px 5px 1px;
 }
-.jp-Html5Icon {
-  background-image: var(--jp-icon-html5);
+
+.jp-SearchIconGroup svg {
+  height: 20px;
+  width: 20px;
 }
-.jp-ImageIcon {
-  background-image: var(--jp-icon-image);
+
+.jp-SearchIconGroup .jp-icon3[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-InspectorIcon {
-  background-image: var(--jp-icon-inspector);
+
+.lm-CommandPalette-input {
+  background: transparent;
+  width: calc(100% - 18px);
+  float: left;
+  border: none;
+  outline: none;
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  line-height: var(--jp-private-commandpalette-search-height);
 }
-.jp-JsonIcon {
-  background-image: var(--jp-icon-json);
+
+.lm-CommandPalette-input::-webkit-input-placeholder,
+.lm-CommandPalette-input::-moz-placeholder,
+.lm-CommandPalette-input:-ms-input-placeholder {
+  color: var(--jp-ui-font-color2);
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-JupyterFaviconIcon {
-  background-image: var(--jp-icon-jupyter-favicon);
+
+/*-----------------------------------------------------------------------------
+| Results
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-header:first-child {
+  margin-top: 0;
 }
-.jp-JupyterIcon {
-  background-image: var(--jp-icon-jupyter);
+
+.lm-CommandPalette-header {
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin-top: 8px;
+  padding: 8px 0 8px 12px;
+  text-transform: uppercase;
 }
-.jp-JupyterlabWordmarkIcon {
-  background-image: var(--jp-icon-jupyterlab-wordmark);
+
+.lm-CommandPalette-header.lm-mod-active {
+  background: var(--jp-layout-color2);
 }
-.jp-KernelIcon {
-  background-image: var(--jp-icon-kernel);
+
+.lm-CommandPalette-header > mark {
+  background-color: transparent;
+  font-weight: bold;
+  color: var(--jp-ui-font-color1);
 }
-.jp-KeyboardIcon {
-  background-image: var(--jp-icon-keyboard);
+
+.lm-CommandPalette-item {
+  padding: 4px 12px 4px 4px;
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  font-weight: 400;
+  display: flex;
 }
-.jp-LauncherIcon {
-  background-image: var(--jp-icon-launcher);
+
+.lm-CommandPalette-item.lm-mod-disabled {
+  color: var(--jp-ui-font-color2);
 }
-.jp-LineFormIcon {
-  background-image: var(--jp-icon-line-form);
+
+.lm-CommandPalette-item.lm-mod-active {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-LinkIcon {
-  background-image: var(--jp-icon-link);
+
+.lm-CommandPalette-item.lm-mod-active .lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-inverse-font-color0);
 }
-.jp-ListIcon {
-  background-image: var(--jp-icon-list);
+
+.lm-CommandPalette-item.lm-mod-active .jp-icon-selectable[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-ListingsInfoIcon {
-  background-image: var(--jp-icon-listings-info);
+
+.lm-CommandPalette-item.lm-mod-active:hover:not(.lm-mod-disabled) {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-MarkdownIcon {
-  background-image: var(--jp-icon-markdown);
+
+.lm-CommandPalette-item:hover:not(.lm-mod-active):not(.lm-mod-disabled) {
+  background: var(--jp-layout-color2);
 }
-.jp-NewFolderIcon {
-  background-image: var(--jp-icon-new-folder);
+
+.lm-CommandPalette-itemContent {
+  overflow: hidden;
 }
-.jp-NotTrustedIcon {
-  background-image: var(--jp-icon-not-trusted);
+
+.lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-font-color0);
+  background-color: transparent;
+  font-weight: bold;
 }
-.jp-NotebookIcon {
-  background-image: var(--jp-icon-notebook);
+
+.lm-CommandPalette-item.lm-mod-disabled mark {
+  color: var(--jp-ui-font-color2);
 }
-.jp-NumberingIcon {
-  background-image: var(--jp-icon-numbering);
-}
-.jp-OfflineBoltIcon {
-  background-image: var(--jp-icon-offline-bolt);
-}
-.jp-PaletteIcon {
-  background-image: var(--jp-icon-palette);
-}
-.jp-PasteIcon {
-  background-image: var(--jp-icon-paste);
-}
-.jp-PdfIcon {
-  background-image: var(--jp-icon-pdf);
-}
-.jp-PythonIcon {
-  background-image: var(--jp-icon-python);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemIcon {
+  margin: 0 4px 0 0;
+  position: relative;
+  width: 16px;
+  top: 2px;
+  flex: 0 0 auto;
 }
-.jp-RKernelIcon {
-  background-image: var(--jp-icon-r-kernel);
+
+.lm-CommandPalette-item.lm-mod-disabled .lm-CommandPalette-itemIcon {
+  opacity: 0.6;
 }
-.jp-ReactIcon {
-  background-image: var(--jp-icon-react);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemShortcut {
+  flex: 0 0 auto;
 }
-.jp-RedoIcon {
-  background-image: var(--jp-icon-redo);
+
+.lm-CommandPalette-itemCaption {
+  display: none;
 }
-.jp-RefreshIcon {
-  background-image: var(--jp-icon-refresh);
+
+.lm-CommandPalette-content {
+  background-color: var(--jp-layout-color1);
 }
-.jp-RegexIcon {
-  background-image: var(--jp-icon-regex);
+
+.lm-CommandPalette-content:empty::after {
+  content: 'No results';
+  margin: auto;
+  margin-top: 20px;
+  width: 100px;
+  display: block;
+  font-size: var(--jp-ui-font-size2);
+  font-family: var(--jp-ui-font-family);
+  font-weight: lighter;
 }
-.jp-RunIcon {
-  background-image: var(--jp-icon-run);
+
+.lm-CommandPalette-emptyMessage {
+  text-align: center;
+  margin-top: 24px;
+  line-height: 1.32;
+  padding: 0 8px;
+  color: var(--jp-content-font-color3);
 }
-.jp-RunningIcon {
-  background-image: var(--jp-icon-running);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.jp-Dialog {
+  position: absolute;
+  z-index: 10000;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  top: 0;
+  left: 0;
+  margin: 0;
+  padding: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-dialog-background);
 }
-.jp-SaveIcon {
-  background-image: var(--jp-icon-save);
+
+.jp-Dialog-content {
+  display: flex;
+  flex-direction: column;
+  margin-left: auto;
+  margin-right: auto;
+  background: var(--jp-layout-color1);
+  padding: 24px 24px 12px;
+  min-width: 300px;
+  min-height: 150px;
+  max-width: 1000px;
+  max-height: 500px;
+  box-sizing: border-box;
+  box-shadow: var(--jp-elevation-z20);
+  word-wrap: break-word;
+  border-radius: var(--jp-border-radius);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color1);
+  resize: both;
 }
-.jp-SearchIcon {
-  background-image: var(--jp-icon-search);
+
+.jp-Dialog-content.jp-Dialog-content-small {
+  max-width: 500px;
 }
-.jp-SettingsIcon {
-  background-image: var(--jp-icon-settings);
+
+.jp-Dialog-button {
+  overflow: visible;
 }
-.jp-SpreadsheetIcon {
-  background-image: var(--jp-icon-spreadsheet);
+
+button.jp-Dialog-button:focus {
+  outline: 1px solid var(--jp-brand-color1);
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-StopIcon {
-  background-image: var(--jp-icon-stop);
+
+button.jp-Dialog-button:focus::-moz-focus-inner {
+  border: 0;
 }
-.jp-TabIcon {
-  background-image: var(--jp-icon-tab);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-TableRowsIcon {
-  background-image: var(--jp-icon-table-rows);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus {
+  outline: 1px solid var(--jp-accept-color-normal, var(--jp-brand-color1));
 }
-.jp-TagIcon {
-  background-image: var(--jp-icon-tag);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus {
+  outline: 1px solid var(--jp-warn-color-normal, var(--jp-error-color1));
 }
-.jp-TerminalIcon {
-  background-image: var(--jp-icon-terminal);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline: 1px solid var(--jp-reject-color-normal, var(--md-grey-600));
 }
-.jp-TextEditorIcon {
-  background-image: var(--jp-icon-text-editor);
+
+button.jp-Dialog-close-button {
+  padding: 0;
+  height: 100%;
+  min-width: unset;
+  min-height: unset;
 }
-.jp-TocIcon {
-  background-image: var(--jp-icon-toc);
+
+.jp-Dialog-header {
+  display: flex;
+  justify-content: space-between;
+  flex: 0 0 auto;
+  padding-bottom: 12px;
+  font-size: var(--jp-ui-font-size3);
+  font-weight: 400;
+  color: var(--jp-ui-font-color1);
 }
-.jp-TreeViewIcon {
-  background-image: var(--jp-icon-tree-view);
+
+.jp-Dialog-body {
+  display: flex;
+  flex-direction: column;
+  flex: 1 1 auto;
+  font-size: var(--jp-ui-font-size1);
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
 }
-.jp-TrustedIcon {
-  background-image: var(--jp-icon-trusted);
+
+.jp-Dialog-footer {
+  display: flex;
+  flex-direction: row;
+  justify-content: flex-end;
+  align-items: center;
+  flex: 0 0 auto;
+  margin-left: -12px;
+  margin-right: -12px;
+  padding: 12px;
 }
-.jp-UndoIcon {
-  background-image: var(--jp-icon-undo);
+
+.jp-Dialog-checkbox {
+  padding-right: 5px;
 }
-.jp-VegaIcon {
-  background-image: var(--jp-icon-vega);
+
+.jp-Dialog-checkbox > input:focus-visible {
+  outline: 1px solid var(--jp-input-active-border-color);
+  outline-offset: 1px;
 }
-.jp-YamlIcon {
-  background-image: var(--jp-icon-yaml);
+
+.jp-Dialog-spacer {
+  flex: 1 1 auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+.jp-Dialog-title {
+  overflow: hidden;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+}
 
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+.jp-Dialog-body > .jp-select-wrapper {
+  width: 100%;
+}
 
-:root {
-  --jp-icon-search-white: url(data:image/svg+xml;base64,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);
+.jp-Dialog-body > button {
+  padding: 0 16px;
 }
 
-.jp-Icon,
-.jp-MaterialIcon {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
+.jp-Dialog-body > label {
+  line-height: 1.4;
+  color: var(--jp-ui-font-color0);
 }
 
-.jp-Icon-cover {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: cover;
+.jp-Dialog-button.jp-mod-styled:not(:last-child) {
+  margin-right: 12px;
 }
 
-/**
- * (DEPRECATED) Support for specific CSS icon sizes
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
 
-.jp-Icon-16 {
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
-}
-
-.jp-Icon-18 {
-  background-size: 18px;
-  min-width: 18px;
-  min-height: 18px;
+.jp-Input-Boolean-Dialog {
+  flex-direction: row-reverse;
+  align-items: end;
+  width: 100%;
 }
 
-.jp-Icon-20 {
-  background-size: 20px;
-  min-width: 20px;
-  min-height: 20px;
+.jp-Input-Boolean-Dialog > label {
+  flex: 1 1 auto;
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/**
- * Support for icons as inline SVG HTMLElements
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-/* recolor the accent elements of an icon */
-.jp-icon-accent0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-accent1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-accent2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-accent3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-accent4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-accent0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-accent1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-accent2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-accent3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-accent4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-/* set the color of an icon to transparent */
-.jp-icon-none[fill] {
-  fill: none;
-}
-
-.jp-icon-none[stroke] {
-  stroke: none;
-}
-/* brand icon colors. Same for light and dark */
-.jp-icon-brand0[fill] {
-  fill: var(--jp-brand-color0);
-}
-.jp-icon-brand1[fill] {
-  fill: var(--jp-brand-color1);
-}
-.jp-icon-brand2[fill] {
-  fill: var(--jp-brand-color2);
-}
-.jp-icon-brand3[fill] {
-  fill: var(--jp-brand-color3);
-}
-.jp-icon-brand4[fill] {
-  fill: var(--jp-brand-color4);
-}
-
-.jp-icon-brand0[stroke] {
-  stroke: var(--jp-brand-color0);
-}
-.jp-icon-brand1[stroke] {
-  stroke: var(--jp-brand-color1);
-}
-.jp-icon-brand2[stroke] {
-  stroke: var(--jp-brand-color2);
-}
-.jp-icon-brand3[stroke] {
-  stroke: var(--jp-brand-color3);
-}
-.jp-icon-brand4[stroke] {
-  stroke: var(--jp-brand-color4);
-}
-/* warn icon colors. Same for light and dark */
-.jp-icon-warn0[fill] {
-  fill: var(--jp-warn-color0);
-}
-.jp-icon-warn1[fill] {
-  fill: var(--jp-warn-color1);
-}
-.jp-icon-warn2[fill] {
-  fill: var(--jp-warn-color2);
-}
-.jp-icon-warn3[fill] {
-  fill: var(--jp-warn-color3);
-}
-
-.jp-icon-warn0[stroke] {
-  stroke: var(--jp-warn-color0);
-}
-.jp-icon-warn1[stroke] {
-  stroke: var(--jp-warn-color1);
-}
-.jp-icon-warn2[stroke] {
-  stroke: var(--jp-warn-color2);
-}
-.jp-icon-warn3[stroke] {
-  stroke: var(--jp-warn-color3);
-}
-/* icon colors that contrast well with each other and most backgrounds */
-.jp-icon-contrast0[fill] {
-  fill: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[fill] {
-  fill: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[fill] {
-  fill: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[fill] {
-  fill: var(--jp-icon-contrast-color3);
-}
-
-.jp-icon-contrast0[stroke] {
-  stroke: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[stroke] {
-  stroke: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[stroke] {
-  stroke: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[stroke] {
-  stroke: var(--jp-icon-contrast-color3);
-}
-
-/* CSS for icons in selected items in the settings editor */
-#setting-editor .jp-PluginList .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-#setting-editor
-  .jp-PluginList
-  .jp-mod-selected
-  .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected filebrowser listing items */
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected tabs in the sidebar tab manager */
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable[fill] {
-  fill: #fff;
+.jp-MainAreaWidget > :focus {
+  outline: none;
 }
 
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable[fill] {
-  fill: var(--jp-brand-color1);
+.jp-MainAreaWidget .jp-MainAreaWidget-error {
+  padding: 6px;
 }
 
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable-inverse[fill] {
-  fill: #fff;
+.jp-MainAreaWidget .jp-MainAreaWidget-error > pre {
+  width: auto;
+  padding: 10px;
+  background: var(--jp-error-color3);
+  border: var(--jp-border-width) solid var(--jp-error-color1);
+  border-radius: var(--jp-border-radius);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  white-space: pre-wrap;
+  word-wrap: break-word;
 }
 
-/**
- * TODO: come up with non css-hack solution for showing the busy icon on top
- *  of the close icon
- * CSS for complex behavior of close icon of tabs in the sidebar tab manager
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty.jp-mod-active
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: #fff;
-}
-
-/**
-* TODO: come up with non css-hack solution for showing the busy icon on top
-*  of the close icon
-* CSS for complex behavior of close icon of tabs in the main area tabbar
-*/
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-/* CSS for icons in status bar */
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-/* special handling for splash icon CSS. While the theme CSS reloads during
-   splash, the splash icon can loose theming. To prevent that, we set a
-   default for its color variable */
-:root {
-  --jp-warn-color0: var(--md-orange-700);
-}
-
-/* not sure what to do with this one, used in filebrowser listing */
-.jp-DragIcon {
-  margin-right: 4px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
 
 /**
- * Support for alt colors for icons as inline SVG HTMLElements
+ * google-material-color v1.2.6
+ * https://github.com/danlevan/google-material-color
  */
-
-/* alt recolor the primary elements of an icon */
-.jp-icon-alt .jp-icon0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-alt .jp-icon0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* alt recolor the accent elements of an icon */
-.jp-icon-alt .jp-icon-accent0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-alt .jp-icon-accent4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-alt .jp-icon-accent0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[stroke] {
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-}
-.jp-icon-alt .jp-icon-accent4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-icon-hoverShow:not(:hover) svg {
-  display: none !important;
-}
-
-/**
- * Support for hover colors for icons as inline SVG HTMLElements
- */
-
-/**
- * regular colors
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon-hover :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
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-.jp-icon-hover :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/* recolor the accent elements of an icon */
-.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* set the color of an icon to transparent */
-.jp-icon-hover :hover .jp-icon-none-hover[fill] {
-  fill: none;
-}
-
-.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
-  stroke: none;
-}
-
-/**
- * inverse colors
- */
-
-/* inverse recolor the primary elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* inverse recolor the accent elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-switch {
-  display: flex;
-  align-items: center;
-  padding-left: 4px;
-  padding-right: 4px;
-  font-size: var(--jp-ui-font-size1);
-  background-color: transparent;
-  color: var(--jp-ui-font-color1);
-  border: none;
-  height: 20px;
-}
-
-.jp-switch:hover {
-  background-color: var(--jp-layout-color2);
-}
-
-.jp-switch-label {
-  margin-right: 5px;
-}
-
-.jp-switch-track {
-  cursor: pointer;
-  background-color: var(--jp-border-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 34px;
-  height: 16px;
-  width: 35px;
-  position: relative;
-}
-
-.jp-switch-track::before {
-  content: '';
-  position: absolute;
-  height: 10px;
-  width: 10px;
-  margin: 3px;
-  left: 0px;
-  background-color: var(--jp-ui-inverse-font-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 50%;
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track {
-  background-color: var(--jp-warn-color0);
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track::before {
-  /* track width (35) - margins (3 + 3) - thumb width (10) */
-  left: 19px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/* Sibling imports */
-
-/* Override Blueprint's _reset.scss styles */
-html {
-  box-sizing: unset;
-}
-
-*,
-*::before,
-*::after {
-  box-sizing: unset;
-}
-
-body {
-  color: unset;
-  font-family: var(--jp-ui-font-family);
-}
-
-p {
-  margin-top: unset;
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-}
-
-small {
-  font-size: unset;
-}
-
-strong {
-  font-weight: unset;
-}
-
-/* Override Blueprint's _typography.scss styles */
-a {
-  text-decoration: unset;
-  color: unset;
-}
-a:hover {
-  text-decoration: unset;
-  color: unset;
-}
-
-/* Override Blueprint's _accessibility.scss styles */
-:focus {
-  outline: unset;
-  outline-offset: unset;
-  -moz-outline-radius: unset;
-}
-
-/* Styles for ui-components */
-.jp-Button {
-  border-radius: var(--jp-border-radius);
-  padding: 0px 12px;
-  font-size: var(--jp-ui-font-size1);
-}
-
-/* Use our own theme for hover styles */
-button.jp-Button.bp3-button.bp3-minimal:hover {
-  background-color: var(--jp-layout-color2);
-}
-.jp-Button.minimal {
-  color: unset !important;
-}
-
-.jp-Button.jp-ToolbarButtonComponent {
-  text-transform: none;
-}
-
-.jp-InputGroup input {
-  box-sizing: border-box;
-  border-radius: 0;
-  background-color: transparent;
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-
-.jp-InputGroup input:focus {
-  box-shadow: inset 0 0 0 var(--jp-border-width)
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-}
-
-.jp-InputGroup input::placeholder,
-input::placeholder {
-  color: var(--jp-ui-font-color3);
-}
-
-.jp-BPIcon {
-  display: inline-block;
-  vertical-align: middle;
-  margin: auto;
-}
-
-/* Stop blueprint futzing with our icon fills */
-.bp3-icon.jp-BPIcon > svg:not([fill]) {
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-}
-
-.jp-InputGroupAction {
-  padding: 6px;
-}
-
-.jp-HTMLSelect.jp-DefaultStyle select {
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-  font-size: var(--jp-ui-font-size1);
-  height: 24px;
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-  padding: 0 25px 0 10px;
-  text-align: left;
-  -moz-appearance: none;
-  -webkit-appearance: none;
-}
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-/* Use our own theme for hover and option styles */
-.jp-HTMLSelect.jp-DefaultStyle select:hover,
-.jp-HTMLSelect.jp-DefaultStyle select > option {
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-  color: var(--jp-ui-font-color0);
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-select {
-  box-sizing: border-box;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-Collapse {
-  display: flex;
-  flex-direction: column;
-  align-items: stretch;
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-}
-
-.jp-Collapse-header {
-  padding: 1px 12px;
-  color: var(--jp-ui-font-color1);
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-.jp-Collapse-header:hover {
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-.jp-Collapse-contents {
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-  color: var(--jp-ui-font-color1);
-  overflow: auto;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
-
-:root {
-  --jp-private-commandpalette-search-height: 28px;
-}
-
-/*-----------------------------------------------------------------------------
-| Overall styles
-|----------------------------------------------------------------------------*/
-
-.lm-CommandPalette {
-  padding-bottom: 0px;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-}
-
-/*-----------------------------------------------------------------------------
-| Modal variant
-|----------------------------------------------------------------------------*/
-
-.jp-ModalCommandPalette {
-  position: absolute;
-  z-index: 10000;
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-  left: 30%;
-  margin: 0;
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-.jp-ModalCommandPalette .lm-CommandPalette {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
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-  margin-right: 4px;
-}
-
-.jp-ModalCommandPalette
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-  .lm-CommandPalette-item.lm-mod-disabled {
-  display: none;
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-
-/*-----------------------------------------------------------------------------
-| Search
-|----------------------------------------------------------------------------*/
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-.lm-CommandPalette-search {
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-/*-----------------------------------------------------------------------------
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-.lm-CommandPalette-header:first-child {
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-  border: var(--jp-border-width) solid var(--jp-border-color1);
-  padding-left: 7px;
-  padding-right: 7px;
-  font-size: var(--jp-ui-font-size2);
-  color: var(--jp-ui-font-color0);
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-input.jp-mod-styled:focus {
-  border: var(--jp-border-width) solid var(--md-blue-500);
-  box-shadow: inset 0 0 4px var(--md-blue-300);
-}
-
-.jp-select-wrapper {
-  display: flex;
-  position: relative;
-  flex-direction: column;
-  padding: 1px;
-  background-color: var(--jp-layout-color1);
-  height: 28px;
-  box-sizing: border-box;
-  margin-bottom: 12px;
-}
-
-.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
-  background-color: var(--jp-input-active-background);
-}
-
-select.jp-mod-styled:hover {
-  background-color: var(--jp-layout-color1);
-  cursor: pointer;
-  color: var(--jp-ui-font-color0);
-  background-color: var(--jp-input-hover-background);
-  box-shadow: inset 0 0px 1px rgba(0, 0, 0, 0.5);
-}
-
-select.jp-mod-styled {
-  flex: 1 1 auto;
-  height: 32px;
-  width: 100%;
-  font-size: var(--jp-ui-font-size2);
-  background: var(--jp-input-background);
-  color: var(--jp-ui-font-color0);
-  padding: 0 25px 0 8px;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
 :root {
-  --jp-private-toolbar-height: calc(
-    28px + var(--jp-border-width)
-  ); /* leave 28px for content */
-}
-
-.jp-Toolbar {
-  color: var(--jp-ui-font-color1);
-  flex: 0 0 auto;
-  display: flex;
-  flex-direction: row;
-  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
-  box-shadow: var(--jp-toolbar-box-shadow);
-  background: var(--jp-toolbar-background);
-  min-height: var(--jp-toolbar-micro-height);
-  padding: 2px;
-  z-index: 1;
-  overflow-x: hidden;
-}
-
-.jp-Toolbar:hover {
-  overflow-x: auto;
-}
-
-/* Toolbar items */
-
-.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
-  flex-grow: 1;
-  flex-shrink: 1;
-}
-
-.jp-Toolbar-item.jp-Toolbar-kernelStatus {
-  display: inline-block;
-  width: 32px;
-  background-repeat: no-repeat;
-  background-position: center;
-  background-size: 16px;
-}
-
-.jp-Toolbar > .jp-Toolbar-item {
-  flex: 0 0 auto;
-  display: flex;
-  padding-left: 1px;
-  padding-right: 1px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: var(--jp-private-toolbar-height);
-  height: 100%;
-}
-
-/* Toolbar buttons */
-
-/* This is the div we use to wrap the react component into a Widget */
-div.jp-ToolbarButton {
-  color: transparent;
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px;
-  margin: 0px;
-}
-
-button.jp-ToolbarButtonComponent {
-  background: var(--jp-layout-color1);
-  border: none;
-  box-sizing: border-box;
-  outline: none;
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-  -moz-appearance: none;
-  padding: 0px 6px;
-  margin: 0px;
-  height: 24px;
-  border-radius: var(--jp-border-radius);
-  display: flex;
-  align-items: center;
-  text-align: center;
-  font-size: 14px;
-  min-width: unset;
-  min-height: unset;
-}
-
-button.jp-ToolbarButtonComponent:disabled {
-  opacity: 0.4;
-}
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-  padding: 0px;
-  flex: 0 0 auto;
-}
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-button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
-  font-size: var(--jp-ui-font-size1);
-  line-height: 100%;
-  padding-left: 2px;
-  color: var(--jp-ui-font-color1);
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar.jp-Toolbar-micro {
-  padding: 0;
-  min-height: 0;
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar {
-  border: none;
-  box-shadow: none;
+  --md-red-50: #ffebee;
+  --md-red-100: #ffcdd2;
+  --md-red-200: #ef9a9a;
+  --md-red-300: #e57373;
+  --md-red-400: #ef5350;
+  --md-red-500: #f44336;
+  --md-red-600: #e53935;
+  --md-red-700: #d32f2f;
+  --md-red-800: #c62828;
+  --md-red-900: #b71c1c;
+  --md-red-A100: #ff8a80;
+  --md-red-A200: #ff5252;
+  --md-red-A400: #ff1744;
+  --md-red-A700: #d50000;
+  --md-pink-50: #fce4ec;
+  --md-pink-100: #f8bbd0;
+  --md-pink-200: #f48fb1;
+  --md-pink-300: #f06292;
+  --md-pink-400: #ec407a;
+  --md-pink-500: #e91e63;
+  --md-pink-600: #d81b60;
+  --md-pink-700: #c2185b;
+  --md-pink-800: #ad1457;
+  --md-pink-900: #880e4f;
+  --md-pink-A100: #ff80ab;
+  --md-pink-A200: #ff4081;
+  --md-pink-A400: #f50057;
+  --md-pink-A700: #c51162;
+  --md-purple-50: #f3e5f5;
+  --md-purple-100: #e1bee7;
+  --md-purple-200: #ce93d8;
+  --md-purple-300: #ba68c8;
+  --md-purple-400: #ab47bc;
+  --md-purple-500: #9c27b0;
+  --md-purple-600: #8e24aa;
+  --md-purple-700: #7b1fa2;
+  --md-purple-800: #6a1b9a;
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+  --md-purple-A100: #ea80fc;
+  --md-purple-A200: #e040fb;
+  --md-purple-A400: #d500f9;
+  --md-purple-A700: #a0f;
+  --md-deep-purple-50: #ede7f6;
+  --md-deep-purple-100: #d1c4e9;
+  --md-deep-purple-200: #b39ddb;
+  --md-deep-purple-300: #9575cd;
+  --md-deep-purple-400: #7e57c2;
+  --md-deep-purple-500: #673ab7;
+  --md-deep-purple-600: #5e35b1;
+  --md-deep-purple-700: #512da8;
+  --md-deep-purple-800: #4527a0;
+  --md-deep-purple-900: #311b92;
+  --md-deep-purple-A100: #b388ff;
+  --md-deep-purple-A200: #7c4dff;
+  --md-deep-purple-A400: #651fff;
+  --md-deep-purple-A700: #6200ea;
+  --md-indigo-50: #e8eaf6;
+  --md-indigo-100: #c5cae9;
+  --md-indigo-200: #9fa8da;
+  --md-indigo-300: #7986cb;
+  --md-indigo-400: #5c6bc0;
+  --md-indigo-500: #3f51b5;
+  --md-indigo-600: #3949ab;
+  --md-indigo-700: #303f9f;
+  --md-indigo-800: #283593;
+  --md-indigo-900: #1a237e;
+  --md-indigo-A100: #8c9eff;
+  --md-indigo-A200: #536dfe;
+  --md-indigo-A400: #3d5afe;
+  --md-indigo-A700: #304ffe;
+  --md-blue-50: #e3f2fd;
+  --md-blue-100: #bbdefb;
+  --md-blue-200: #90caf9;
+  --md-blue-300: #64b5f6;
+  --md-blue-400: #42a5f5;
+  --md-blue-500: #2196f3;
+  --md-blue-600: #1e88e5;
+  --md-blue-700: #1976d2;
+  --md-blue-800: #1565c0;
+  --md-blue-900: #0d47a1;
+  --md-blue-A100: #82b1ff;
+  --md-blue-A200: #448aff;
+  --md-blue-A400: #2979ff;
+  --md-blue-A700: #2962ff;
+  --md-light-blue-50: #e1f5fe;
+  --md-light-blue-100: #b3e5fc;
+  --md-light-blue-200: #81d4fa;
+  --md-light-blue-300: #4fc3f7;
+  --md-light-blue-400: #29b6f6;
+  --md-light-blue-500: #03a9f4;
+  --md-light-blue-600: #039be5;
+  --md-light-blue-700: #0288d1;
+  --md-light-blue-800: #0277bd;
+  --md-light-blue-900: #01579b;
+  --md-light-blue-A100: #80d8ff;
+  --md-light-blue-A200: #40c4ff;
+  --md-light-blue-A400: #00b0ff;
+  --md-light-blue-A700: #0091ea;
+  --md-cyan-50: #e0f7fa;
+  --md-cyan-100: #b2ebf2;
+  --md-cyan-200: #80deea;
+  --md-cyan-300: #4dd0e1;
+  --md-cyan-400: #26c6da;
+  --md-cyan-500: #00bcd4;
+  --md-cyan-600: #00acc1;
+  --md-cyan-700: #0097a7;
+  --md-cyan-800: #00838f;
+  --md-cyan-900: #006064;
+  --md-cyan-A100: #84ffff;
+  --md-cyan-A200: #18ffff;
+  --md-cyan-A400: #00e5ff;
+  --md-cyan-A700: #00b8d4;
+  --md-teal-50: #e0f2f1;
+  --md-teal-100: #b2dfdb;
+  --md-teal-200: #80cbc4;
+  --md-teal-300: #4db6ac;
+  --md-teal-400: #26a69a;
+  --md-teal-500: #009688;
+  --md-teal-600: #00897b;
+  --md-teal-700: #00796b;
+  --md-teal-800: #00695c;
+  --md-teal-900: #004d40;
+  --md-teal-A100: #a7ffeb;
+  --md-teal-A200: #64ffda;
+  --md-teal-A400: #1de9b6;
+  --md-teal-A700: #00bfa5;
+  --md-green-50: #e8f5e9;
+  --md-green-100: #c8e6c9;
+  --md-green-200: #a5d6a7;
+  --md-green-300: #81c784;
+  --md-green-400: #66bb6a;
+  --md-green-500: #4caf50;
+  --md-green-600: #43a047;
+  --md-green-700: #388e3c;
+  --md-green-800: #2e7d32;
+  --md-green-900: #1b5e20;
+  --md-green-A100: #b9f6ca;
+  --md-green-A200: #69f0ae;
+  --md-green-A400: #00e676;
+  --md-green-A700: #00c853;
+  --md-light-green-50: #f1f8e9;
+  --md-light-green-100: #dcedc8;
+  --md-light-green-200: #c5e1a5;
+  --md-light-green-300: #aed581;
+  --md-light-green-400: #9ccc65;
+  --md-light-green-500: #8bc34a;
+  --md-light-green-600: #7cb342;
+  --md-light-green-700: #689f38;
+  --md-light-green-800: #558b2f;
+  --md-light-green-900: #33691e;
+  --md-light-green-A100: #ccff90;
+  --md-light-green-A200: #b2ff59;
+  --md-light-green-A400: #76ff03;
+  --md-light-green-A700: #64dd17;
+  --md-lime-50: #f9fbe7;
+  --md-lime-100: #f0f4c3;
+  --md-lime-200: #e6ee9c;
+  --md-lime-300: #dce775;
+  --md-lime-400: #d4e157;
+  --md-lime-500: #cddc39;
+  --md-lime-600: #c0ca33;
+  --md-lime-700: #afb42b;
+  --md-lime-800: #9e9d24;
+  --md-lime-900: #827717;
+  --md-lime-A100: #f4ff81;
+  --md-lime-A200: #eeff41;
+  --md-lime-A400: #c6ff00;
+  --md-lime-A700: #aeea00;
+  --md-yellow-50: #fffde7;
+  --md-yellow-100: #fff9c4;
+  --md-yellow-200: #fff59d;
+  --md-yellow-300: #fff176;
+  --md-yellow-400: #ffee58;
+  --md-yellow-500: #ffeb3b;
+  --md-yellow-600: #fdd835;
+  --md-yellow-700: #fbc02d;
+  --md-yellow-800: #f9a825;
+  --md-yellow-900: #f57f17;
+  --md-yellow-A100: #ffff8d;
+  --md-yellow-A200: #ff0;
+  --md-yellow-A400: #ffea00;
+  --md-yellow-A700: #ffd600;
+  --md-amber-50: #fff8e1;
+  --md-amber-100: #ffecb3;
+  --md-amber-200: #ffe082;
+  --md-amber-300: #ffd54f;
+  --md-amber-400: #ffca28;
+  --md-amber-500: #ffc107;
+  --md-amber-600: #ffb300;
+  --md-amber-700: #ffa000;
+  --md-amber-800: #ff8f00;
+  --md-amber-900: #ff6f00;
+  --md-amber-A100: #ffe57f;
+  --md-amber-A200: #ffd740;
+  --md-amber-A400: #ffc400;
+  --md-amber-A700: #ffab00;
+  --md-orange-50: #fff3e0;
+  --md-orange-100: #ffe0b2;
+  --md-orange-200: #ffcc80;
+  --md-orange-300: #ffb74d;
+  --md-orange-400: #ffa726;
+  --md-orange-500: #ff9800;
+  --md-orange-600: #fb8c00;
+  --md-orange-700: #f57c00;
+  --md-orange-800: #ef6c00;
+  --md-orange-900: #e65100;
+  --md-orange-A100: #ffd180;
+  --md-orange-A200: #ffab40;
+  --md-orange-A400: #ff9100;
+  --md-orange-A700: #ff6d00;
+  --md-deep-orange-50: #fbe9e7;
+  --md-deep-orange-100: #ffccbc;
+  --md-deep-orange-200: #ffab91;
+  --md-deep-orange-300: #ff8a65;
+  --md-deep-orange-400: #ff7043;
+  --md-deep-orange-500: #ff5722;
+  --md-deep-orange-600: #f4511e;
+  --md-deep-orange-700: #e64a19;
+  --md-deep-orange-800: #d84315;
+  --md-deep-orange-900: #bf360c;
+  --md-deep-orange-A100: #ff9e80;
+  --md-deep-orange-A200: #ff6e40;
+  --md-deep-orange-A400: #ff3d00;
+  --md-deep-orange-A700: #dd2c00;
+  --md-brown-50: #efebe9;
+  --md-brown-100: #d7ccc8;
+  --md-brown-200: #bcaaa4;
+  --md-brown-300: #a1887f;
+  --md-brown-400: #8d6e63;
+  --md-brown-500: #795548;
+  --md-brown-600: #6d4c41;
+  --md-brown-700: #5d4037;
+  --md-brown-800: #4e342e;
+  --md-brown-900: #3e2723;
+  --md-grey-50: #fafafa;
+  --md-grey-100: #f5f5f5;
+  --md-grey-200: #eee;
+  --md-grey-300: #e0e0e0;
+  --md-grey-400: #bdbdbd;
+  --md-grey-500: #9e9e9e;
+  --md-grey-600: #757575;
+  --md-grey-700: #616161;
+  --md-grey-800: #424242;
+  --md-grey-900: #212121;
+  --md-blue-grey-50: #eceff1;
+  --md-blue-grey-100: #cfd8dc;
+  --md-blue-grey-200: #b0bec5;
+  --md-blue-grey-300: #90a4ae;
+  --md-blue-grey-400: #78909c;
+  --md-blue-grey-500: #607d8b;
+  --md-blue-grey-600: #546e7a;
+  --md-blue-grey-700: #455a64;
+  --md-blue-grey-800: #37474f;
+  --md-blue-grey-900: #263238;
 }
 
 /*-----------------------------------------------------------------------------
@@ -11160,1290 +3771,1183 @@
 
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
-| Copyright (c) 2014-2017, PhosphorJS Contributors
-|
-| Distributed under the terms of the BSD 3-Clause License.
-|
-| The full license is in the file LICENSE, distributed with this software.
-|----------------------------------------------------------------------------*/
-
-
-/* <DEPRECATED> */ body.p-mod-override-cursor *, /* </DEPRECATED> */
-body.lm-mod-override-cursor * {
-  cursor: inherit !important;
-}
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
+| RenderedText
 |----------------------------------------------------------------------------*/
 
-.jp-JSONEditor {
-  display: flex;
-  flex-direction: column;
-  width: 100%;
+:root {
+  /* This is the padding value to fill the gaps between lines containing spans with background color. */
+  --jp-private-code-span-padding: calc(
+    (var(--jp-code-line-height) - 1) * var(--jp-code-font-size) / 2
+  );
 }
 
-.jp-JSONEditor-host {
-  flex: 1 1 auto;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  background: var(--jp-layout-color0);
-  min-height: 50px;
-  padding: 1px;
+.jp-RenderedText {
+  text-align: left;
+  padding-left: var(--jp-code-padding);
+  line-height: var(--jp-code-line-height);
+  font-family: var(--jp-code-font-family);
 }
 
-.jp-JSONEditor.jp-mod-error .jp-JSONEditor-host {
-  border-color: red;
-  outline-color: red;
+.jp-RenderedText pre,
+.jp-RenderedJavaScript pre,
+.jp-RenderedHTMLCommon pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+  border: none;
+  margin: 0;
+  padding: 0;
 }
 
-.jp-JSONEditor-header {
-  display: flex;
-  flex: 1 0 auto;
-  padding: 0 0 0 12px;
+.jp-RenderedText pre a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-header label {
-  flex: 0 0 auto;
+.jp-RenderedText pre a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-commitButton {
-  height: 16px;
-  width: 16px;
-  background-size: 18px;
-  background-repeat: no-repeat;
-  background-position: center;
+.jp-RenderedText pre a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-host.jp-mod-focused {
-  background-color: var(--jp-input-active-background);
-  border: 1px solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+/* console foregrounds and backgrounds */
+.jp-RenderedText pre .ansi-black-fg {
+  color: #3e424d;
 }
 
-.jp-Editor.jp-mod-dropTarget {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre .ansi-red-fg {
+  color: #e75c58;
 }
 
-/* BASICS */
-
-.CodeMirror {
-  /* Set height, width, borders, and global font properties here */
-  font-family: monospace;
-  height: 300px;
-  color: black;
-  direction: ltr;
+.jp-RenderedText pre .ansi-green-fg {
+  color: #00a250;
 }
 
-/* PADDING */
-
-.CodeMirror-lines {
-  padding: 4px 0; /* Vertical padding around content */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  padding: 0 4px; /* Horizontal padding of content */
+.jp-RenderedText pre .ansi-yellow-fg {
+  color: #ddb62b;
 }
 
-.CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  background-color: white; /* The little square between H and V scrollbars */
+.jp-RenderedText pre .ansi-blue-fg {
+  color: #208ffb;
 }
 
-/* GUTTER */
-
-.CodeMirror-gutters {
-  border-right: 1px solid #ddd;
-  background-color: #f7f7f7;
-  white-space: nowrap;
-}
-.CodeMirror-linenumbers {}
-.CodeMirror-linenumber {
-  padding: 0 3px 0 5px;
-  min-width: 20px;
-  text-align: right;
-  color: #999;
-  white-space: nowrap;
+.jp-RenderedText pre .ansi-magenta-fg {
+  color: #d160c4;
 }
 
-.CodeMirror-guttermarker { color: black; }
-.CodeMirror-guttermarker-subtle { color: #999; }
-
-/* CURSOR */
-
-.CodeMirror-cursor {
-  border-left: 1px solid black;
-  border-right: none;
-  width: 0;
-}
-/* Shown when moving in bi-directional text */
-.CodeMirror div.CodeMirror-secondarycursor {
-  border-left: 1px solid silver;
-}
-.cm-fat-cursor .CodeMirror-cursor {
-  width: auto;
-  border: 0 !important;
-  background: #7e7;
-}
-.cm-fat-cursor div.CodeMirror-cursors {
-  z-index: 1;
-}
-.cm-fat-cursor-mark {
-  background-color: rgba(20, 255, 20, 0.5);
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-}
-.cm-animate-fat-cursor {
-  width: auto;
-  border: 0;
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-  background-color: #7e7;
-}
-@-moz-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@-webkit-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+.jp-RenderedText pre .ansi-cyan-fg {
+  color: #60c6c8;
 }
 
-/* Can style cursor different in overwrite (non-insert) mode */
-.CodeMirror-overwrite .CodeMirror-cursor {}
-
-.cm-tab { display: inline-block; text-decoration: inherit; }
-
-.CodeMirror-rulers {
-  position: absolute;
-  left: 0; right: 0; top: -50px; bottom: 0;
-  overflow: hidden;
-}
-.CodeMirror-ruler {
-  border-left: 1px solid #ccc;
-  top: 0; bottom: 0;
-  position: absolute;
+.jp-RenderedText pre .ansi-white-fg {
+  color: #c5c1b4;
 }
 
-/* DEFAULT THEME */
-
-.cm-s-default .cm-header {color: blue;}
-.cm-s-default .cm-quote {color: #090;}
-.cm-negative {color: #d44;}
-.cm-positive {color: #292;}
-.cm-header, .cm-strong {font-weight: bold;}
-.cm-em {font-style: italic;}
-.cm-link {text-decoration: underline;}
-.cm-strikethrough {text-decoration: line-through;}
-
-.cm-s-default .cm-keyword {color: #708;}
-.cm-s-default .cm-atom {color: #219;}
-.cm-s-default .cm-number {color: #164;}
-.cm-s-default .cm-def {color: #00f;}
-.cm-s-default .cm-variable,
-.cm-s-default .cm-punctuation,
-.cm-s-default .cm-property,
-.cm-s-default .cm-operator {}
-.cm-s-default .cm-variable-2 {color: #05a;}
-.cm-s-default .cm-variable-3, .cm-s-default .cm-type {color: #085;}
-.cm-s-default .cm-comment {color: #a50;}
-.cm-s-default .cm-string {color: #a11;}
-.cm-s-default .cm-string-2 {color: #f50;}
-.cm-s-default .cm-meta {color: #555;}
-.cm-s-default .cm-qualifier {color: #555;}
-.cm-s-default .cm-builtin {color: #30a;}
-.cm-s-default .cm-bracket {color: #997;}
-.cm-s-default .cm-tag {color: #170;}
-.cm-s-default .cm-attribute {color: #00c;}
-.cm-s-default .cm-hr {color: #999;}
-.cm-s-default .cm-link {color: #00c;}
-
-.cm-s-default .cm-error {color: #f00;}
-.cm-invalidchar {color: #f00;}
-
-.CodeMirror-composing { border-bottom: 2px solid; }
-
-/* Default styles for common addons */
-
-div.CodeMirror span.CodeMirror-matchingbracket {color: #0b0;}
-div.CodeMirror span.CodeMirror-nonmatchingbracket {color: #a22;}
-.CodeMirror-matchingtag { background: rgba(255, 150, 0, .3); }
-.CodeMirror-activeline-background {background: #e8f2ff;}
-
-/* STOP */
-
-/* The rest of this file contains styles related to the mechanics of
-   the editor. You probably shouldn't touch them. */
-
-.CodeMirror {
-  position: relative;
-  overflow: hidden;
-  background: white;
+.jp-RenderedText pre .ansi-black-bg {
+  background-color: #3e424d;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-scroll {
-  overflow: scroll !important; /* Things will break if this is overridden */
-  /* 50px is the magic margin used to hide the element's real scrollbars */
-  /* See overflow: hidden in .CodeMirror */
-  margin-bottom: -50px; margin-right: -50px;
-  padding-bottom: 50px;
-  height: 100%;
-  outline: none; /* Prevent dragging from highlighting the element */
-  position: relative;
-}
-.CodeMirror-sizer {
-  position: relative;
-  border-right: 50px solid transparent;
+.jp-RenderedText pre .ansi-red-bg {
+  background-color: #e75c58;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* The fake, visible scrollbars. Used to force redraw during scrolling
-   before actual scrolling happens, thus preventing shaking and
-   flickering artifacts. */
-.CodeMirror-vscrollbar, .CodeMirror-hscrollbar, .CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  position: absolute;
-  z-index: 6;
-  display: none;
-}
-.CodeMirror-vscrollbar {
-  right: 0; top: 0;
-  overflow-x: hidden;
-  overflow-y: scroll;
-}
-.CodeMirror-hscrollbar {
-  bottom: 0; left: 0;
-  overflow-y: hidden;
-  overflow-x: scroll;
-}
-.CodeMirror-scrollbar-filler {
-  right: 0; bottom: 0;
-}
-.CodeMirror-gutter-filler {
-  left: 0; bottom: 0;
+.jp-RenderedText pre .ansi-green-bg {
+  background-color: #00a250;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-gutters {
-  position: absolute; left: 0; top: 0;
-  min-height: 100%;
-  z-index: 3;
-}
-.CodeMirror-gutter {
-  white-space: normal;
-  height: 100%;
-  display: inline-block;
-  vertical-align: top;
-  margin-bottom: -50px;
-}
-.CodeMirror-gutter-wrapper {
-  position: absolute;
-  z-index: 4;
-  background: none !important;
-  border: none !important;
-}
-.CodeMirror-gutter-background {
-  position: absolute;
-  top: 0; bottom: 0;
-  z-index: 4;
-}
-.CodeMirror-gutter-elt {
-  position: absolute;
-  cursor: default;
-  z-index: 4;
+.jp-RenderedText pre .ansi-yellow-bg {
+  background-color: #ddb62b;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-gutter-wrapper ::selection { background-color: transparent }
-.CodeMirror-gutter-wrapper ::-moz-selection { background-color: transparent }
 
-.CodeMirror-lines {
-  cursor: text;
-  min-height: 1px; /* prevents collapsing before first draw */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  /* Reset some styles that the rest of the page might have set */
-  -moz-border-radius: 0; -webkit-border-radius: 0; border-radius: 0;
-  border-width: 0;
-  background: transparent;
-  font-family: inherit;
-  font-size: inherit;
-  margin: 0;
-  white-space: pre;
-  word-wrap: normal;
-  line-height: inherit;
-  color: inherit;
-  z-index: 2;
-  position: relative;
-  overflow: visible;
-  -webkit-tap-highlight-color: transparent;
-  -webkit-font-variant-ligatures: contextual;
-  font-variant-ligatures: contextual;
-}
-.CodeMirror-wrap pre.CodeMirror-line,
-.CodeMirror-wrap pre.CodeMirror-line-like {
-  word-wrap: break-word;
-  white-space: pre-wrap;
-  word-break: normal;
+.jp-RenderedText pre .ansi-blue-bg {
+  background-color: #208ffb;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linebackground {
-  position: absolute;
-  left: 0; right: 0; top: 0; bottom: 0;
-  z-index: 0;
+.jp-RenderedText pre .ansi-magenta-bg {
+  background-color: #d160c4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linewidget {
-  position: relative;
-  z-index: 2;
-  padding: 0.1px; /* Force widget margins to stay inside of the container */
+.jp-RenderedText pre .ansi-cyan-bg {
+  background-color: #60c6c8;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-widget {}
+.jp-RenderedText pre .ansi-white-bg {
+  background-color: #c5c1b4;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rtl pre { direction: rtl; }
+.jp-RenderedText pre .ansi-black-intense-fg {
+  color: #282c36;
+}
 
-.CodeMirror-code {
-  outline: none;
+.jp-RenderedText pre .ansi-red-intense-fg {
+  color: #b22b31;
 }
 
-/* Force content-box sizing for the elements where we expect it */
-.CodeMirror-scroll,
-.CodeMirror-sizer,
-.CodeMirror-gutter,
-.CodeMirror-gutters,
-.CodeMirror-linenumber {
-  -moz-box-sizing: content-box;
-  box-sizing: content-box;
+.jp-RenderedText pre .ansi-green-intense-fg {
+  color: #007427;
 }
 
-.CodeMirror-measure {
-  position: absolute;
-  width: 100%;
-  height: 0;
-  overflow: hidden;
-  visibility: hidden;
+.jp-RenderedText pre .ansi-yellow-intense-fg {
+  color: #b27d12;
 }
 
-.CodeMirror-cursor {
-  position: absolute;
-  pointer-events: none;
+.jp-RenderedText pre .ansi-blue-intense-fg {
+  color: #0065ca;
 }
-.CodeMirror-measure pre { position: static; }
 
-div.CodeMirror-cursors {
-  visibility: hidden;
-  position: relative;
-  z-index: 3;
+.jp-RenderedText pre .ansi-magenta-intense-fg {
+  color: #a03196;
 }
-div.CodeMirror-dragcursors {
-  visibility: visible;
+
+.jp-RenderedText pre .ansi-cyan-intense-fg {
+  color: #258f8f;
 }
 
-.CodeMirror-focused div.CodeMirror-cursors {
-  visibility: visible;
+.jp-RenderedText pre .ansi-white-intense-fg {
+  color: #a1a6b2;
 }
 
-.CodeMirror-selected { background: #d9d9d9; }
-.CodeMirror-focused .CodeMirror-selected { background: #d7d4f0; }
-.CodeMirror-crosshair { cursor: crosshair; }
-.CodeMirror-line::selection, .CodeMirror-line > span::selection, .CodeMirror-line > span > span::selection { background: #d7d4f0; }
-.CodeMirror-line::-moz-selection, .CodeMirror-line > span::-moz-selection, .CodeMirror-line > span > span::-moz-selection { background: #d7d4f0; }
+.jp-RenderedText pre .ansi-black-intense-bg {
+  background-color: #282c36;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.cm-searching {
-  background-color: #ffa;
-  background-color: rgba(255, 255, 0, .4);
+.jp-RenderedText pre .ansi-red-intense-bg {
+  background-color: #b22b31;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* Used to force a border model for a node */
-.cm-force-border { padding-right: .1px; }
+.jp-RenderedText pre .ansi-green-intense-bg {
+  background-color: #007427;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-@media print {
-  /* Hide the cursor when printing */
-  .CodeMirror div.CodeMirror-cursors {
-    visibility: hidden;
-  }
+.jp-RenderedText pre .ansi-yellow-intense-bg {
+  background-color: #b27d12;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* See issue #2901 */
-.cm-tab-wrap-hack:after { content: ''; }
+.jp-RenderedText pre .ansi-blue-intense-bg {
+  background-color: #0065ca;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-/* Help users use markselection to safely style text background */
-span.CodeMirror-selectedtext { background: none; }
+.jp-RenderedText pre .ansi-magenta-intense-bg {
+  background-color: #a03196;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-dialog {
-  position: absolute;
-  left: 0; right: 0;
-  background: inherit;
-  z-index: 15;
-  padding: .1em .8em;
-  overflow: hidden;
-  color: inherit;
+.jp-RenderedText pre .ansi-cyan-intense-bg {
+  background-color: #258f8f;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-top {
-  border-bottom: 1px solid #eee;
-  top: 0;
+.jp-RenderedText pre .ansi-white-intense-bg {
+  background-color: #a1a6b2;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-bottom {
-  border-top: 1px solid #eee;
-  bottom: 0;
+.jp-RenderedText pre .ansi-default-inverse-fg {
+  color: var(--jp-ui-inverse-font-color0);
 }
 
-.CodeMirror-dialog input {
-  border: none;
-  outline: none;
-  background: transparent;
-  width: 20em;
-  color: inherit;
-  font-family: monospace;
+.jp-RenderedText pre .ansi-default-inverse-bg {
+  background-color: var(--jp-inverse-layout-color0);
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog button {
-  font-size: 70%;
+.jp-RenderedText pre .ansi-bold {
+  font-weight: bold;
 }
 
-.CodeMirror-foldmarker {
-  color: blue;
-  text-shadow: #b9f 1px 1px 2px, #b9f -1px -1px 2px, #b9f 1px -1px 2px, #b9f -1px 1px 2px;
-  font-family: arial;
-  line-height: .3;
-  cursor: pointer;
-}
-.CodeMirror-foldgutter {
-  width: .7em;
-}
-.CodeMirror-foldgutter-open,
-.CodeMirror-foldgutter-folded {
-  cursor: pointer;
-}
-.CodeMirror-foldgutter-open:after {
-  content: "\25BE";
+.jp-RenderedText pre .ansi-underline {
+  text-decoration: underline;
 }
-.CodeMirror-foldgutter-folded:after {
-  content: "\25B8";
+
+.jp-RenderedText[data-mime-type='application/vnd.jupyter.stderr'] {
+  background: var(--jp-rendermime-error-background);
+  padding-top: var(--jp-code-padding);
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
+| RenderedLatex
 |----------------------------------------------------------------------------*/
 
-.CodeMirror {
-  line-height: var(--jp-code-line-height);
-  font-size: var(--jp-code-font-size);
-  font-family: var(--jp-code-font-family);
-  border: 0;
-  border-radius: 0;
-  height: auto;
-  /* Changed to auto to autogrow */
+.jp-RenderedLatex {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 }
 
-.CodeMirror pre {
-  padding: 0 var(--jp-code-padding);
+/* Left-justify outputs.*/
+.jp-OutputArea-output.jp-RenderedLatex {
+  padding: var(--jp-code-padding);
+  text-align: left;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-dialog {
-  background-color: var(--jp-layout-color0);
+/*-----------------------------------------------------------------------------
+| RenderedHTML
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedHTMLCommon {
   color: var(--jp-content-font-color1);
+  font-family: var(--jp-content-font-family);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
+
+  /* Give a bit more R padding on Markdown text to keep line lengths reasonable */
+  padding-right: 20px;
 }
 
-/* This causes https://github.com/jupyter/jupyterlab/issues/522 */
-/* May not cause it not because we changed it! */
-.CodeMirror-lines {
-  padding: var(--jp-code-padding) 0;
+.jp-RenderedHTMLCommon em {
+  font-style: italic;
 }
 
-.CodeMirror-linenumber {
-  padding: 0 8px;
+.jp-RenderedHTMLCommon strong {
+  font-weight: bold;
 }
 
-.jp-CodeMirrorEditor {
-  cursor: text;
+.jp-RenderedHTMLCommon u {
+  text-decoration: underline;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
+.jp-RenderedHTMLCommon a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
-@media screen and (min-width: 2138px) and (max-width: 4319px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width1) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out less than 33% */
-@media screen and (min-width: 4320px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width2) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror.jp-mod-readOnly .CodeMirror-cursor {
-  display: none;
+/* Headings */
+
+.jp-RenderedHTMLCommon h1,
+.jp-RenderedHTMLCommon h2,
+.jp-RenderedHTMLCommon h3,
+.jp-RenderedHTMLCommon h4,
+.jp-RenderedHTMLCommon h5,
+.jp-RenderedHTMLCommon h6 {
+  line-height: var(--jp-content-heading-line-height);
+  font-weight: var(--jp-content-heading-font-weight);
+  font-style: normal;
+  margin: var(--jp-content-heading-margin-top) 0
+    var(--jp-content-heading-margin-bottom) 0;
 }
 
-.CodeMirror-gutters {
-  border-right: 1px solid var(--jp-border-color2);
-  background-color: var(--jp-layout-color0);
+.jp-RenderedHTMLCommon h1:first-child,
+.jp-RenderedHTMLCommon h2:first-child,
+.jp-RenderedHTMLCommon h3:first-child,
+.jp-RenderedHTMLCommon h4:first-child,
+.jp-RenderedHTMLCommon h5:first-child,
+.jp-RenderedHTMLCommon h6:first-child {
+  margin-top: calc(0.5 * var(--jp-content-heading-margin-top));
 }
 
-.jp-CollaboratorCursor {
-  border-left: 5px solid transparent;
-  border-right: 5px solid transparent;
-  border-top: none;
-  border-bottom: 3px solid;
-  background-clip: content-box;
-  margin-left: -5px;
-  margin-right: -5px;
+.jp-RenderedHTMLCommon h1:last-child,
+.jp-RenderedHTMLCommon h2:last-child,
+.jp-RenderedHTMLCommon h3:last-child,
+.jp-RenderedHTMLCommon h4:last-child,
+.jp-RenderedHTMLCommon h5:last-child,
+.jp-RenderedHTMLCommon h6:last-child {
+  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
 }
 
-.CodeMirror-selectedtext.cm-searching {
-  background-color: var(--jp-search-selected-match-background-color) !important;
-  color: var(--jp-search-selected-match-color) !important;
+.jp-RenderedHTMLCommon h1 {
+  font-size: var(--jp-content-font-size5);
 }
 
-.cm-searching {
-  background-color: var(
-    --jp-search-unselected-match-background-color
-  ) !important;
-  color: var(--jp-search-unselected-match-color) !important;
+.jp-RenderedHTMLCommon h2 {
+  font-size: var(--jp-content-font-size4);
 }
 
-.CodeMirror-focused .CodeMirror-selected {
-  background-color: var(--jp-editor-selected-focused-background);
+.jp-RenderedHTMLCommon h3 {
+  font-size: var(--jp-content-font-size3);
 }
 
-.CodeMirror-selected {
-  background-color: var(--jp-editor-selected-background);
+.jp-RenderedHTMLCommon h4 {
+  font-size: var(--jp-content-font-size2);
 }
 
-.jp-CollaboratorCursor-hover {
-  position: absolute;
-  z-index: 1;
-  transform: translateX(-50%);
-  color: white;
-  border-radius: 3px;
-  padding-left: 4px;
-  padding-right: 4px;
-  padding-top: 1px;
-  padding-bottom: 1px;
-  text-align: center;
-  font-size: var(--jp-ui-font-size1);
-  white-space: nowrap;
+.jp-RenderedHTMLCommon h5 {
+  font-size: var(--jp-content-font-size1);
 }
 
-.jp-CodeMirror-ruler {
-  border-left: 1px dashed var(--jp-border-color2);
+.jp-RenderedHTMLCommon h6 {
+  font-size: var(--jp-content-font-size0);
 }
 
-/**
- * Here is our jupyter theme for CodeMirror syntax highlighting
- * This is used in our marked.js syntax highlighting and CodeMirror itself
- * The string "jupyter" is set in ../codemirror/widget.DEFAULT_CODEMIRROR_THEME
- * This came from the classic notebook, which came form highlight.js/GitHub
- */
+/* Lists */
 
-/**
- * CodeMirror themes are handling the background/color in this way. This works
- * fine for CodeMirror editors outside the notebook, but the notebook styles
- * these things differently.
- */
-.CodeMirror.cm-s-jupyter {
-  background: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-}
+/* stylelint-disable selector-max-type, selector-max-compound-selectors */
 
-/* In the notebook, we want this styling to be handled by its container */
-.jp-CodeConsole .CodeMirror.cm-s-jupyter,
-.jp-Notebook .CodeMirror.cm-s-jupyter {
-  background: transparent;
+.jp-RenderedHTMLCommon ul:not(.list-inline),
+.jp-RenderedHTMLCommon ol:not(.list-inline) {
+  padding-left: 2em;
 }
 
-.cm-s-jupyter .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
-.cm-s-jupyter span.cm-keyword {
-  color: var(--jp-mirror-editor-keyword-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-atom {
-  color: var(--jp-mirror-editor-atom-color);
-}
-.cm-s-jupyter span.cm-number {
-  color: var(--jp-mirror-editor-number-color);
-}
-.cm-s-jupyter span.cm-def {
-  color: var(--jp-mirror-editor-def-color);
-}
-.cm-s-jupyter span.cm-variable {
-  color: var(--jp-mirror-editor-variable-color);
-}
-.cm-s-jupyter span.cm-variable-2 {
-  color: var(--jp-mirror-editor-variable-2-color);
-}
-.cm-s-jupyter span.cm-variable-3 {
-  color: var(--jp-mirror-editor-variable-3-color);
-}
-.cm-s-jupyter span.cm-punctuation {
-  color: var(--jp-mirror-editor-punctuation-color);
-}
-.cm-s-jupyter span.cm-property {
-  color: var(--jp-mirror-editor-property-color);
-}
-.cm-s-jupyter span.cm-operator {
-  color: var(--jp-mirror-editor-operator-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-comment {
-  color: var(--jp-mirror-editor-comment-color);
-  font-style: italic;
-}
-.cm-s-jupyter span.cm-string {
-  color: var(--jp-mirror-editor-string-color);
-}
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+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+.jp-DocumentSearch-input {
+  border: none;
+  outline: none;
+  color: var(--jp-ui-font-color0);
+  font-size: var(--jp-ui-font-size1);
+  background-color: var(--jp-layout-color0);
+  font-family: var(--jp-ui-font-family);
+  padding: 2px 1px;
+  resize: none;
+}
 
-.jp-RenderedHTMLCommon ul:not(.list-inline),
-.jp-RenderedHTMLCommon ol:not(.list-inline) {
-  padding-left: 2em;
+.jp-DocumentSearch-overlay {
+  position: absolute;
+  background-color: var(--jp-toolbar-background);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  border-left: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  top: 0;
+  right: 0;
+  z-index: 7;
+  min-width: 405px;
+  padding: 2px;
+  font-size: var(--jp-ui-font-size1);
+
+  --jp-private-document-search-button-height: 20px;
 }
 
-.jp-RenderedHTMLCommon ul {
-  list-style: disc;
+.jp-DocumentSearch-overlay button {
+  background-color: var(--jp-toolbar-background);
+  outline: 0;
 }
 
-.jp-RenderedHTMLCommon ul ul {
-  list-style: square;
+.jp-DocumentSearch-overlay button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon ul ul ul {
-  list-style: circle;
+.jp-DocumentSearch-overlay button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon ol {
-  list-style: decimal;
+.jp-DocumentSearch-overlay-row {
+  display: flex;
+  align-items: center;
+  margin-bottom: 2px;
 }
 
-.jp-RenderedHTMLCommon ol ol {
-  list-style: upper-alpha;
+.jp-DocumentSearch-button-content {
+  display: inline-block;
+  cursor: pointer;
+  box-sizing: border-box;
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon ol ol ol {
-  list-style: lower-alpha;
+.jp-DocumentSearch-button-content svg {
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol {
-  list-style: lower-roman;
+.jp-DocumentSearch-input-wrapper {
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  display: flex;
+  background-color: var(--jp-layout-color0);
+  margin: 2px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol ol {
-  list-style: decimal;
+.jp-DocumentSearch-input-wrapper:focus-within {
+  border-color: var(--jp-cell-editor-active-border-color);
 }
 
-.jp-RenderedHTMLCommon ol,
-.jp-RenderedHTMLCommon ul {
-  margin-bottom: 1em;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper {
+  all: initial;
+  overflow: hidden;
+  display: inline-block;
+  border: none;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon ul ul,
-.jp-RenderedHTMLCommon ul ol,
-.jp-RenderedHTMLCommon ol ul,
-.jp-RenderedHTMLCommon ol ol {
-  margin-bottom: 0em;
+.jp-DocumentSearch-toggle-wrapper {
+  width: 14px;
+  height: 14px;
 }
 
-.jp-RenderedHTMLCommon hr {
-  color: var(--jp-border-color2);
-  background-color: var(--jp-border-color1);
-  margin-top: 1em;
-  margin-bottom: 1em;
+.jp-DocumentSearch-button-wrapper {
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
 }
 
-.jp-RenderedHTMLCommon > pre {
-  margin: 1.5em 2em;
+.jp-DocumentSearch-toggle-wrapper:focus,
+.jp-DocumentSearch-button-wrapper:focus {
+  outline: var(--jp-border-width) solid
+    var(--jp-cell-editor-active-border-color);
+  outline-offset: -1px;
 }
 
-.jp-RenderedHTMLCommon pre,
-.jp-RenderedHTMLCommon code {
-  border: 0;
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  line-height: var(--jp-code-line-height);
-  padding: 0;
-  white-space: pre-wrap;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper,
+.jp-DocumentSearch-button-content:focus {
+  outline: none;
+}
+
+.jp-DocumentSearch-toggle-placeholder {
+  width: 5px;
+}
+
+.jp-DocumentSearch-input-button::before {
+  display: block;
+  padding-top: 100%;
+}
+
+.jp-DocumentSearch-input-button-off {
+  opacity: var(--jp-search-toggle-off-opacity);
 }
 
-.jp-RenderedHTMLCommon :not(pre) > code {
-  background-color: var(--jp-layout-color2);
-  padding: 1px 5px;
+.jp-DocumentSearch-input-button-off:hover {
+  opacity: var(--jp-search-toggle-hover-opacity);
 }
 
-/* Tables */
+.jp-DocumentSearch-input-button-on {
+  opacity: var(--jp-search-toggle-on-opacity);
+}
 
-.jp-RenderedHTMLCommon table {
-  border-collapse: collapse;
-  border-spacing: 0;
-  border: none;
-  color: var(--jp-ui-font-color1);
-  font-size: 12px;
-  table-layout: fixed;
+.jp-DocumentSearch-index-counter {
+  padding-left: 10px;
+  padding-right: 10px;
+  user-select: none;
+  min-width: 35px;
+  display: inline-block;
+}
+
+.jp-DocumentSearch-up-down-wrapper {
+  display: inline-block;
+  padding-right: 2px;
   margin-left: auto;
-  margin-right: auto;
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon thead {
-  border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
-  vertical-align: bottom;
+.jp-DocumentSearch-spacer {
+  margin-left: auto;
 }
 
-.jp-RenderedHTMLCommon td,
-.jp-RenderedHTMLCommon th,
-.jp-RenderedHTMLCommon tr {
-  vertical-align: middle;
-  padding: 0.5em 0.5em;
-  line-height: normal;
-  white-space: normal;
-  max-width: none;
+.jp-DocumentSearch-up-down-wrapper button {
+  outline: 0;
   border: none;
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
+  vertical-align: middle;
+  margin: 1px 5px 2px;
 }
 
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon td,
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon th {
-  max-width: none;
+.jp-DocumentSearch-up-down-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon td,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon th,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon tr {
-  text-align: right;
+.jp-DocumentSearch-up-down-button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon th {
-  font-weight: bold;
+.jp-DocumentSearch-filter-button {
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(odd) {
-  background: var(--jp-layout-color0);
+.jp-DocumentSearch-filter-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(even) {
-  background: var(--jp-rendermime-table-row-background);
+.jp-DocumentSearch-filter-button-enabled {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:hover {
-  background: var(--jp-rendermime-table-row-hover-background);
+.jp-DocumentSearch-filter-button-enabled:hover {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon table {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-options {
+  padding: 0 8px;
+  margin-left: 3px;
+  width: 100%;
+  display: grid;
+  justify-content: start;
+  grid-template-columns: 1fr 1fr;
+  align-items: center;
+  justify-items: stretch;
 }
 
-.jp-RenderedHTMLCommon p {
-  text-align: left;
-  margin: 0px;
+.jp-DocumentSearch-search-filter-disabled {
+  color: var(--jp-ui-font-color2);
 }
 
-.jp-RenderedHTMLCommon p {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-filter {
+  display: flex;
+  align-items: center;
+  user-select: none;
 }
 
-.jp-RenderedHTMLCommon img {
-  -moz-force-broken-image-icon: 1;
+.jp-DocumentSearch-regex-error {
+  color: var(--jp-error-color0);
 }
 
-/* Restrict to direct children as other images could be nested in other content. */
-.jp-RenderedHTMLCommon > img {
-  display: block;
-  margin-left: 0;
-  margin-right: 0;
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button-wrapper {
+  overflow: hidden;
+  display: inline-block;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  margin: auto 2px;
+  padding: 1px 4px;
+  height: calc(var(--jp-private-document-search-button-height) + 2px);
 }
 
-/* Change color behind transparent images if they need it... */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-light-background {
-  background-color: var(--jp-inverse-layout-color1);
+.jp-DocumentSearch-replace-button-wrapper:focus {
+  border: var(--jp-border-width) solid var(--jp-cell-editor-active-border-color);
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-dark-background {
-  background-color: var(--jp-inverse-layout-color1);
+
+.jp-DocumentSearch-replace-button {
+  display: inline-block;
+  text-align: center;
+  cursor: pointer;
+  box-sizing: border-box;
+  color: var(--jp-ui-font-color1);
+
+  /* height - 2 * (padding of wrapper) */
+  line-height: calc(var(--jp-private-document-search-button-height) - 2px);
+  width: 100%;
+  height: 100%;
 }
-/* ...or leave it untouched if they don't */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-dark-background {
+
+.jp-DocumentSearch-replace-button:focus {
+  outline: none;
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-light-background {
+
+.jp-DocumentSearch-replace-wrapper-class {
+  margin-left: 14px;
+  display: flex;
 }
 
-.jp-RenderedHTMLCommon img,
-.jp-RenderedImage img,
-.jp-RenderedHTMLCommon svg,
-.jp-RenderedSVG svg {
-  max-width: 100%;
-  height: auto;
+.jp-DocumentSearch-replace-toggle {
+  border: none;
+  background-color: var(--jp-toolbar-background);
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-RenderedHTMLCommon img.jp-mod-unconfined,
-.jp-RenderedImage img.jp-mod-unconfined,
-.jp-RenderedHTMLCommon svg.jp-mod-unconfined,
-.jp-RenderedSVG svg.jp-mod-unconfined {
-  max-width: none;
+.jp-DocumentSearch-replace-toggle:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon .alert {
-  padding: var(--jp-notebook-padding);
-  border: var(--jp-border-width) solid transparent;
-  border-radius: var(--jp-border-radius);
-  margin-bottom: 1em;
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.cm-editor {
+  line-height: var(--jp-code-line-height);
+  font-size: var(--jp-code-font-size);
+  font-family: var(--jp-code-font-family);
+  border: 0;
+  border-radius: 0;
+  height: auto;
+
+  /* Changed to auto to autogrow */
 }
 
-.jp-RenderedHTMLCommon .alert-info {
-  color: var(--jp-info-color0);
-  background-color: var(--jp-info-color3);
-  border-color: var(--jp-info-color2);
+.cm-editor pre {
+  padding: 0 var(--jp-code-padding);
 }
-.jp-RenderedHTMLCommon .alert-info hr {
-  border-color: var(--jp-info-color3);
+
+.jp-CodeMirrorEditor[data-type='inline'] .cm-dialog {
+  background-color: var(--jp-layout-color0);
+  color: var(--jp-content-font-color1);
 }
-.jp-RenderedHTMLCommon .alert-info > p:last-child,
-.jp-RenderedHTMLCommon .alert-info > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CodeMirrorEditor {
+  cursor: text;
 }
 
-.jp-RenderedHTMLCommon .alert-warning {
-  color: var(--jp-warn-color0);
-  background-color: var(--jp-warn-color3);
-  border-color: var(--jp-warn-color2);
+/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
+@media screen and (min-width: 2138px) and (max-width: 4319px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width1) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning hr {
-  border-color: var(--jp-warn-color3);
+
+/* When zoomed out less than 33% */
+@media screen and (min-width: 4320px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width2) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning > p:last-child,
-.jp-RenderedHTMLCommon .alert-warning > ul:last-child {
-  margin-bottom: 0;
+
+.cm-editor.jp-mod-readOnly .cm-cursor {
+  display: none;
 }
 
-.jp-RenderedHTMLCommon .alert-success {
-  color: var(--jp-success-color0);
-  background-color: var(--jp-success-color3);
-  border-color: var(--jp-success-color2);
+.jp-CollaboratorCursor {
+  border-left: 5px solid transparent;
+  border-right: 5px solid transparent;
+  border-top: none;
+  border-bottom: 3px solid;
+  background-clip: content-box;
+  margin-left: -5px;
+  margin-right: -5px;
 }
-.jp-RenderedHTMLCommon .alert-success hr {
-  border-color: var(--jp-success-color3);
+
+.cm-searching,
+.cm-searching span {
+  /* `.cm-searching span`: we need to override syntax highlighting */
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success > p:last-child,
-.jp-RenderedHTMLCommon .alert-success > ul:last-child {
-  margin-bottom: 0;
+
+.cm-searching::selection,
+.cm-searching span::selection {
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
 
-.jp-RenderedHTMLCommon .alert-danger {
-  color: var(--jp-error-color0);
-  background-color: var(--jp-error-color3);
-  border-color: var(--jp-error-color2);
+.jp-current-match > .cm-searching,
+.jp-current-match > .cm-searching span,
+.cm-searching > .jp-current-match,
+.cm-searching > .jp-current-match span {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger hr {
-  border-color: var(--jp-error-color3);
+
+.jp-current-match > .cm-searching::selection,
+.cm-searching > .jp-current-match::selection,
+.jp-current-match > .cm-searching span::selection {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger > p:last-child,
-.jp-RenderedHTMLCommon .alert-danger > ul:last-child {
-  margin-bottom: 0;
+
+.cm-trailingspace {
+  background-image: url(data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAFCAYAAAB4ka1VAAAAsElEQVQIHQGlAFr/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA7+r3zKmT0/+pk9P/7+r3zAAAAAAAAAAABAAAAAAAAAAA6OPzM+/q9wAAAAAA6OPzMwAAAAAAAAAAAgAAAAAAAAAAGR8NiRQaCgAZIA0AGR8NiQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQyoYJ/SY80UAAAAASUVORK5CYII=);
+  background-position: center left;
+  background-repeat: repeat-x;
 }
 
-.jp-RenderedHTMLCommon blockquote {
-  margin: 1em 2em;
-  padding: 0 1em;
-  border-left: 5px solid var(--jp-border-color2);
+.jp-CollaboratorCursor-hover {
+  position: absolute;
+  z-index: 1;
+  transform: translateX(-50%);
+  color: white;
+  border-radius: 3px;
+  padding-left: 4px;
+  padding-right: 4px;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  text-align: center;
+  font-size: var(--jp-ui-font-size1);
+  white-space: nowrap;
 }
 
-a.jp-InternalAnchorLink {
-  visibility: hidden;
-  margin-left: 8px;
-  color: var(--md-blue-800);
+.jp-CodeMirror-ruler {
+  border-left: 1px dashed var(--jp-border-color2);
 }
 
-h1:hover .jp-InternalAnchorLink,
-h2:hover .jp-InternalAnchorLink,
-h3:hover .jp-InternalAnchorLink,
-h4:hover .jp-InternalAnchorLink,
-h5:hover .jp-InternalAnchorLink,
-h6:hover .jp-InternalAnchorLink {
-  visibility: visible;
+/* Styles for shared cursors (remote cursor locations and selected ranges) */
+.jp-CodeMirrorEditor .cm-ySelectionCaret {
+  position: relative;
+  border-left: 1px solid black;
+  margin-left: -1px;
+  margin-right: -1px;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon kbd {
-  background-color: var(--jp-rendermime-table-row-background);
-  border: 1px solid var(--jp-border-color0);
-  border-bottom-color: var(--jp-border-color2);
-  border-radius: 3px;
-  box-shadow: inset 0 -1px 0 rgba(0, 0, 0, 0.25);
-  display: inline-block;
-  font-size: 0.8em;
-  line-height: 1em;
-  padding: 0.2em 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionCaret > .cm-ySelectionInfo {
+  white-space: nowrap;
+  position: absolute;
+  top: -1.15em;
+  padding-bottom: 0.05em;
+  left: -1px;
+  font-size: 0.95em;
+  font-family: var(--jp-ui-font-family);
+  font-weight: bold;
+  line-height: normal;
+  user-select: none;
+  color: white;
+  padding-left: 2px;
+  padding-right: 2px;
+  z-index: 101;
+  transition: opacity 0.3s ease-in-out;
 }
 
-/* Most direct children of .jp-RenderedHTMLCommon have a margin-bottom of 1.0.
- * At the bottom of cells this is a bit too much as there is also spacing
- * between cells. Going all the way to 0 gets too tight between markdown and
- * code cells.
- */
-.jp-RenderedHTMLCommon > *:last-child {
-  margin-bottom: 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionInfo {
+  transition-delay: 0.7s;
+  opacity: 0;
+}
+
+.jp-CodeMirrorEditor .cm-ySelectionCaret:hover > .cm-ySelectionInfo {
+  opacity: 1;
+  transition-delay: 0s;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12474,31 +4978,36 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser {
+.jp-FileBrowser .jp-SidePanel-content {
   display: flex;
   flex-direction: column;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
 }
 
 .jp-FileBrowser-toolbar.jp-Toolbar {
+  flex-wrap: wrap;
+  row-gap: 12px;
   border-bottom: none;
   height: auto;
-  margin: var(--jp-toolbar-header-margin);
+  margin: 8px 12px 0;
   box-shadow: none;
+  padding: 0;
+  justify-content: flex-start;
+}
+
+.jp-FileBrowser-Panel {
+  flex: 1 1 auto;
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-BreadCrumbs {
   flex: 0 0 auto;
-  margin: 8px 12px 8px 12px;
+  margin: 8px 12px;
 }
 
 .jp-BreadCrumbs-item {
-  margin: 0px 2px;
-  padding: 0px 2px;
+  margin: 0 2px;
+  padding: 0 2px;
   border-radius: var(--jp-border-radius);
   cursor: pointer;
 }
@@ -12508,7 +5017,7 @@
 }
 
 .jp-BreadCrumbs-item:first-child {
-  margin-left: 0px;
+  margin-left: 0;
 }
 
 .jp-BreadCrumbs-item.jp-mod-dropTarget {
@@ -12520,45 +5029,24 @@
 | Buttons
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  padding: 0px;
-  margin: 8px 12px 0px 12px;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  justify-content: flex-start;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-Toolbar-item {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item {
   flex: 0 0 auto;
-  padding-left: 0px;
+  padding-left: 0;
   padding-right: 2px;
+  align-items: center;
+  height: unset;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-ToolbarButtonComponent {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item .jp-ToolbarButtonComponent {
   width: 40px;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent {
-  width: 72px;
-  background: var(--jp-brand-color1);
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent
-  .jp-icon3 {
-  fill: white;
-}
-
 /*-----------------------------------------------------------------------------
 | Other styles
 |----------------------------------------------------------------------------*/
 
 .jp-FileDialog.jp-mod-conflict input {
-  color: red;
+  color: var(--jp-error-color1);
 }
 
 .jp-FileDialog .jp-new-name-title {
@@ -12569,10 +5057,12 @@
   display: none;
 }
 
-.jp-FileBrowser-filterBox {
-  padding: 0px;
-  flex: 0 0 auto;
-  margin: 8px 12px 0px 12px;
+.jp-FileSize-hidden {
+  display: none;
+}
+
+.jp-FileBrowser .lm-AccordionPanel > h3:first-child {
+  display: none;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12590,6 +5080,7 @@
   flex: 0 0 auto;
   display: flex;
   flex-direction: row;
+  align-items: center;
   overflow: hidden;
   border-top: var(--jp-border-width) solid var(--jp-border-color2);
   border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
@@ -12598,7 +5089,7 @@
 }
 
 .jp-DirListing-headerItem {
-  padding: 4px 12px 2px 12px;
+  padding: 4px 12px 2px;
   font-weight: 500;
 }
 
@@ -12616,10 +5107,16 @@
   text-align: right;
 }
 
+.jp-DirListing-headerItem.jp-id-filesize {
+  flex: 0 0 75px;
+  border-left: var(--jp-border-width) solid var(--jp-border-color2);
+  text-align: right;
+}
+
 .jp-id-narrow {
   display: none;
   flex: 0 0 5px;
-  padding: 4px 4px;
+  padding: 4px;
   border-left: var(--jp-border-width) solid var(--jp-border-color2);
   text-align: right;
   color: var(--jp-border-color2);
@@ -12654,6 +5151,10 @@
   font-weight: bold;
 }
 
+.jp-DirListing-content .jp-DirListing-item.jp-mod-selected mark {
+  color: var(--jp-ui-inverse-font-color0);
+}
+
 /* Style the directory listing content when a user drops a file to upload */
 .jp-DirListing.jp-mod-native-drop .jp-DirListing-content {
   outline: 5px dashed rgba(128, 128, 128, 0.5);
@@ -12664,6 +5165,7 @@
 .jp-DirListing-item {
   display: flex;
   flex-direction: row;
+  align-items: center;
   padding: 4px 12px;
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12671,12 +5173,46 @@
   user-select: none;
 }
 
+.jp-DirListing-checkboxWrapper {
+  /* Increases hit area of checkbox. */
+  padding: 4px;
+}
+
+.jp-DirListing-header
+  .jp-DirListing-checkboxWrapper
+  + .jp-DirListing-headerItem {
+  padding-left: 4px;
+}
+
+.jp-DirListing-content .jp-DirListing-checkboxWrapper {
+  position: relative;
+  left: -4px;
+  margin: -4px 0 -4px -8px;
+}
+
+.jp-DirListing-checkboxWrapper.jp-mod-visible {
+  visibility: visible;
+}
+
+/* For devices that support hovering, hide checkboxes until hovered, selected...
+*/
+@media (hover: hover) {
+  .jp-DirListing-checkboxWrapper {
+    visibility: hidden;
+  }
+
+  .jp-DirListing-item:hover .jp-DirListing-checkboxWrapper,
+  .jp-DirListing-item.jp-mod-selected .jp-DirListing-checkboxWrapper {
+    visibility: visible;
+  }
+}
+
 .jp-DirListing-item[data-is-dot] {
   opacity: 75%;
 }
 
 .jp-DirListing-item.jp-mod-selected {
-  color: white;
+  color: var(--jp-ui-inverse-font-color1);
   background: var(--jp-brand-color1);
 }
 
@@ -12701,25 +5237,48 @@
   user-select: none;
 }
 
+.jp-DirListing-itemText:focus {
+  outline-width: 2px;
+  outline-color: var(--jp-inverse-layout-color1);
+  outline-style: solid;
+  outline-offset: 1px;
+}
+
+.jp-DirListing-item.jp-mod-selected .jp-DirListing-itemText:focus {
+  outline-color: var(--jp-layout-color1);
+}
+
 .jp-DirListing-itemModified {
   flex: 0 0 125px;
   text-align: right;
 }
 
+.jp-DirListing-itemFileSize {
+  flex: 0 0 90px;
+  text-align: right;
+}
+
 .jp-DirListing-editor {
   flex: 1 0 64px;
   outline: none;
   border: none;
+  color: var(--jp-ui-font-color1);
+  background-color: var(--jp-layout-color1);
 }
 
-.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon:before {
-  color: limegreen;
+.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon::before {
+  color: var(--jp-success-color1);
   content: '\25CF';
   font-size: 8px;
   position: absolute;
   left: -8px;
 }
 
+.jp-DirListing-item.jp-mod-running.jp-mod-selected
+  .jp-DirListing-itemIcon::before {
+  color: var(--jp-ui-inverse-font-color1);
+}
+
 .jp-DirListing-item.lm-mod-drag-image,
 .jp-DirListing-item.jp-mod-selected.lm-mod-drag-image {
   font-size: var(--jp-ui-font-size1);
@@ -12728,20 +5287,11 @@
   width: 160px;
   background-color: var(--jp-ui-inverse-font-color2);
   box-shadow: var(--jp-elevation-z2);
-  border-radius: 0px;
+  border-radius: 0;
   color: var(--jp-ui-font-color1);
   transform: translateX(-40%) translateY(-58%);
 }
 
-.jp-DirListing-deadSpace {
-  flex: 1 1 auto;
-  margin: 0;
-  padding: 0;
-  list-style-type: none;
-  overflow: auto;
-  background-color: var(--jp-layout-color1);
-}
-
 .jp-Document {
   min-width: 120px;
   min-height: 120px;
@@ -12753,13 +5303,6 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/*-----------------------------------------------------------------------------
-| Private CSS variables
-|----------------------------------------------------------------------------*/
-
-:root {
-}
-
 /*-----------------------------------------------------------------------------
 | Main OutputArea
 | OutputArea has a list of Outputs
@@ -12770,12 +5313,14 @@
 }
 
 .jp-OutputArea-child {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+  overflow: hidden;
 }
 
 .jp-OutputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-outprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -12784,11 +5329,13 @@
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
   opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12796,7 +5343,14 @@
   user-select: none;
 }
 
+.jp-OutputArea-prompt {
+  display: table-cell;
+  vertical-align: top;
+}
+
 .jp-OutputArea-output {
+  display: table-cell;
+  width: 100%;
   height: auto;
   overflow: auto;
   user-select: text;
@@ -12805,9 +5359,30 @@
   -ms-user-select: text;
 }
 
-.jp-OutputArea-child .jp-OutputArea-output {
-  flex-grow: 1;
-  flex-shrink: 1;
+.jp-OutputArea .jp-RenderedText {
+  padding-left: 1ch;
+}
+
+/**
+ * Prompt overlay.
+ */
+
+.jp-OutputArea-promptOverlay {
+  position: absolute;
+  top: 0;
+  width: var(--jp-cell-prompt-width);
+  height: 100%;
+  opacity: 0.5;
+}
+
+.jp-OutputArea-promptOverlay:hover {
+  background: var(--jp-layout-color2);
+  box-shadow: inset 0 0 1px var(--jp-inverse-layout-color0);
+  cursor: zoom-out;
+}
+
+.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay:hover {
+  cursor: zoom-in;
 }
 
 /**
@@ -12819,7 +5394,7 @@
 }
 
 /*
-When drag events occur, `p-mod-override-cursor` is added to the body.
+When drag events occur, `lm-mod-override-cursor` is added to the body.
 Because iframes steal all cursor events, the following two rules are necessary
 to suppress pointer events while resize drags are occurring. There may be a
 better solution to this problem.
@@ -12828,7 +5403,7 @@
   position: relative;
 }
 
-body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated:before {
+body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated::before {
   content: '';
   position: absolute;
   top: 0;
@@ -12842,8 +5417,8 @@
 
 .jp-OutputArea-output pre {
   border: none;
-  margin: 0px;
-  padding: 0px;
+  margin: 0;
+  padding: 0;
   overflow-x: auto;
   overflow-y: auto;
   word-break: break-all;
@@ -12881,86 +5456,257 @@
   margin: 0;
 }
 
-.jp-OutputArea-output dd {
-  float: left;
-  width: 80%;
-  padding: 0;
-  margin: 0;
+.jp-OutputArea-output dd {
+  float: left;
+  width: 80%;
+  padding: 0;
+  margin: 0;
+}
+
+.jp-TrimmedOutputs pre {
+  background: var(--jp-layout-color3);
+  font-size: calc(var(--jp-code-font-size) * 1.4);
+  text-align: center;
+  text-transform: uppercase;
+}
+
+/* Hide the gutter in case of
+ *  - nested output areas (e.g. in the case of output widgets)
+ *  - mirrored output areas
+ */
+.jp-OutputArea .jp-OutputArea .jp-OutputArea-prompt {
+  display: none;
+}
+
+/* Hide empty lines in the output area, for instance due to cleared widgets */
+.jp-OutputArea-prompt:empty {
+  padding: 0;
+  border: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| executeResult is added to any Output-result for the display of the object
+| returned by a cell
+|----------------------------------------------------------------------------*/
+
+.jp-OutputArea-output.jp-OutputArea-executeResult {
+  margin-left: 0;
+  width: 100%;
+}
+
+/* Text output with the Out[] prompt needs a top padding to match the
+ * alignment of the Out[] prompt itself.
+ */
+.jp-OutputArea-executeResult .jp-RenderedText.jp-OutputArea-output {
+  padding-top: var(--jp-code-padding);
+  border-top: var(--jp-border-width) solid transparent;
+}
+
+/*-----------------------------------------------------------------------------
+| The Stdin output
+|----------------------------------------------------------------------------*/
+
+.jp-Stdin-prompt {
+  color: var(--jp-content-font-color0);
+  padding-right: var(--jp-code-padding);
+  vertical-align: baseline;
+  flex: 0 0 auto;
+}
+
+.jp-Stdin-input {
+  font-family: var(--jp-code-font-family);
+  font-size: inherit;
+  color: inherit;
+  background-color: inherit;
+  width: 42%;
+  min-width: 200px;
+
+  /* make sure input baseline aligns with prompt */
+  vertical-align: baseline;
+
+  /* padding + margin = 0.5em between prompt and cursor */
+  padding: 0 0.25em;
+  margin: 0 0.25em;
+  flex: 0 0 70%;
+}
+
+.jp-Stdin-input::placeholder {
+  opacity: 0;
+}
+
+.jp-Stdin-input:focus {
+  box-shadow: none;
+}
+
+.jp-Stdin-input:focus::placeholder {
+  opacity: 1;
+}
+
+/*-----------------------------------------------------------------------------
+| Output Area View
+|----------------------------------------------------------------------------*/
+
+.jp-LinkedOutputView .jp-OutputArea {
+  height: 100%;
+  display: block;
+}
+
+.jp-LinkedOutputView .jp-OutputArea-output:only-child {
+  height: 100%;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+@media print {
+  .jp-OutputArea-child {
+    break-inside: avoid-page;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-OutputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+
+  .jp-OutputArea-child .jp-OutputArea-output {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+}
+
+/* Trimmed outputs warning */
+.jp-TrimmedOutputs > a {
+  margin: 10px;
+  text-decoration: none;
+  cursor: pointer;
+}
+
+.jp-TrimmedOutputs > a:hover {
+  text-decoration: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Table of Contents
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-toc-active-width: 4px;
+}
+
+.jp-TableOfContents {
+  display: flex;
+  flex-direction: column;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  height: 100%;
+}
+
+.jp-TableOfContents-placeholder {
+  text-align: center;
+}
+
+.jp-TableOfContents-placeholderContent {
+  color: var(--jp-content-font-color2);
+  padding: 8px;
+}
+
+.jp-TableOfContents-placeholderContent > h3 {
+  margin-bottom: var(--jp-content-heading-margin-bottom);
+}
+
+.jp-TableOfContents .jp-SidePanel-content {
+  overflow-y: auto;
 }
 
-/* Hide the gutter in case of
- *  - nested output areas (e.g. in the case of output widgets)
- *  - mirrored output areas
- */
-.jp-OutputArea .jp-OutputArea .jp-OutputArea-prompt {
-  display: none;
+.jp-TableOfContents-tree {
+  margin: 4px;
 }
 
-/*-----------------------------------------------------------------------------
-| executeResult is added to any Output-result for the display of the object
-| returned by a cell
-|----------------------------------------------------------------------------*/
+.jp-TableOfContents ol {
+  list-style-type: none;
+}
 
-.jp-OutputArea-output.jp-OutputArea-executeResult {
-  margin-left: 0px;
-  flex: 1 1 auto;
+/* stylelint-disable-next-line selector-max-type */
+.jp-TableOfContents li > ol {
+  /* Align left border with triangle icon center */
+  padding-left: 11px;
 }
 
-/* Text output with the Out[] prompt needs a top padding to match the
- * alignment of the Out[] prompt itself.
- */
-.jp-OutputArea-executeResult .jp-RenderedText.jp-OutputArea-output {
-  padding-top: var(--jp-code-padding);
-  border-top: var(--jp-border-width) solid transparent;
+.jp-TableOfContents-content {
+  /* left margin for the active heading indicator */
+  margin: 0 0 0 var(--jp-private-toc-active-width);
+  padding: 0;
+  background-color: var(--jp-layout-color1);
 }
 
-/*-----------------------------------------------------------------------------
-| The Stdin output
-|----------------------------------------------------------------------------*/
+.jp-tocItem {
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
 
-.jp-OutputArea-stdin {
-  line-height: var(--jp-code-line-height);
-  padding-top: var(--jp-code-padding);
+.jp-tocItem-heading {
   display: flex;
+  cursor: pointer;
 }
 
-.jp-Stdin-prompt {
-  color: var(--jp-content-font-color0);
-  padding-right: var(--jp-code-padding);
-  vertical-align: baseline;
-  flex: 0 0 auto;
+.jp-tocItem-heading:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-Stdin-input {
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  color: inherit;
-  background-color: inherit;
-  width: 42%;
-  min-width: 200px;
-  /* make sure input baseline aligns with prompt */
-  vertical-align: baseline;
-  /* padding + margin = 0.5em between prompt and cursor */
-  padding: 0em 0.25em;
-  margin: 0em 0.25em;
-  flex: 0 0 70%;
+.jp-tocItem-content {
+  display: block;
+  padding: 4px 0;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  overflow-x: hidden;
 }
 
-.jp-Stdin-input:focus {
-  box-shadow: none;
+.jp-tocItem-collapser {
+  height: 20px;
+  margin: 2px 2px 0;
+  padding: 0;
+  background: none;
+  border: none;
+  cursor: pointer;
 }
 
-/*-----------------------------------------------------------------------------
-| Output Area View
-|----------------------------------------------------------------------------*/
+.jp-tocItem-collapser:hover {
+  background-color: var(--jp-layout-color3);
+}
 
-.jp-LinkedOutputView .jp-OutputArea {
-  height: 100%;
-  display: block;
+/* Active heading indicator */
+
+.jp-tocItem-heading::before {
+  content: ' ';
+  background: transparent;
+  width: var(--jp-private-toc-active-width);
+  height: 24px;
+  position: absolute;
+  left: 0;
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-LinkedOutputView .jp-OutputArea-output:only-child {
-  height: 100%;
+.jp-tocItem-heading.jp-tocItem-active::before {
+  background-color: var(--jp-brand-color1);
+}
+
+.jp-tocItem-heading:hover.jp-tocItem-active::before {
+  background: var(--jp-brand-color0);
+  opacity: 1;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12970,8 +5716,8 @@
 
 .jp-Collapser {
   flex: 0 0 var(--jp-cell-collapser-width);
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -12983,10 +5729,27 @@
   display: block;
   width: 100%;
   box-sizing: border-box;
+
   /* height: 100% doesn't work because the height of its parent is computed from content */
   position: absolute;
-  top: 0px;
-  bottom: 0px;
+  top: 0;
+  bottom: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Hiding collapsers in print mode.
+
+Note: input and output wrappers have "display: block" propery in print mode.
+*/
+
+@media print {
+  .jp-Collapser {
+    display: none;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13001,10 +5764,10 @@
 /* Hidden by zero height by default */
 .jp-CellHeader,
 .jp-CellFooter {
-  height: 0px;
+  height: 0;
   width: 100%;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13021,25 +5784,27 @@
 
 /* All input areas */
 .jp-InputArea {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
   overflow: hidden;
 }
 
 .jp-InputArea-editor {
-  flex: 1 1 auto;
+  display: table-cell;
   overflow: hidden;
-}
+  vertical-align: top;
 
-.jp-InputArea-editor {
   /* This is the non-active, default styling */
   border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
-  border-radius: 0px;
+  border-radius: 0;
   background: var(--jp-cell-editor-background);
 }
 
 .jp-InputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  display: table-cell;
+  vertical-align: top;
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-inprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -13048,12 +5813,13 @@
   line-height: var(--jp-code-line-height);
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
-  opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -13061,6 +5827,21 @@
   user-select: none;
 }
 
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-InputArea-editor {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+
+  .jp-InputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13071,21 +5852,33 @@
 |----------------------------------------------------------------------------*/
 
 .jp-Placeholder {
-  display: flex;
-  flex-direction: row;
-  flex: 1 1 auto;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
 }
 
 .jp-Placeholder-prompt {
+  display: table-cell;
   box-sizing: border-box;
 }
 
 .jp-Placeholder-content {
-  flex: 1 1 auto;
-  border: none;
-  background: transparent;
-  height: 20px;
+  display: table-cell;
+  padding: 4px 6px;
+  border: 1px solid transparent;
+  border-radius: 0;
+  background: none;
   box-sizing: border-box;
+  cursor: pointer;
+}
+
+.jp-Placeholder-contentContainer {
+  display: flex;
+}
+
+.jp-Placeholder-content:hover,
+.jp-InputPlaceholder > .jp-Placeholder-content:hover {
+  border-color: var(--jp-layout-color3);
 }
 
 .jp-Placeholder-content .jp-MoreHorizIcon {
@@ -13097,10 +5890,22 @@
 
 .jp-Placeholder-content .jp-MoreHorizIcon:hover {
   border: 1px solid var(--jp-border-color1);
-  box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.25);
+  box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.25);
   background-color: var(--jp-layout-color0);
 }
 
+.jp-PlaceholderText {
+  white-space: nowrap;
+  overflow-x: hidden;
+  color: var(--jp-inverse-layout-color3);
+  font-family: var(--jp-code-font-family);
+}
+
+.jp-InputPlaceholder > .jp-Placeholder-content {
+  border-color: var(--jp-cell-editor-border-color);
+  background: var(--jp-cell-editor-background);
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13120,7 +5925,7 @@
 
 .jp-Cell {
   padding: var(--jp-cell-padding);
-  margin: 0px;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13134,8 +5939,9 @@
 .jp-Cell-outputWrapper {
   display: flex;
   flex-direction: row;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
+
   /* Added to reveal the box-shadow on the input and output collapsers. */
   overflow: visible;
 }
@@ -13162,47 +5968,181 @@
   min-height: var(--jp-cell-collapser-min-height);
 }
 
-/*-----------------------------------------------------------------------------
-| Output
-|----------------------------------------------------------------------------*/
+/*-----------------------------------------------------------------------------
+| Output
+|----------------------------------------------------------------------------*/
+
+/* Put a space between input and output when there IS output */
+.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputWrapper {
+  margin-top: 5px;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
+  overflow-y: auto;
+  max-height: 24em;
+  margin-left: var(--jp-private-cell-scrolling-output-offset);
+  resize: vertical;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea[style*='height'] {
+  max-height: unset;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea::after {
+  content: ' ';
+  box-shadow: inset 0 0 6px 2px rgb(0 0 0 / 30%);
+  width: 100%;
+  height: 100%;
+  position: sticky;
+  bottom: 0;
+  top: 0;
+  margin-top: -50%;
+  float: left;
+  display: block;
+  pointer-events: none;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-child {
+  padding-top: 6px;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
+  width: calc(
+    var(--jp-cell-prompt-width) - var(--jp-private-cell-scrolling-output-offset)
+  );
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay {
+  left: calc(-1 * var(--jp-private-cell-scrolling-output-offset));
+}
+
+/*-----------------------------------------------------------------------------
+| CodeCell
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| MarkdownCell
+|----------------------------------------------------------------------------*/
+
+.jp-MarkdownOutput {
+  display: table-cell;
+  width: 100%;
+  margin-top: 0;
+  margin-bottom: 0;
+  padding-left: var(--jp-code-padding);
+}
+
+.jp-MarkdownOutput.jp-RenderedHTMLCommon {
+  overflow: auto;
+}
+
+/* collapseHeadingButton (show always if hiddenCellsButton is _not_ shown) */
+.jp-collapseHeadingButton {
+  display: flex;
+  min-height: var(--jp-cell-collapser-min-height);
+  font-size: var(--jp-code-font-size);
+  position: absolute;
+  background-color: transparent;
+  background-size: 25px;
+  background-repeat: no-repeat;
+  background-position-x: center;
+  background-position-y: top;
+  background-image: var(--jp-icon-caret-down);
+  right: 0;
+  top: 0;
+  bottom: 0;
+}
+
+.jp-collapseHeadingButton.jp-mod-collapsed {
+  background-image: var(--jp-icon-caret-right);
+}
+
+/*
+ set the container font size to match that of content
+ so that the nested collapse buttons have the right size
+*/
+.jp-MarkdownCell .jp-InputPrompt {
+  font-size: var(--jp-content-font-size1);
+}
+
+/*
+  Align collapseHeadingButton with cell top header
+  The font sizes are identical to the ones in packages/rendermime/style/base.css
+*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='1'] {
+  font-size: var(--jp-content-font-size5);
+  background-position-y: calc(0.3 * var(--jp-content-font-size5));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='2'] {
+  font-size: var(--jp-content-font-size4);
+  background-position-y: calc(0.3 * var(--jp-content-font-size4));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='3'] {
+  font-size: var(--jp-content-font-size3);
+  background-position-y: calc(0.3 * var(--jp-content-font-size3));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='4'] {
+  font-size: var(--jp-content-font-size2);
+  background-position-y: calc(0.3 * var(--jp-content-font-size2));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='5'] {
+  font-size: var(--jp-content-font-size1);
+  background-position-y: top;
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='6'] {
+  font-size: var(--jp-content-font-size0);
+  background-position-y: top;
+}
+
+/* collapseHeadingButton (show only on (hover,active) if hiddenCellsButton is shown) */
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-collapseHeadingButton {
+  display: none;
+}
 
-/* Put a space between input and output when there IS output */
-.jp-Cell:not(.jp-mod-noOutputs) .jp-Cell-outputWrapper {
-  margin-top: 5px;
+.jp-Notebook.jp-mod-showHiddenCellsButton
+  :is(.jp-MarkdownCell:hover, .jp-mod-active)
+  .jp-collapseHeadingButton {
+  display: flex;
 }
 
-.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
-  overflow-y: auto;
-  max-height: 200px;
-  box-shadow: inset 0 0 6px 2px rgba(0, 0, 0, 0.3);
-  margin-left: var(--jp-private-cell-scrolling-output-offset);
+/* showHiddenCellsButton (only show if jp-mod-showHiddenCellsButton is set, which
+is a consequence of the showHiddenCellsButton option in Notebook Settings)*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton {
+  margin-left: calc(var(--jp-cell-prompt-width) + 2 * var(--jp-code-padding));
+  margin-top: var(--jp-code-padding);
+  border: 1px solid var(--jp-border-color2);
+  background-color: var(--jp-border-color3) !important;
+  color: var(--jp-content-font-color0) !important;
+  display: flex;
 }
 
-.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
-  flex: 0 0
-    calc(
-      var(--jp-cell-prompt-width) -
-        var(--jp-private-cell-scrolling-output-offset)
-    );
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton:hover {
+  background-color: var(--jp-border-color2) !important;
 }
 
-/*-----------------------------------------------------------------------------
-| CodeCell
-|----------------------------------------------------------------------------*/
+.jp-showHiddenCellsButton {
+  display: none;
+}
 
 /*-----------------------------------------------------------------------------
-| MarkdownCell
+| Printing
 |----------------------------------------------------------------------------*/
 
-.jp-MarkdownOutput {
-  flex: 1 1 auto;
-  margin-top: 0;
-  margin-bottom: 0;
-  padding-left: var(--jp-code-padding);
-}
+/*
+Using block instead of flex to allow the use of the break-inside CSS property for
+cell outputs.
+*/
 
-.jp-MarkdownOutput.jp-RenderedHTMLCommon {
-  overflow: auto;
+@media print {
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13219,6 +6159,10 @@
 | Variables
 |----------------------------------------------------------------------------*/
 
+:root {
+  --jp-notebook-toolbar-padding: 2px 5px 2px 2px;
+}
+
 /*-----------------------------------------------------------------------------
 
 /*-----------------------------------------------------------------------------
@@ -13226,7 +6170,10 @@
 |----------------------------------------------------------------------------*/
 
 .jp-NotebookPanel-toolbar {
-  padding: 2px;
+  padding: var(--jp-notebook-toolbar-padding);
+
+  /* disable paint containment from lumino 2.0 default strict CSS containment */
+  contain: style size !important;
 }
 
 .jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
@@ -13246,30 +6193,199 @@
   top: 5px !important;
 }
 
+.jp-Toolbar-responsive-popup {
+  position: absolute;
+  height: fit-content;
+  display: flex;
+  flex-direction: row;
+  flex-wrap: wrap;
+  justify-content: flex-end;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: var(--jp-notebook-toolbar-padding);
+  z-index: 1;
+  right: 0;
+  top: 0;
+}
+
+.jp-Toolbar > .jp-Toolbar-responsive-opener {
+  margin-left: auto;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Private CSS variables
+| Variables
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-Notebook-ExecutionIndicator {
+  position: relative;
+  display: inline-block;
+  height: 100%;
+  z-index: 9997;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: hidden;
+  height: auto;
+  width: max-content;
+  width: -moz-max-content;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color1);
+  text-align: justify;
+  border-radius: 6px;
+  padding: 0 5px;
+  position: fixed;
+  display: table;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.up {
+  transform: translateX(-50%) translateY(-100%) translateY(-32px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.down {
+  transform: translateX(calc(-100% + 16px)) translateY(5px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.hidden {
+  display: none;
+}
+
+.jp-Notebook-ExecutionIndicator:hover .jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: visible;
+}
+
+.jp-Notebook-ExecutionIndicator span {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  color: var(--jp-ui-font-color1);
+  line-height: 24px;
+  display: block;
+}
+
+.jp-Notebook-ExecutionIndicator-progress-bar {
+  display: flex;
+  justify-content: center;
+  height: 100%;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+/*
+ * Execution indicator
+ */
+.jp-tocItem-content::after {
+  content: '';
+
+  /* Must be identical to form a circle */
+  width: 12px;
+  height: 12px;
+  background: none;
+  border: none;
+  position: absolute;
+  right: 0;
+}
+
+.jp-tocItem-content[data-running='0']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background: none;
+}
+
+.jp-tocItem-content[data-running='1']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background-color: var(--jp-inverse-layout-color3);
+}
+
+.jp-tocItem-content[data-running='0'],
+.jp-tocItem-content[data-running='1'] {
+  margin-right: 12px;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-Notebook-footer {
+  height: 27px;
+  margin-left: calc(
+    var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+      var(--jp-cell-padding)
+  );
+  width: calc(
+    100% -
+      (
+        var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+          var(--jp-cell-padding) + var(--jp-cell-padding)
+      )
+  );
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  color: var(--jp-ui-font-color3);
+  margin-top: 6px;
+  background: none;
+  cursor: pointer;
+}
+
+.jp-Notebook-footer:focus {
+  border-color: var(--jp-cell-editor-active-border-color);
+}
+
+/* For devices that support hovering, hide footer until hover */
+@media (hover: hover) {
+  .jp-Notebook-footer {
+    opacity: 0;
+  }
+
+  .jp-Notebook-footer:focus,
+  .jp-Notebook-footer:hover {
+    opacity: 1;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Imports
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| CSS variables
 |----------------------------------------------------------------------------*/
 
 :root {
+  --jp-side-by-side-output-size: 1fr;
+  --jp-side-by-side-resized-cell: var(--jp-side-by-side-output-size);
   --jp-private-notebook-dragImage-width: 304px;
   --jp-private-notebook-dragImage-height: 36px;
   --jp-private-notebook-selected-color: var(--md-blue-400);
   --jp-private-notebook-active-color: var(--md-green-400);
 }
 
-/*-----------------------------------------------------------------------------
-| Imports
-|----------------------------------------------------------------------------*/
-
 /*-----------------------------------------------------------------------------
 | Notebook
 |----------------------------------------------------------------------------*/
 
+/* stylelint-disable selector-max-class */
+
 .jp-NotebookPanel {
   display: block;
   height: 100%;
@@ -13293,6 +6409,10 @@
   min-height: var(--jp-notebook-scroll-padding);
 }
 
+.jp-MainAreaWidget-ContainStrict .jp-Notebook * {
+  contain: strict;
+}
+
 .jp-Notebook .jp-Cell {
   overflow: visible;
 }
@@ -13334,6 +6454,20 @@
   background: var(--jp-brand-color1);
 }
 
+/* cell is dirty */
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt {
+  color: var(--jp-warn-color1);
+}
+
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt::before {
+  color: var(--jp-warn-color1);
+  content: '•';
+}
+
+.jp-Notebook .jp-Cell.jp-mod-active.jp-mod-dirty .jp-Collapser {
+  background: var(--jp-warn-color1);
+}
+
 /* collapser is hovered */
 .jp-Notebook .jp-Cell .jp-Collapser:hover {
   box-shadow: var(--jp-elevation-z2);
@@ -13383,7 +6517,7 @@
 }
 
 .jp-dragImage {
-  display: flex;
+  display: block;
   flex-direction: row;
   width: var(--jp-private-notebook-dragImage-width);
   height: var(--jp-private-notebook-dragImage-height);
@@ -13393,7 +6527,7 @@
 }
 
 .jp-dragImage-singlePrompt {
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 .jp-dragImage .jp-dragImage-content {
@@ -13407,7 +6541,7 @@
   background: var(--jp-cell-editor-background-color);
   color: var(--jp-content-font-color3);
   text-align: left;
-  margin: 4px 4px 4px 0px;
+  margin: 4px 4px 4px 0;
 }
 
 .jp-dragImage .jp-dragImage-prompt {
@@ -13432,7 +6566,7 @@
   left: 8px;
   background: var(--jp-layout-color2);
   border: var(--jp-border-width) solid var(--jp-input-border-color);
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 /*-----------------------------------------------------------------------------
@@ -13441,86 +6575,247 @@
 
 .jp-NotebookTools {
   display: block;
-  min-width: var(--jp-sidebar-min-width);
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-    * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-  overflow: auto;
+  min-width: var(--jp-sidebar-min-width);
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+    * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  overflow: auto;
+}
+
+.jp-ActiveCellTool {
+  padding: 12px 0;
+  display: flex;
+}
+
+.jp-ActiveCellTool-Content {
+  flex: 1 1 auto;
+}
+
+.jp-ActiveCellTool .jp-ActiveCellTool-CellContent {
+  background: var(--jp-cell-editor-background);
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  border-radius: 0;
+  min-height: 29px;
+}
+
+.jp-ActiveCellTool .jp-InputPrompt {
+  min-width: calc(var(--jp-cell-prompt-width) * 0.75);
+}
+
+.jp-ActiveCellTool-CellContent > pre {
+  padding: 5px 4px;
+  margin: 0;
+  white-space: normal;
+}
+
+.jp-MetadataEditorTool {
+  flex-direction: column;
+  padding: 12px 0;
+}
+
+.jp-RankedPanel > :not(:first-child) {
+  margin-top: 12px;
+}
+
+.jp-KeySelector select.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+}
+
+.jp-KeySelector label,
+.jp-MetadataEditorTool label,
+.jp-NumberSetter label {
+  line-height: 1.4;
+}
+
+.jp-NotebookTools .jp-select-wrapper {
+  margin-top: 4px;
+  margin-bottom: 0;
+}
+
+.jp-NumberSetter input {
+  width: 100%;
+  margin-top: 4px;
+}
+
+.jp-NotebookTools .jp-Collapse {
+  margin-top: 16px;
+}
+
+/*-----------------------------------------------------------------------------
+| Presentation Mode (.jp-mod-presentationMode)
+|----------------------------------------------------------------------------*/
+
+.jp-mod-presentationMode .jp-Notebook {
+  --jp-content-font-size1: var(--jp-content-presentation-font-size1);
+  --jp-code-font-size: var(--jp-code-presentation-font-size);
+}
+
+.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-InputPrompt,
+.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-OutputPrompt {
+  flex: 0 0 110px;
+}
+
+/*-----------------------------------------------------------------------------
+| Side-by-side Mode (.jp-mod-sideBySide)
+|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-Notebook-cell {
+  margin-top: 3em;
+  margin-bottom: 3em;
+  margin-left: 5%;
+  margin-right: 5%;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell {
+  display: grid;
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-output-size)
+    );
+  grid-template-rows: auto minmax(0, 1fr) auto;
+  grid-template-areas:
+    'header header header'
+    'input handle output'
+    'footer footer footer';
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell.jp-mod-resizedCell {
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-resized-cell)
+    );
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellHeader {
+  grid-area: header;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-inputWrapper {
+  grid-area: input;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-outputWrapper {
+  /* overwrite the default margin (no vertical separation needed in side by side move */
+  margin-top: 0;
+  grid-area: output;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellFooter {
+  grid-area: footer;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle {
+  grid-area: handle;
+  user-select: none;
+  display: block;
+  height: 100%;
+  cursor: ew-resize;
+  padding: 0 var(--jp-cell-padding);
 }
 
-.jp-NotebookTools-tool {
-  padding: 0px 12px 0 12px;
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle::after {
+  content: '';
+  display: block;
+  background: var(--jp-border-color2);
+  height: 100%;
+  width: 5px;
 }
 
-.jp-ActiveCellTool {
-  padding: 12px;
-  background-color: var(--jp-layout-color1);
-  border-top: none !important;
+.jp-mod-sideBySide.jp-Notebook
+  .jp-CodeCell.jp-mod-resizedCell
+  .jp-CellResizeHandle::after {
+  background: var(--jp-border-color0);
 }
 
-.jp-ActiveCellTool .jp-InputArea-prompt {
-  flex: 0 0 auto;
-  padding-left: 0px;
+.jp-CellResizeHandle {
+  display: none;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor {
-  flex: 1 1 auto;
-  background: var(--jp-cell-editor-background);
-  border-color: var(--jp-cell-editor-border-color);
+/*-----------------------------------------------------------------------------
+| Placeholder
+|----------------------------------------------------------------------------*/
+
+.jp-Cell-Placeholder {
+  padding-left: 55px;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor .CodeMirror {
-  background: transparent;
+.jp-Cell-Placeholder-wrapper {
+  background: #fff;
+  border: 1px solid;
+  border-color: #e5e6e9 #dfe0e4 #d0d1d5;
+  border-radius: 4px;
+  -webkit-border-radius: 4px;
+  margin: 10px 15px;
 }
 
-.jp-MetadataEditorTool {
-  flex-direction: column;
-  padding: 12px 0px 12px 0px;
+.jp-Cell-Placeholder-wrapper-inner {
+  padding: 15px;
+  position: relative;
 }
 
-.jp-RankedPanel > :not(:first-child) {
-  margin-top: 12px;
+.jp-Cell-Placeholder-wrapper-body {
+  background-repeat: repeat;
+  background-size: 50% auto;
 }
 
-.jp-KeySelector select.jp-mod-styled {
-  font-size: var(--jp-ui-font-size1);
-  color: var(--jp-ui-font-color0);
-  border: var(--jp-border-width) solid var(--jp-border-color1);
+.jp-Cell-Placeholder-wrapper-body div {
+  background: #f6f7f8;
+  background-image: -webkit-linear-gradient(
+    left,
+    #f6f7f8 0%,
+    #edeef1 20%,
+    #f6f7f8 40%,
+    #f6f7f8 100%
+  );
+  background-repeat: no-repeat;
+  background-size: 800px 104px;
+  height: 104px;
+  position: absolute;
+  right: 15px;
+  left: 15px;
+  top: 15px;
 }
 
-.jp-KeySelector label,
-.jp-MetadataEditorTool label {
-  line-height: 1.4;
+div.jp-Cell-Placeholder-h1 {
+  top: 20px;
+  height: 20px;
+  left: 15px;
+  width: 150px;
 }
 
-.jp-NotebookTools .jp-select-wrapper {
-  margin-top: 4px;
-  margin-bottom: 0px;
+div.jp-Cell-Placeholder-h2 {
+  left: 15px;
+  top: 50px;
+  height: 10px;
+  width: 100px;
 }
 
-.jp-NotebookTools .jp-Collapse {
-  margin-top: 16px;
+div.jp-Cell-Placeholder-content-1,
+div.jp-Cell-Placeholder-content-2,
+div.jp-Cell-Placeholder-content-3 {
+  left: 15px;
+  right: 15px;
+  height: 10px;
 }
 
-/*-----------------------------------------------------------------------------
-| Presentation Mode (.jp-mod-presentationMode)
-|----------------------------------------------------------------------------*/
+div.jp-Cell-Placeholder-content-1 {
+  top: 100px;
+}
 
-.jp-mod-presentationMode .jp-Notebook {
-  --jp-content-font-size1: var(--jp-content-presentation-font-size1);
-  --jp-code-font-size: var(--jp-code-presentation-font-size);
+div.jp-Cell-Placeholder-content-2 {
+  top: 120px;
 }
 
-.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-InputPrompt,
-.jp-mod-presentationMode .jp-Notebook .jp-Cell .jp-OutputPrompt {
-  flex: 0 0 110px;
+div.jp-Cell-Placeholder-content-3 {
+  top: 140px;
 }
 
 </style>
-
-    <style type="text/css">
+<style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13576,33 +6871,33 @@
     0.12
   );
   --jp-elevation-z0: none;
-  --jp-elevation-z1: 0px 2px 1px -1px var(--jp-shadow-umbra-color),
-    0px 1px 1px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 3px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z2: 0px 3px 1px -2px var(--jp-shadow-umbra-color),
-    0px 2px 2px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 5px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z4: 0px 2px 4px -1px var(--jp-shadow-umbra-color),
-    0px 4px 5px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 10px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z6: 0px 3px 5px -1px var(--jp-shadow-umbra-color),
-    0px 6px 10px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 18px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z8: 0px 5px 5px -3px var(--jp-shadow-umbra-color),
-    0px 8px 10px 1px var(--jp-shadow-penumbra-color),
-    0px 3px 14px 2px var(--jp-shadow-ambient-color);
-  --jp-elevation-z12: 0px 7px 8px -4px var(--jp-shadow-umbra-color),
-    0px 12px 17px 2px var(--jp-shadow-penumbra-color),
-    0px 5px 22px 4px var(--jp-shadow-ambient-color);
-  --jp-elevation-z16: 0px 8px 10px -5px var(--jp-shadow-umbra-color),
-    0px 16px 24px 2px var(--jp-shadow-penumbra-color),
-    0px 6px 30px 5px var(--jp-shadow-ambient-color);
-  --jp-elevation-z20: 0px 10px 13px -6px var(--jp-shadow-umbra-color),
-    0px 20px 31px 3px var(--jp-shadow-penumbra-color),
-    0px 8px 38px 7px var(--jp-shadow-ambient-color);
-  --jp-elevation-z24: 0px 11px 15px -7px var(--jp-shadow-umbra-color),
-    0px 24px 38px 3px var(--jp-shadow-penumbra-color),
-    0px 9px 46px 8px var(--jp-shadow-ambient-color);
+  --jp-elevation-z1: 0 2px 1px -1px var(--jp-shadow-umbra-color),
+    0 1px 1px 0 var(--jp-shadow-penumbra-color),
+    0 1px 3px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z2: 0 3px 1px -2px var(--jp-shadow-umbra-color),
+    0 2px 2px 0 var(--jp-shadow-penumbra-color),
+    0 1px 5px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z4: 0 2px 4px -1px var(--jp-shadow-umbra-color),
+    0 4px 5px 0 var(--jp-shadow-penumbra-color),
+    0 1px 10px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z6: 0 3px 5px -1px var(--jp-shadow-umbra-color),
+    0 6px 10px 0 var(--jp-shadow-penumbra-color),
+    0 1px 18px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z8: 0 5px 5px -3px var(--jp-shadow-umbra-color),
+    0 8px 10px 1px var(--jp-shadow-penumbra-color),
+    0 3px 14px 2px var(--jp-shadow-ambient-color);
+  --jp-elevation-z12: 0 7px 8px -4px var(--jp-shadow-umbra-color),
+    0 12px 17px 2px var(--jp-shadow-penumbra-color),
+    0 5px 22px 4px var(--jp-shadow-ambient-color);
+  --jp-elevation-z16: 0 8px 10px -5px var(--jp-shadow-umbra-color),
+    0 16px 24px 2px var(--jp-shadow-penumbra-color),
+    0 6px 30px 5px var(--jp-shadow-ambient-color);
+  --jp-elevation-z20: 0 10px 13px -6px var(--jp-shadow-umbra-color),
+    0 20px 31px 3px var(--jp-shadow-penumbra-color),
+    0 8px 38px 7px var(--jp-shadow-ambient-color);
+  --jp-elevation-z24: 0 11px 15px -7px var(--jp-shadow-umbra-color),
+    0 24px 38px 3px var(--jp-shadow-penumbra-color),
+    0 9px 46px 8px var(--jp-shadow-ambient-color);
 
   /* Borders
    *
@@ -13614,6 +6909,7 @@
   --jp-border-color1: var(--md-grey-400);
   --jp-border-color2: var(--md-grey-300);
   --jp-border-color3: var(--md-grey-200);
+  --jp-inverse-border-color: var(--md-grey-600);
   --jp-border-radius: 2px;
 
   /* UI Fonts
@@ -13631,9 +6927,9 @@
   --jp-ui-font-size1: 13px; /* Base font size */
   --jp-ui-font-size2: 1.2em;
   --jp-ui-font-size3: 1.44em;
-
-  --jp-ui-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', Helvetica,
-    Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji', 'Segoe UI Symbol';
+  --jp-ui-font-family: system-ui, -apple-system, blinkmacsystemfont, 'Segoe UI',
+    helvetica, arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
+    'Segoe UI Symbol';
 
   /*
    * Use these font colors against the corresponding main layout colors.
@@ -13676,7 +6972,6 @@
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
   --jp-content-presentation-font-size1: 17px;
-
   --jp-content-heading-line-height: 1;
   --jp-content-heading-margin-top: 1.2em;
   --jp-content-heading-margin-bottom: 0.8em;
@@ -13687,12 +6982,10 @@
   --jp-content-font-color1: rgba(0, 0, 0, 0.87);
   --jp-content-font-color2: rgba(0, 0, 0, 0.54);
   --jp-content-font-color3: rgba(0, 0, 0, 0.38);
-
-  --jp-content-link-color: var(--md-blue-700);
-
-  --jp-content-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI',
-    Helvetica, Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
-    'Segoe UI Symbol';
+  --jp-content-link-color: var(--md-blue-900);
+  --jp-content-font-family: system-ui, -apple-system, blinkmacsystemfont,
+    'Segoe UI', helvetica, arial, sans-serif, 'Apple Color Emoji',
+    'Segoe UI Emoji', 'Segoe UI Symbol';
 
   /*
    * Code Fonts
@@ -13703,7 +6996,7 @@
   --jp-code-font-size: 13px;
   --jp-code-line-height: 1.3077; /* 17px for 13px base */
   --jp-code-padding: 5px; /* 5px for 13px base, codemirror highlighting needs integer px value */
-  --jp-code-font-family-default: Menlo, Consolas, 'DejaVu Sans Mono', monospace;
+  --jp-code-font-family-default: menlo, consolas, 'DejaVu Sans Mono', monospace;
   --jp-code-font-family: var(--jp-code-font-family-default);
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
@@ -13732,7 +7025,7 @@
    * theme these would go from dark to light.
    */
 
-  --jp-inverse-layout-color0: #111111;
+  --jp-inverse-layout-color0: #111;
   --jp-inverse-layout-color1: var(--md-grey-900);
   --jp-inverse-layout-color2: var(--md-grey-800);
   --jp-inverse-layout-color3: var(--md-grey-700);
@@ -13740,62 +7033,57 @@
 
   /* Brand/accent */
 
-  --jp-brand-color0: var(--md-blue-700);
-  --jp-brand-color1: var(--md-blue-500);
+  --jp-brand-color0: var(--md-blue-900);
+  --jp-brand-color1: var(--md-blue-700);
   --jp-brand-color2: var(--md-blue-300);
   --jp-brand-color3: var(--md-blue-100);
   --jp-brand-color4: var(--md-blue-50);
-
-  --jp-accent-color0: var(--md-green-700);
-  --jp-accent-color1: var(--md-green-500);
+  --jp-accent-color0: var(--md-green-900);
+  --jp-accent-color1: var(--md-green-700);
   --jp-accent-color2: var(--md-green-300);
   --jp-accent-color3: var(--md-green-100);
 
   /* State colors (warn, error, success, info) */
 
-  --jp-warn-color0: var(--md-orange-700);
-  --jp-warn-color1: var(--md-orange-500);
+  --jp-warn-color0: var(--md-orange-900);
+  --jp-warn-color1: var(--md-orange-700);
   --jp-warn-color2: var(--md-orange-300);
   --jp-warn-color3: var(--md-orange-100);
-
-  --jp-error-color0: var(--md-red-700);
-  --jp-error-color1: var(--md-red-500);
+  --jp-error-color0: var(--md-red-900);
+  --jp-error-color1: var(--md-red-700);
   --jp-error-color2: var(--md-red-300);
   --jp-error-color3: var(--md-red-100);
-
-  --jp-success-color0: var(--md-green-700);
-  --jp-success-color1: var(--md-green-500);
+  --jp-success-color0: var(--md-green-900);
+  --jp-success-color1: var(--md-green-700);
   --jp-success-color2: var(--md-green-300);
   --jp-success-color3: var(--md-green-100);
-
-  --jp-info-color0: var(--md-cyan-700);
-  --jp-info-color1: var(--md-cyan-500);
+  --jp-info-color0: var(--md-cyan-900);
+  --jp-info-color1: var(--md-cyan-700);
   --jp-info-color2: var(--md-cyan-300);
   --jp-info-color3: var(--md-cyan-100);
 
   /* Cell specific styles */
 
   --jp-cell-padding: 5px;
-
   --jp-cell-collapser-width: 8px;
   --jp-cell-collapser-min-height: 20px;
   --jp-cell-collapser-not-active-hover-opacity: 0.6;
-
   --jp-cell-editor-background: var(--md-grey-100);
   --jp-cell-editor-border-color: var(--md-grey-300);
   --jp-cell-editor-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-cell-editor-active-background: var(--jp-layout-color0);
   --jp-cell-editor-active-border-color: var(--jp-brand-color1);
-
   --jp-cell-prompt-width: 64px;
   --jp-cell-prompt-font-family: var(--jp-code-font-family-default);
-  --jp-cell-prompt-letter-spacing: 0px;
+  --jp-cell-prompt-letter-spacing: 0;
   --jp-cell-prompt-opacity: 1;
   --jp-cell-prompt-not-active-opacity: 0.5;
   --jp-cell-prompt-not-active-font-color: var(--md-grey-700);
+
   /* A custom blend of MD grey and blue 600
    * See https://meyerweb.com/eric/tools/color-blend/#546E7A:1E88E5:5:hex */
   --jp-cell-inprompt-font-color: #307fc1;
+
   /* A custom blend of MD grey and orange 600
    * https://meyerweb.com/eric/tools/color-blend/#546E7A:F4511E:5:hex */
   --jp-cell-outprompt-font-color: #bf5b3d;
@@ -13836,17 +7124,21 @@
   --jp-toolbar-border-color: var(--jp-border-color1);
   --jp-toolbar-micro-height: 8px;
   --jp-toolbar-background: var(--jp-layout-color1);
-  --jp-toolbar-box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.24);
-  --jp-toolbar-header-margin: 4px 4px 0px 4px;
+  --jp-toolbar-box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.24);
+  --jp-toolbar-header-margin: 4px 4px 0 4px;
   --jp-toolbar-active-background: var(--md-grey-300);
 
+  /* Statusbar specific styles */
+
+  --jp-statusbar-height: 24px;
+
   /* Input field styles */
 
   --jp-input-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-input-active-background: var(--jp-layout-color1);
   --jp-input-hover-background: var(--jp-layout-color1);
   --jp-input-background: var(--md-grey-100);
-  --jp-input-border-color: var(--jp-border-color1);
+  --jp-input-border-color: var(--jp-inverse-border-color);
   --jp-input-active-border-color: var(--jp-brand-color1);
   --jp-input-active-box-shadow-color: rgba(19, 124, 189, 0.3);
 
@@ -13863,15 +7155,15 @@
   --jp-mirror-editor-number-color: #080;
   --jp-mirror-editor-def-color: #00f;
   --jp-mirror-editor-variable-color: var(--md-grey-900);
-  --jp-mirror-editor-variable-2-color: #05a;
+  --jp-mirror-editor-variable-2-color: rgb(0, 54, 109);
   --jp-mirror-editor-variable-3-color: #085;
   --jp-mirror-editor-punctuation-color: #05a;
   --jp-mirror-editor-property-color: #05a;
-  --jp-mirror-editor-operator-color: #aa22ff;
+  --jp-mirror-editor-operator-color: #a2f;
   --jp-mirror-editor-comment-color: #408080;
   --jp-mirror-editor-string-color: #ba2121;
   --jp-mirror-editor-string-2-color: #708;
-  --jp-mirror-editor-meta-color: #aa22ff;
+  --jp-mirror-editor-meta-color: #a2f;
   --jp-mirror-editor-qualifier-color: #555;
   --jp-mirror-editor-builtin-color: #008000;
   --jp-mirror-editor-bracket-color: #997;
@@ -13883,6 +7175,20 @@
   --jp-mirror-editor-error-color: #f00;
   --jp-mirror-editor-hr-color: #999;
 
+  /*
+    RTC user specific colors.
+    These colors are used for the cursor, username in the editor,
+    and the icon of the user.
+  */
+
+  --jp-collaborator-color1: #ffad8e;
+  --jp-collaborator-color2: #dac83d;
+  --jp-collaborator-color3: #72dd76;
+  --jp-collaborator-color4: #00e4d0;
+  --jp-collaborator-color5: #45d4ff;
+  --jp-collaborator-color6: #e2b1ff;
+  --jp-collaborator-color7: #ff9de6;
+
   /* Vega extension styles */
 
   --jp-vega-background: white;
@@ -13908,37 +7214,94 @@
   --jp-icon-contrast-color1: var(--md-green-600);
   --jp-icon-contrast-color2: var(--md-pink-600);
   --jp-icon-contrast-color3: var(--md-blue-600);
+
+  /* Button colors */
+  --jp-accept-color-normal: var(--md-blue-700);
+  --jp-accept-color-hover: var(--md-blue-800);
+  --jp-accept-color-active: var(--md-blue-900);
+  --jp-warn-color-normal: var(--md-red-700);
+  --jp-warn-color-hover: var(--md-red-800);
+  --jp-warn-color-active: var(--md-red-900);
+  --jp-reject-color-normal: var(--md-grey-600);
+  --jp-reject-color-hover: var(--md-grey-700);
+  --jp-reject-color-active: var(--md-grey-800);
+
+  /* File or activity icons and switch semantic variables */
+  --jp-jupyter-icon-color: #f37626;
+  --jp-notebook-icon-color: #f37626;
+  --jp-json-icon-color: var(--md-orange-700);
+  --jp-console-icon-background-color: var(--md-blue-700);
+  --jp-console-icon-color: white;
+  --jp-terminal-icon-background-color: var(--md-grey-800);
+  --jp-terminal-icon-color: var(--md-grey-200);
+  --jp-text-editor-icon-color: var(--md-grey-700);
+  --jp-inspector-icon-color: var(--md-grey-700);
+  --jp-switch-color: var(--md-grey-400);
+  --jp-switch-true-position-color: var(--md-orange-900);
 }
 </style>
-
 <style type="text/css">
-a.anchor-link {
-   display: none;
+/* Force rendering true colors when outputing to pdf */
+* {
+  -webkit-print-color-adjust: exact;
 }
-.highlight  {
-    margin: 0.4em;
+
+/* Misc */
+a.anchor-link {
+  display: none;
 }
 
 /* Input area styling */
 .jp-InputArea {
-    overflow: hidden;
+  overflow: hidden;
 }
 
 .jp-InputArea-editor {
-    overflow: hidden;
+  overflow: hidden;
+}
+
+.cm-editor.cm-s-jupyter .highlight pre {
+/* weird, but --jp-code-padding defined to be 5px but 4px horizontal padding is hardcoded for pre.cm-line */
+  padding: var(--jp-code-padding) 4px;
+  margin: 0;
+
+  font-family: inherit;
+  font-size: inherit;
+  line-height: inherit;
+  color: inherit;
+
+}
+
+.jp-OutputArea-output pre {
+  line-height: inherit;
+  font-family: inherit;
+}
+
+.jp-RenderedText pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+}
+
+/* Hiding the collapser by default */
+.jp-Collapser {
+  display: none;
+}
+
+@page {
+    margin: 0.5in; /* Margin for each printed piece of paper */
 }
 
 @media print {
-  body {
-    margin: 0;
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
   }
 }
 </style>
-
 <!-- Load mathjax -->
-    <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-MML-AM_CHTML-full,Safe"> </script>
-    <!-- MathJax configuration -->
-    <script type="text/x-mathjax-config">
+<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"> </script>
+<!-- MathJax configuration -->
+<script type="text/x-mathjax-config">
     init_mathjax = function() {
         if (window.MathJax) {
         // MathJax loaded
@@ -13956,77 +7319,543 @@
                     processEnvironments: true
                 },
                 displayAlign: 'center',
+                messageStyle: 'none',
                 CommonHTML: {
-                    linebreaks: { 
-                    automatic: true 
-                    }
-                },
-                "HTML-CSS": {
-                    linebreaks: { 
-                    automatic: true 
+                    linebreaks: {
+                    automatic: true
                     }
                 }
             });
-        
+
             MathJax.Hub.Queue(["Typeset", MathJax.Hub]);
         }
     }
     init_mathjax();
     </script>
-    <!-- End of mathjax configuration --></head>
+<!-- End of mathjax configuration --><script type="module">
+  document.addEventListener("DOMContentLoaded", async () => {
+    const diagrams = document.querySelectorAll(".jp-Mermaid > pre.mermaid");
+    // do not load mermaidjs if not needed
+    if (!diagrams.length) {
+      return;
+    }
+    const mermaid = (await import("https://cdnjs.cloudflare.com/ajax/libs/mermaid/11.10.0/mermaid.esm.min.mjs")).default;
+    const elkUrl = "https://cdnjs.cloudflare.com/ajax/libs/mermaid-layout-elk/0.1.9/mermaid-layout-elk.esm.min.mjs";
+    if(elkUrl) {
+      const elkLayouts = (await import(elkUrl)).default;
+      mermaid.registerLayoutLoaders(elkLayouts);
+    }
+    const parser = new DOMParser();
+
+    mermaid.initialize({
+      maxTextSize: 100000,
+      maxEdges: 100000,
+      startOnLoad: false,
+      fontFamily: window
+        .getComputedStyle(document.body)
+        .getPropertyValue("--jp-ui-font-family"),
+      theme: document.querySelector("body[data-jp-theme-light='true']")
+        ? "default"
+        : "dark",
+    });
+
+    let _nextMermaidId = 0;
+
+    function makeMermaidImage(svg) {
+      const img = document.createElement("img");
+      const doc = parser.parseFromString(svg, "image/svg+xml");
+      const svgEl = doc.querySelector("svg");
+      const { maxWidth } = svgEl?.style || {};
+      const firstTitle = doc.querySelector("title");
+      const firstDesc = doc.querySelector("desc");
+
+      img.setAttribute("src", `data:image/svg+xml,${encodeURIComponent(svg)}`);
+      if (maxWidth) {
+        img.width = parseInt(maxWidth);
+      }
+      if (firstTitle) {
+        img.setAttribute("alt", firstTitle.textContent);
+      }
+      if (firstDesc) {
+        const caption = document.createElement("figcaption");
+        caption.className = "sr-only";
+        caption.textContent = firstDesc.textContent;
+        return [img, caption];
+      }
+      return [img];
+    }
+
+    async function makeMermaidError(text) {
+      let errorMessage = "";
+      try {
+        await mermaid.parse(text);
+      } catch (err) {
+        errorMessage = `${err}`;
+      }
+
+      const result = document.createElement("details");
+      result.className = 'jp-RenderedMermaid-Details';
+      const summary = document.createElement("summary");
+      summary.className = 'jp-RenderedMermaid-Summary';
+      const pre = document.createElement("pre");
+      const code = document.createElement("code");
+      code.innerText = text;
+      pre.appendChild(code);
+      summary.appendChild(pre);
+      result.appendChild(summary);
+
+      const warning = document.createElement("pre");
+      warning.innerText = errorMessage;
+      result.appendChild(warning);
+      return [result];
+    }
+
+    async function renderOneMarmaid(src) {
+      const id = `jp-mermaid-${_nextMermaidId++}`;
+      const parent = src.parentNode;
+      let raw = src.textContent.trim();
+      const el = document.createElement("div");
+      el.style.visibility = "hidden";
+      document.body.appendChild(el);
+      let results = null;
+      let output = null;
+      try {
+        let { svg } = await mermaid.render(id, raw, el);
+        svg = cleanMermaidSvg(svg);
+        results = makeMermaidImage(svg);
+        output = document.createElement("figure");
+        results.map(output.appendChild, output);
+      } catch (err) {
+        parent.classList.add("jp-mod-warning");
+        results = await makeMermaidError(raw);
+        output = results[0];
+      } finally {
+        el.remove();
+      }
+      parent.classList.add("jp-RenderedMermaid");
+      parent.appendChild(output);
+    }
+
+
+    /**
+     * Post-process to ensure mermaid diagrams contain only valid SVG and XHTML.
+     */
+    function cleanMermaidSvg(svg) {
+      svg = svg.replace(RE_VOID_ELEMENT, replaceVoidElement);
+      return `${SVG_XML_HEADER}${svg}`;
+    }
+
+
+    /**
+     * A regular expression for all void elements, which may include attributes and
+     * a slash.
+     *
+     * @see https://developer.mozilla.org/en-US/docs/Glossary/Void_element
+     *
+     * Of these, only `<br>` is generated by Mermaid in place of `\n`,
+     * but _any_ "malformed" tag will break the SVG rendering entirely.
+     */
+    const RE_VOID_ELEMENT =
+      /<\s*(area|base|br|col|embed|hr|img|input|link|meta|param|source|track|wbr)\s*([^>]*?)\s*>/gi;
+
+    /**
+     * Ensure a void element is closed with a slash, preserving any attributes.
+     */
+    function replaceVoidElement(match, tag, rest) {
+      rest = rest.trim();
+      if (!rest.endsWith('/')) {
+        rest = `${rest} /`;
+      }
+      return `<${tag} ${rest}>`;
+    }
+
+
+  /**
+   * Named HTML entities with their decimal equivalent codes.
+   *
+   * @see https://www.w3.org/TR/WD-html40-970708/sgml/entities.html
+   * */
+  const HTML_ENTITIES = `<!ENTITY Aacute "&#193;">
+<!ENTITY aacute "&#225;">
+<!ENTITY Acirc "&#194;">
+<!ENTITY acirc "&#226;">
+<!ENTITY acute "&#180;">
+<!ENTITY AElig "&#198;">
+<!ENTITY aelig "&#230;">
+<!ENTITY Agrave "&#192;">
+<!ENTITY agrave "&#224;">
+<!ENTITY alefsym "&#8501;">
+<!ENTITY Alpha "&#913;">
+<!ENTITY alpha "&#945;">
+<!ENTITY amp "&#38;">
+<!ENTITY and "&#8869;">
+<!ENTITY ang "&#8736;">
+<!ENTITY Aring "&#197;">
+<!ENTITY aring "&#229;">
+<!ENTITY asymp "&#8776;">
+<!ENTITY Atilde "&#195;">
+<!ENTITY atilde "&#227;">
+<!ENTITY Auml "&#196;">
+<!ENTITY auml "&#228;">
+<!ENTITY bdquo "&#8222;">
+<!ENTITY Beta "&#914;">
+<!ENTITY beta "&#946;">
+<!ENTITY brvbar "&#166;">
+<!ENTITY bull "&#8226;">
+<!ENTITY cap "&#8745;">
+<!ENTITY Ccedil "&#199;">
+<!ENTITY ccedil "&#231;">
+<!ENTITY cedil "&#184;">
+<!ENTITY cent "&#162;">
+<!ENTITY Chi "&#935;">
+<!ENTITY chi "&#967;">
+<!ENTITY circ "&#710;">
+<!ENTITY clubs "&#9827;">
+<!ENTITY cong "&#8773;">
+<!ENTITY copy "&#169;">
+<!ENTITY crarr "&#8629;">
+<!ENTITY cup "&#8746;">
+<!ENTITY curren "&#164;">
+<!ENTITY dagger "&#8224;">
+<!ENTITY Dagger "&#8225;">
+<!ENTITY darr "&#8595;">
+<!ENTITY dArr "&#8659;">
+<!ENTITY deg "&#176;">
+<!ENTITY Delta "&#916;">
+<!ENTITY delta "&#948;">
+<!ENTITY diams "&#9830;">
+<!ENTITY divide "&#247;">
+<!ENTITY Eacute "&#201;">
+<!ENTITY eacute "&#233;">
+<!ENTITY Ecirc "&#202;">
+<!ENTITY ecirc "&#234;">
+<!ENTITY Egrave "&#200;">
+<!ENTITY egrave "&#232;">
+<!ENTITY empty "&#8709;">
+<!ENTITY emsp "&#8195;">
+<!ENTITY ensp "&#8194;">
+<!ENTITY epsilon "&#949;">
+<!ENTITY Epsilon "&#917;">
+<!ENTITY equiv "&#8801;">
+<!ENTITY Eta "&#919;">
+<!ENTITY eta "&#951;">
+<!ENTITY ETH "&#208;">
+<!ENTITY eth "&#240;">
+<!ENTITY Euml "&#203;">
+<!ENTITY euml "&#235;">
+<!ENTITY exist "&#8707;">
+<!ENTITY fnof "&#402;">
+<!ENTITY forall "&#8704;">
+<!ENTITY frac12 "&#189;">
+<!ENTITY frac14 "&#188;">
+<!ENTITY frac34 "&#190;">
+<!ENTITY frasl "&#8260;">
+<!ENTITY Gamma "&#915;">
+<!ENTITY gamma "&#947;">
+<!ENTITY ge "&#8805;">
+<!ENTITY gt "&#62;">
+<!ENTITY harr "&#8596;">
+<!ENTITY hArr "&#8660;">
+<!ENTITY hearts "&#9829;">
+<!ENTITY hellip "&#8230;">
+<!ENTITY Iacute "&#205;">
+<!ENTITY iacute "&#237;">
+<!ENTITY Icirc "&#206;">
+<!ENTITY icirc "&#238;">
+<!ENTITY iexcl "&#161;">
+<!ENTITY Igrave "&#204;">
+<!ENTITY igrave "&#236;">
+<!ENTITY image "&#8465;">
+<!ENTITY infin "&#8734;">
+<!ENTITY int "&#8747;">
+<!ENTITY Iota "&#921;">
+<!ENTITY iota "&#953;">
+<!ENTITY iquest "&#191;">
+<!ENTITY isin "&#8712;">
+<!ENTITY Iuml "&#207;">
+<!ENTITY iuml "&#239;">
+<!ENTITY Kappa "&#922;">
+<!ENTITY kappa "&#954;">
+<!ENTITY Lambda "&#923;">
+<!ENTITY lambda "&#955;">
+<!ENTITY lang "&#9001;">
+<!ENTITY laquo "&#171;">
+<!ENTITY larr "&#8592;">
+<!ENTITY lArr "&#8656;">
+<!ENTITY lceil "&#8968;">
+<!ENTITY ldquo "&#8220;">
+<!ENTITY le "&#8804;">
+<!ENTITY lfloor "&#8970;">
+<!ENTITY lowast "&#8727;">
+<!ENTITY loz "&#9674;">
+<!ENTITY lrm "&#8206;">
+<!ENTITY lsaquo "&#8249;">
+<!ENTITY lsquo "&#8216;">
+<!ENTITY lt "&#60;">
+<!ENTITY macr "&#175;">
+<!ENTITY mdash "&#8212;">
+<!ENTITY micro "&#181;">
+<!ENTITY middot "&#183;">
+<!ENTITY minus "&#8722;">
+<!ENTITY Mu "&#924;">
+<!ENTITY mu "&#956;">
+<!ENTITY nabla "&#8711;">
+<!ENTITY nbsp "&#160;">
+<!ENTITY ndash "&#8211;">
+<!ENTITY ne "&#8800;">
+<!ENTITY ni "&#8715;">
+<!ENTITY not "&#172;">
+<!ENTITY notin "&#8713;">
+<!ENTITY nsub "&#8836;">
+<!ENTITY Ntilde "&#209;">
+<!ENTITY ntilde "&#241;">
+<!ENTITY Nu "&#925;">
+<!ENTITY nu "&#957;">
+<!ENTITY Oacute "&#211;">
+<!ENTITY oacute "&#243;">
+<!ENTITY Ocirc "&#212;">
+<!ENTITY ocirc "&#244;">
+<!ENTITY OElig "&#338;">
+<!ENTITY oelig "&#339;">
+<!ENTITY Ograve "&#210;">
+<!ENTITY ograve "&#242;">
+<!ENTITY oline "&#8254;">
+<!ENTITY Omega "&#937;">
+<!ENTITY omega "&#969;">
+<!ENTITY Omicron "&#927;">
+<!ENTITY omicron "&#959;">
+<!ENTITY oplus "&#8853;">
+<!ENTITY or "&#8870;">
+<!ENTITY ordf "&#170;">
+<!ENTITY ordm "&#186;">
+<!ENTITY Oslash "&#216;">
+<!ENTITY oslash "&#248;">
+<!ENTITY Otilde "&#213;">
+<!ENTITY otilde "&#245;">
+<!ENTITY otimes "&#8855;">
+<!ENTITY Ouml "&#214;">
+<!ENTITY ouml "&#246;">
+<!ENTITY para "&#182;">
+<!ENTITY part "&#8706;">
+<!ENTITY permil "&#8240;">
+<!ENTITY perp "&#8869;">
+<!ENTITY Phi "&#934;">
+<!ENTITY phi "&#966;">
+<!ENTITY Pi "&#928;">
+<!ENTITY pi "&#960;">
+<!ENTITY piv "&#982;">
+<!ENTITY plusmn "&#177;">
+<!ENTITY pound "&#163;">
+<!ENTITY prime "&#8242;">
+<!ENTITY Prime "&#8243;">
+<!ENTITY prod "&#8719;">
+<!ENTITY prop "&#8733;">
+<!ENTITY Psi "&#936;">
+<!ENTITY psi "&#968;">
+<!ENTITY quot "&#34;">
+<!ENTITY radic "&#8730;">
+<!ENTITY rang "&#9002;">
+<!ENTITY raquo "&#187;">
+<!ENTITY rarr "&#8594;">
+<!ENTITY rArr "&#8658;">
+<!ENTITY rceil "&#8969;">
+<!ENTITY rdquo "&#8221;">
+<!ENTITY real "&#8476;">
+<!ENTITY reg "&#174;">
+<!ENTITY rfloor "&#8971;">
+<!ENTITY Rho "&#929;">
+<!ENTITY rho "&#961;">
+<!ENTITY rlm "&#8207;">
+<!ENTITY rsaquo "&#8250;">
+<!ENTITY rsquo "&#8217;">
+<!ENTITY sbquo "&#8218;">
+<!ENTITY Scaron "&#352;">
+<!ENTITY scaron "&#353;">
+<!ENTITY sdot "&#8901;">
+<!ENTITY sect "&#167;">
+<!ENTITY shy "&#173;">
+<!ENTITY Sigma "&#931;">
+<!ENTITY sigma "&#963;">
+<!ENTITY sigmaf "&#962;">
+<!ENTITY sim "&#8764;">
+<!ENTITY spades "&#9824;">
+<!ENTITY sub "&#8834;">
+<!ENTITY sube "&#8838;">
+<!ENTITY sum "&#8721;">
+<!ENTITY sup "&#8835;">
+<!ENTITY sup1 "&#185;">
+<!ENTITY sup2 "&#178;">
+<!ENTITY sup3 "&#179;">
+<!ENTITY supe "&#8839;">
+<!ENTITY szlig "&#223;">
+<!ENTITY Tau "&#932;">
+<!ENTITY tau "&#964;">
+<!ENTITY there4 "&#8756;">
+<!ENTITY Theta "&#920;">
+<!ENTITY theta "&#952;">
+<!ENTITY thetasym "&#977;">
+<!ENTITY thinsp "&#8201;">
+<!ENTITY THORN "&#222;">
+<!ENTITY thorn "&#254;">
+<!ENTITY tilde "&#732;">
+<!ENTITY times "&#215;">
+<!ENTITY trade "&#8482;">
+<!ENTITY Uacute "&#218;">
+<!ENTITY uacute "&#250;">
+<!ENTITY uarr "&#8593;">
+<!ENTITY uArr "&#8657;">
+<!ENTITY Ucirc "&#219;">
+<!ENTITY ucirc "&#251;">
+<!ENTITY Ugrave "&#217;">
+<!ENTITY ugrave "&#249;">
+<!ENTITY uml "&#168;">
+<!ENTITY upsih "&#978;">
+<!ENTITY Upsilon "&#933;">
+<!ENTITY upsilon "&#965;">
+<!ENTITY Uuml "&#220;">
+<!ENTITY uuml "&#252;">
+<!ENTITY weierp "&#8472;">
+<!ENTITY Xi "&#926;">
+<!ENTITY xi "&#958;">
+<!ENTITY Yacute "&#221;">
+<!ENTITY yacute "&#253;">
+<!ENTITY yen "&#165;">
+<!ENTITY Yuml "&#376;">
+<!ENTITY yuml "&#255;">
+<!ENTITY Zeta "&#918;">
+<!ENTITY zeta "&#950;">
+<!ENTITY zwj "&#8205;">
+<!ENTITY zwnj "&#8204;">`.replace(/\n/g, ' ');
+
+  /**
+   * A reasonably strict xml declaration.
+   */
+  const XML_DECL = '<?xml version="1.0" standalone="no"?>';
+
+  /**
+   * The beginning of the XML doctype declaration.
+   */
+  const DOCTYPE_START = `<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd" [`;
+
+  /**
+   * The end of the XML docype declaration.
+   */
+  const DOCTYPE_END = ']>';
+
+  /**
+   * A full header for an SVG XML document.
+   */
+  const SVG_XML_HEADER = `${XML_DECL}
+    ${DOCTYPE_START}${HTML_ENTITIES}${DOCTYPE_END}`;
+
+    void Promise.all([...diagrams].map(renderOneMarmaid));
+  });
+</script>
+<style>
+  .jp-Mermaid:not(.jp-RenderedMermaid) {
+    display: none;
+  }
+
+  .jp-RenderedMermaid {
+    overflow: auto;
+    display: flex;
+  }
+
+  .jp-RenderedMermaid.jp-mod-warning {
+    width: auto;
+    padding: 0.5em;
+    margin-top: 0.5em;
+    border: var(--jp-border-width) solid var(--jp-warn-color2);
+    border-radius: var(--jp-border-radius);
+    color: var(--jp-ui-font-color1);
+    font-size: var(--jp-ui-font-size1);
+    white-space: pre-wrap;
+    word-wrap: break-word;
+  }
+
+  .jp-RenderedMermaid figure {
+    margin: 0;
+    overflow: auto;
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid img {
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid-Details > pre {
+    margin-top: 1em;
+  }
+
+  .jp-RenderedMermaid-Summary {
+    color: var(--jp-warn-color2);
+  }
+
+  .jp-RenderedMermaid:not(.jp-mod-warning) pre {
+    display: none;
+  }
+
+  .jp-RenderedMermaid-Summary > pre {
+    display: inline-block;
+    white-space: normal;
+  }
+</style>
+<!-- End of mermaid configuration --></head>
 <body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
-<div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+<main><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[1]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [1]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">molgrid</span>
-<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
-<span class="kn">import</span> <span class="nn">torch</span>
-<span class="kn">import</span> <span class="nn">torch.nn</span> <span class="k">as</span> <span class="nn">nn</span>
-<span class="kn">import</span> <span class="nn">torch.nn.functional</span> <span class="k">as</span> <span class="nn">F</span>
-<span class="kn">import</span> <span class="nn">torch.optim</span> <span class="k">as</span> <span class="nn">optim</span>
-<span class="kn">from</span> <span class="nn">torch.nn</span> <span class="kn">import</span> <span class="n">init</span>
-<span class="kn">import</span> <span class="nn">os</span>
-<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">molgrid</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">numpy</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">np</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.nn</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">nn</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.nn.functional</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">F</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.optim</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">optim</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">torch.nn</span><span class="w"> </span><span class="kn">import</span> <span class="n">init</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">os</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">matplotlib.pyplot</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">plt</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[2]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [2]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># set some constants</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># set some constants</span>
 <span class="n">batch_size</span> <span class="o">=</span> <span class="mi">50</span>
-<span class="n">datadir</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">getcwd</span><span class="p">()</span> <span class="o">+</span><span class="s1">&#39;/data&#39;</span>
-<span class="n">fname</span> <span class="o">=</span> <span class="n">datadir</span><span class="o">+</span><span class="s2">&quot;/small.types&quot;</span>
+<span class="n">datadir</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">getcwd</span><span class="p">()</span> <span class="o">+</span><span class="s1">'/data'</span>
+<span class="n">fname</span> <span class="o">=</span> <span class="n">datadir</span><span class="o">+</span><span class="s2">"/small.types"</span>
 
 <span class="n">molgrid</span><span class="o">.</span><span class="n">set_random_seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
 <span class="n">torch</span><span class="o">.</span><span class="n">manual_seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
 <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[3]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [3]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># define network architecture</span>
-<span class="k">class</span> <span class="nc">Net</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dims</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># define network architecture</span>
+<span class="k">class</span><span class="w"> </span><span class="nc">Net</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dims</span><span class="p">):</span>
         <span class="nb">super</span><span class="p">(</span><span class="n">Net</span><span class="p">,</span> <span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">pool0</span> <span class="o">=</span> <span class="n">nn</span><span class="o">.</span><span class="n">MaxPool3d</span><span class="p">(</span><span class="mi">2</span><span class="p">)</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">conv1</span> <span class="o">=</span> <span class="n">nn</span><span class="o">.</span><span class="n">Conv3d</span><span class="p">(</span><span class="n">dims</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span> <span class="mi">32</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">padding</span><span class="o">=</span><span class="mi">1</span><span class="p">)</span>
@@ -14038,7 +7867,7 @@
         <span class="bp">self</span><span class="o">.</span><span class="n">last_layer_size</span> <span class="o">=</span> <span class="n">dims</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">//</span><span class="mi">8</span> <span class="o">*</span> <span class="n">dims</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">//</span><span class="mi">8</span> <span class="o">*</span> <span class="n">dims</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">//</span><span class="mi">8</span> <span class="o">*</span> <span class="mi">128</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">fc1</span> <span class="o">=</span> <span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">last_layer_size</span><span class="p">,</span> <span class="mi">2</span><span class="p">)</span>
 
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
+    <span class="k">def</span><span class="w"> </span><span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">):</span>
         <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pool0</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
         <span class="n">x</span> <span class="o">=</span> <span class="n">F</span><span class="o">.</span><span class="n">relu</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">conv1</span><span class="p">(</span><span class="n">x</span><span class="p">))</span>
         <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">pool1</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
@@ -14049,92 +7878,83 @@
         <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">fc1</span><span class="p">(</span><span class="n">x</span><span class="p">)</span>
         <span class="k">return</span> <span class="n">x</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[4]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [4]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># define weight initialization</span>
-<span class="k">def</span> <span class="nf">weights_init</span><span class="p">(</span><span class="n">m</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># define weight initialization</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">weights_init</span><span class="p">(</span><span class="n">m</span><span class="p">):</span>
     <span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">nn</span><span class="o">.</span><span class="n">Conv3d</span><span class="p">)</span> <span class="ow">or</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">):</span>
         <span class="n">init</span><span class="o">.</span><span class="n">xavier_uniform_</span><span class="p">(</span><span class="n">m</span><span class="o">.</span><span class="n">weight</span><span class="o">.</span><span class="n">data</span><span class="p">)</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[5]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [5]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># use the libmolgrid ExampleProvider to obtain shuffled, balanced, and stratified batches from a file</span>
-<span class="n">e</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">ExampleProvider</span><span class="p">(</span><span class="n">data_root</span><span class="o">=</span><span class="n">datadir</span><span class="o">+</span><span class="s2">&quot;/structs&quot;</span><span class="p">,</span><span class="n">balanced</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span><span class="n">shuffle</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># use the libmolgrid ExampleProvider to obtain shuffled, balanced, and stratified batches from a file</span>
+<span class="n">e</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">ExampleProvider</span><span class="p">(</span><span class="n">data_root</span><span class="o">=</span><span class="n">datadir</span><span class="o">+</span><span class="s2">"/structs"</span><span class="p">,</span><span class="n">balanced</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span><span class="n">shuffle</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
 <span class="n">e</span><span class="o">.</span><span class="n">populate</span><span class="p">(</span><span class="n">fname</span><span class="p">)</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[6]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [6]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># initialize libmolgrid GridMaker</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># initialize libmolgrid GridMaker</span>
 <span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">()</span>
 <span class="n">dims</span> <span class="o">=</span> <span class="n">gmaker</span><span class="o">.</span><span class="n">grid_dimensions</span><span class="p">(</span><span class="n">e</span><span class="o">.</span><span class="n">num_types</span><span class="p">())</span>
 <span class="n">tensor_shape</span> <span class="o">=</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,)</span><span class="o">+</span><span class="n">dims</span>
 </pre></div>
-
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 </div>
 </div>
 </div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[7]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [7]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># initialize Net on GPU</span>
-<span class="n">model</span> <span class="o">=</span> <span class="n">Net</span><span class="p">(</span><span class="n">dims</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># initialize Net on GPU</span>
+<span class="n">model</span> <span class="o">=</span> <span class="n">Net</span><span class="p">(</span><span class="n">dims</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">'cuda'</span><span class="p">)</span>
 <span class="n">model</span><span class="o">.</span><span class="n">apply</span><span class="p">(</span><span class="n">weights_init</span><span class="p">)</span>
 </pre></div>
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+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[7]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
 <pre style=" white-space: pre;">Net(
   (pool0): MaxPool3d(kernel_size=2, stride=2, padding=0, dilation=1, ceil_mode=False)
   (conv1): Conv3d(28, 32, kernel_size=(3, 3, 3), stride=(1, 1, 1), padding=(1, 1, 1))
@@ -14145,51 +7965,49 @@
   (fc1): Linear(in_features=27648, out_features=2, bias=True)
 )</pre>
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+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[8]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [8]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># construct optimizer</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># construct optimizer</span>
 <span class="n">optimizer</span> <span class="o">=</span> <span class="n">optim</span><span class="o">.</span><span class="n">SGD</span><span class="p">(</span><span class="n">model</span><span class="o">.</span><span class="n">parameters</span><span class="p">(),</span> <span class="n">lr</span><span class="o">=</span><span class="mf">0.01</span><span class="p">,</span> <span class="n">momentum</span><span class="o">=</span><span class="mf">0.9</span><span class="p">)</span>
 </pre></div>
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 </div>
 </div>
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-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[9]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [9]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># construct input tensors</span>
-<span class="n">input_tensor</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="n">tensor_shape</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># construct input tensors</span>
+<span class="n">input_tensor</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="n">tensor_shape</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
 <span class="n">float_labels</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">)</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[10]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [10]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># train for 500 iterations</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># train for 500 iterations</span>
 <span class="n">losses</span> <span class="o">=</span> <span class="p">[]</span>
 <span class="k">for</span> <span class="n">iteration</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">500</span><span class="p">):</span>
     <span class="c1"># load data</span>
@@ -14199,7 +8017,7 @@
     <span class="c1"># the user may also use libmolgrid Transforms directly in python</span>
     <span class="n">gmaker</span><span class="o">.</span><span class="n">forward</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">input_tensor</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span> <span class="n">random_rotation</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
     <span class="n">batch</span><span class="o">.</span><span class="n">extract_label</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="n">float_labels</span><span class="p">)</span>
-    <span class="n">labels</span> <span class="o">=</span> <span class="n">float_labels</span><span class="o">.</span><span class="n">long</span><span class="p">()</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+    <span class="n">labels</span> <span class="o">=</span> <span class="n">float_labels</span><span class="o">.</span><span class="n">long</span><span class="p">()</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">'cuda'</span><span class="p">)</span>
 
     <span class="n">optimizer</span><span class="o">.</span><span class="n">zero_grad</span><span class="p">()</span>
     <span class="n">output</span> <span class="o">=</span> <span class="n">model</span><span class="p">(</span><span class="n">input_tensor</span><span class="p">)</span>
@@ -14208,102 +8026,74 @@
     <span class="n">optimizer</span><span class="o">.</span><span class="n">step</span><span class="p">()</span>
     <span class="n">losses</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">float</span><span class="p">(</span><span class="n">loss</span><span class="p">))</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[11]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [11]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="k">matplotlib</span> inline
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="n">matplotlib</span> <span class="n">inline</span>
 </pre></div>
-
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[12]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [12]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">losses</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">losses</span><span class="p">)</span>
 </pre></div>
-
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+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
 <pre style=" white-space: pre;">[&lt;matplotlib.lines.Line2D at 0x7f1197dbcc88&gt;]</pre>
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diff --git a/docs/_tutorials/train_basic_CNN_with_Tensorflow.html b/docs/_tutorials/train_basic_CNN_with_Tensorflow.html
index 62d4f064..0091c0bd 100644
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+++ b/docs/_tutorials/train_basic_CNN_with_Tensorflow.html
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-
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-  background: rgba(var(--jp-scrollbar-thumb-color), 0.5);
-  border: var(--jp-scrollbar-thumb-margin) solid transparent;
-  background-clip: content-box;
-  border-radius: var(--jp-scrollbar-thumb-radius);
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-hscrollbar::-webkit-scrollbar-track:horizontal {
-  border-left: var(--jp-scrollbar-endpad) solid transparent;
-  border-right: var(--jp-scrollbar-endpad) solid transparent;
-}
-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid transparent;
-  border-bottom: var(--jp-scrollbar-endpad) solid transparent;
-}
-
 /* tiny scrollbar */
 
 .jp-scrollbar-tiny::-webkit-scrollbar,
@@ -176,17 +105,17 @@
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:horizontal {
-  border-left: 0px solid transparent;
-  border-right: 0px solid transparent;
+  border-left: 0 solid transparent;
+  border-right: 0 solid transparent;
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:vertical {
-  border-top: 0px solid transparent;
-  border-bottom: 0px solid transparent;
+  border-top: 0 solid transparent;
+  border-bottom: 0 solid transparent;
 }
 
 /*
- * Phosphor
+ * Lumino
  */
 
 .lm-ScrollBar[data-orientation='horizontal'] {
@@ -274,6 +203,11 @@
   background-size: 17px;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -283,21 +217,33 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Widget, /* </DEPRECATED> */
 .lm-Widget {
   box-sizing: border-box;
   position: relative;
   overflow: hidden;
-  cursor: default;
 }
 
-
-/* <DEPRECATED> */ .p-Widget.p-mod-hidden, /* </DEPRECATED> */
 .lm-Widget.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.lm-AccordionPanel[data-orientation='horizontal'] > .lm-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -307,8 +253,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-CommandPalette, /* </DEPRECATED> */
 .lm-CommandPalette {
   display: flex;
   flex-direction: column;
@@ -318,14 +262,10 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-search, /* </DEPRECATED> */
 .lm-CommandPalette-search {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-content, /* </DEPRECATED> */
 .lm-CommandPalette-content {
   flex: 1 1 auto;
   margin: 0;
@@ -335,42 +275,30 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-header, /* </DEPRECATED> */
 .lm-CommandPalette-header {
   overflow: hidden;
   white-space: nowrap;
   text-overflow: ellipsis;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-item, /* </DEPRECATED> */
 .lm-CommandPalette-item {
   display: flex;
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemIcon, /* </DEPRECATED> */
 .lm-CommandPalette-itemIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemContent, /* </DEPRECATED> */
 .lm-CommandPalette-itemContent {
   flex: 1 1 auto;
   overflow: hidden;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemShortcut, /* </DEPRECATED> */
 .lm-CommandPalette-itemShortcut {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemLabel, /* </DEPRECATED> */
 .lm-CommandPalette-itemLabel {
   overflow: hidden;
   white-space: nowrap;
@@ -378,32 +306,37 @@
 }
 
 .lm-close-icon {
-	border:1px solid transparent;
+  border: 1px solid transparent;
   background-color: transparent;
   position: absolute;
-	z-index:1;
-	right:3%;
-	top: 0;
-	bottom: 0;
-	margin: auto;
-	padding: 7px 0;
-	display: none;
-	vertical-align: middle;
+  z-index: 1;
+  right: 3%;
+  top: 0;
+  bottom: 0;
+  margin: auto;
+  padding: 7px 0;
+  display: none;
+  vertical-align: middle;
   outline: 0;
   cursor: pointer;
 }
 .lm-close-icon:after {
-	content: "X";
-	display: block;
-	width: 15px;
-	height: 15px;
-	text-align: center;
-	color:#000;
-	font-weight: normal;
-	font-size: 12px;
-	cursor: pointer;
+  content: 'X';
+  display: block;
+  width: 15px;
+  height: 15px;
+  text-align: center;
+  color: #000;
+  font-weight: normal;
+  font-size: 12px;
+  cursor: pointer;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -413,38 +346,26 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-DockPanel, /* </DEPRECATED> */
 .lm-DockPanel {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-widget, /* </DEPRECATED> */
 .lm-DockPanel-widget {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-tabBar, /* </DEPRECATED> */
 .lm-DockPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle, /* </DEPRECATED> */
 .lm-DockPanel-handle {
   z-index: 2;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle:after, /* </DEPRECATED> */
 .lm-DockPanel-handle:after {
   position: absolute;
   top: 0;
@@ -454,56 +375,41 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal'] {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical'] {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal']:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical']:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay, /* </DEPRECATED> */
 .lm-DockPanel-overlay {
   z-index: 3;
   box-sizing: border-box;
   pointer-events: none;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-overlay.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -513,8 +419,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Menu, /* </DEPRECATED> */
 .lm-Menu {
   z-index: 10000;
   position: absolute;
@@ -528,8 +432,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-content, /* </DEPRECATED> */
 .lm-Menu-content {
   margin: 0;
   padding: 0;
@@ -537,47 +439,36 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-item, /* </DEPRECATED> */
 .lm-Menu-item {
   display: table-row;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-item.p-mod-hidden,
-.p-Menu-item.p-mod-collapsed,
-/* </DEPRECATED> */
 .lm-Menu-item.lm-mod-hidden,
 .lm-Menu-item.lm-mod-collapsed {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-itemIcon,
-.p-Menu-itemSubmenuIcon,
-/* </DEPRECATED> */
 .lm-Menu-itemIcon,
 .lm-Menu-itemSubmenuIcon {
   display: table-cell;
   text-align: center;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemLabel, /* </DEPRECATED> */
 .lm-Menu-itemLabel {
   display: table-cell;
   text-align: left;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemShortcut, /* </DEPRECATED> */
 .lm-Menu-itemShortcut {
   display: table-cell;
   text-align: right;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -587,8 +478,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-MenuBar, /* </DEPRECATED> */
 .lm-MenuBar {
   outline: none;
   -webkit-user-select: none;
@@ -597,8 +486,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-MenuBar-content, /* </DEPRECATED> */
 .lm-MenuBar-content {
   margin: 0;
   padding: 0;
@@ -607,22 +494,20 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p--MenuBar-item, /* </DEPRECATED> */
 .lm-MenuBar-item {
   box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */
-.p-MenuBar-itemIcon,
-.p-MenuBar-itemLabel,
-/* </DEPRECATED> */
 .lm-MenuBar-itemIcon,
 .lm-MenuBar-itemLabel {
   display: inline-block;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -632,8 +517,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-ScrollBar, /* </DEPRECATED> */
 .lm-ScrollBar {
   display: flex;
   -webkit-user-select: none;
@@ -642,31 +525,19 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='horizontal'] {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='vertical'] {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-button, /* </DEPRECATED> */
 .lm-ScrollBar-button {
   box-sizing: border-box;
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-track, /* </DEPRECATED> */
 .lm-ScrollBar-track {
   box-sizing: border-box;
   position: relative;
@@ -674,13 +545,16 @@
   flex: 1 1 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-thumb, /* </DEPRECATED> */
 .lm-ScrollBar-thumb {
   box-sizing: border-box;
   position: absolute;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -690,26 +564,18 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-SplitPanel-child, /* </DEPRECATED> */
 .lm-SplitPanel-child {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle, /* </DEPRECATED> */
 .lm-SplitPanel-handle {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-SplitPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle:after, /* </DEPRECATED> */
 .lm-SplitPanel-handle:after {
   position: absolute;
   top: 0;
@@ -719,42 +585,31 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -764,8 +619,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabBar, /* </DEPRECATED> */
 .lm-TabBar {
   display: flex;
   -webkit-user-select: none;
@@ -774,20 +627,16 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='horizontal'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] {
   flex-direction: row;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='vertical'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] {
   flex-direction: column;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-content, /* </DEPRECATED> */
 .lm-TabBar-content {
   margin: 0;
   padding: 0;
@@ -796,94 +645,77 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='horizontal'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] > .lm-TabBar-content {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='vertical'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] > .lm-TabBar-content {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar-tab {
   display: flex;
   flex-direction: row;
   box-sizing: border-box;
   overflow: hidden;
+  touch-action: none; /* Disable native Drag/Drop */
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar-tabIcon,
-.p-TabBar-tabCloseIcon,
-/* </DEPRECATED> */
 .lm-TabBar-tabIcon,
 .lm-TabBar-tabCloseIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tabLabel, /* </DEPRECATED> */
 .lm-TabBar-tabLabel {
   flex: 1 1 auto;
   overflow: hidden;
   white-space: nowrap;
 }
 
-
 .lm-TabBar-tabInput {
   user-select: all;
   width: 100%;
-  box-sizing : border-box;
+  box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab.p-mod-hidden, /* </DEPRECATED> */
 .lm-TabBar-tab.lm-mod-hidden {
   display: none !important;
 }
 
+.lm-TabBar-addButton.lm-mod-hidden {
+  display: none !important;
+}
 
-/* <DEPRECATED> */ .p-TabBar.p-mod-dragging .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab {
   position: relative;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='horizontal'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='horizontal'] .lm-TabBar-tab {
   left: 0;
   transition: left 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='vertical'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='vertical'] .lm-TabBar-tab {
   top: 0;
   transition: top 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging .p-TabBar-tab.p-mod-dragging,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab.lm-mod-dragging {
   transition: none;
 }
 
+.lm-TabBar-tabLabel .lm-TabBar-tabInput {
+  user-select: all;
+  width: 100%;
+  box-sizing: border-box;
+  background: inherit;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -893,18 +725,19 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabPanel-tabBar, /* </DEPRECATED> */
 .lm-TabPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-TabPanel-stackedPanel, /* </DEPRECATED> */
 .lm-TabPanel-stackedPanel {
   z-index: 0;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -914,10242 +747,3020 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-@charset "UTF-8";
-html{
-  -webkit-box-sizing:border-box;
-          box-sizing:border-box; }
-
-*,
-*::before,
-*::after{
-  -webkit-box-sizing:inherit;
-          box-sizing:inherit; }
-
-body{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none;
-  color:#182026;
-  font-family:-apple-system, "BlinkMacSystemFont", "Segoe UI", "Roboto", "Oxygen", "Ubuntu", "Cantarell", "Open Sans", "Helvetica Neue", "Icons16", sans-serif; }
-
-p{
-  margin-bottom:10px;
-  margin-top:0; }
-
-small{
-  font-size:12px; }
-
-strong{
-  font-weight:600; }
-
-::-moz-selection{
-  background:rgba(125, 188, 255, 0.6); }
-
-::selection{
-  background:rgba(125, 188, 255, 0.6); }
-.bp3-heading{
-  color:#182026;
-  font-weight:600;
-  margin:0 0 10px;
-  padding:0; }
-  .bp3-dark .bp3-heading{
-    color:#f5f8fa; }
-
-h1.bp3-heading, .bp3-running-text h1{
-  font-size:36px;
-  line-height:40px; }
-
-h2.bp3-heading, .bp3-running-text h2{
-  font-size:28px;
-  line-height:32px; }
-
-h3.bp3-heading, .bp3-running-text h3{
-  font-size:22px;
-  line-height:25px; }
-
-h4.bp3-heading, .bp3-running-text h4{
-  font-size:18px;
-  line-height:21px; }
-
-h5.bp3-heading, .bp3-running-text h5{
-  font-size:16px;
-  line-height:19px; }
-
-h6.bp3-heading, .bp3-running-text h6{
-  font-size:14px;
-  line-height:16px; }
-.bp3-ui-text{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none; }
-
-.bp3-monospace-text{
-  font-family:monospace;
-  text-transform:none; }
-
-.bp3-text-muted{
-  color:#5c7080; }
-  .bp3-dark .bp3-text-muted{
-    color:#a7b6c2; }
-
-.bp3-text-disabled{
-  color:rgba(92, 112, 128, 0.6); }
-  .bp3-dark .bp3-text-disabled{
-    color:rgba(167, 182, 194, 0.6); }
-
-.bp3-text-overflow-ellipsis{
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal; }
-.bp3-running-text{
-  font-size:14px;
-  line-height:1.5; }
-  .bp3-running-text h1{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h1{
-      color:#f5f8fa; }
-  .bp3-running-text h2{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h2{
-      color:#f5f8fa; }
-  .bp3-running-text h3{
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-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-    .bp3-button.bp3-intent-danger:hover, .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      color:#ffffff; }
-    .bp3-button.bp3-intent-danger:hover{
-      background-color:#c23030;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      background-color:#a82a2a;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:disabled, .bp3-button.bp3-intent-danger.bp3-disabled{
-      background-color:rgba(219, 55, 55, 0.5);
-      background-image:none;
-      border-color:transparent;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.6); }
-  .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-    stroke:#ffffff; }
-  .bp3-button.bp3-large,
-  .bp3-large .bp3-button{
-    min-height:40px;
-    min-width:40px;
-    font-size:16px;
-    padding:5px 15px; }
-    .bp3-button.bp3-large::before,
-    .bp3-button.bp3-large > *,
-    .bp3-large .bp3-button::before,
-    .bp3-large .bp3-button > *{
-      margin-right:10px; }
-    .bp3-button.bp3-large:empty::before,
-    .bp3-button.bp3-large > :last-child,
-    .bp3-large .bp3-button:empty::before,
-    .bp3-large .bp3-button > :last-child{
-      margin-right:0; }
-  .bp3-button.bp3-small,
-  .bp3-small .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    padding:0 7px; }
-  .bp3-button.bp3-loading{
-    position:relative; }
-    .bp3-button.bp3-loading[class*="bp3-icon-"]::before{
-      visibility:hidden; }
-    .bp3-button.bp3-loading .bp3-button-spinner{
-      margin:0;
-      position:absolute; }
-    .bp3-button.bp3-loading > :not(.bp3-button-spinner){
-      visibility:hidden; }
-  .bp3-button[class*="bp3-icon-"]::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    color:#5c7080; }
-  .bp3-button .bp3-icon, .bp3-button .bp3-icon-standard, .bp3-button .bp3-icon-large{
-    color:#5c7080; }
-    .bp3-button .bp3-icon.bp3-align-right, .bp3-button .bp3-icon-standard.bp3-align-right, .bp3-button .bp3-icon-large.bp3-align-right{
-      margin-left:7px; }
-  .bp3-button .bp3-icon:first-child:last-child,
-  .bp3-button .bp3-spinner + .bp3-icon:last-child{
-    margin:0 -7px; }
-  .bp3-dark .bp3-button:not([class*="bp3-intent-"]){
-    background-color:#394b59;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover, .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled{
-      background-color:rgba(57, 75, 89, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-      .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled.bp3-active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled.bp3-active{
-        background:rgba(57, 75, 89, 0.7); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-button-spinner .bp3-spinner-head{
-      background:rgba(16, 22, 26, 0.5);
-      stroke:#8a9ba8; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"])[class*="bp3-icon-"]::before{
-      color:#a7b6c2; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-standard, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-large{
-      color:#a7b6c2; }
-  .bp3-dark .bp3-button[class*="bp3-intent-"]{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:hover{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:active, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-active{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:disabled, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-disabled{
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.3); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-      stroke:#8a9ba8; }
-  .bp3-button:disabled::before,
-  .bp3-button:disabled .bp3-icon, .bp3-button:disabled .bp3-icon-standard, .bp3-button:disabled .bp3-icon-large, .bp3-button.bp3-disabled::before,
-  .bp3-button.bp3-disabled .bp3-icon, .bp3-button.bp3-disabled .bp3-icon-standard, .bp3-button.bp3-disabled .bp3-icon-large, .bp3-button[class*="bp3-intent-"]::before,
-  .bp3-button[class*="bp3-intent-"] .bp3-icon, .bp3-button[class*="bp3-intent-"] .bp3-icon-standard, .bp3-button[class*="bp3-intent-"] .bp3-icon-large{
-    color:inherit !important; }
-  .bp3-button.bp3-minimal{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button.bp3-minimal:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-minimal:active, .bp3-button.bp3-minimal.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-minimal:disabled, .bp3-button.bp3-minimal:disabled:hover, .bp3-button.bp3-minimal.bp3-disabled, .bp3-button.bp3-minimal.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-minimal{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-minimal:hover, .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-minimal:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-minimal:disabled, .bp3-dark .bp3-button.bp3-minimal:disabled:hover, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover, .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover, .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover, .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-            background:rgba(217, 130, 43, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-danger{
-      color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover, .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-          background:rgba(219, 55, 55, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-danger .bp3-button-spinner .bp3-spinner-head{
-        stroke:#c23030; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger{
-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-          background:rgba(219, 55, 55, 0.2);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-          background:rgba(219, 55, 55, 0.3);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-  .bp3-button.bp3-outlined{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    border:1px solid rgba(24, 32, 38, 0.2);
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box; }
-    .bp3-button.bp3-outlined:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-outlined:active, .bp3-button.bp3-outlined.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-outlined:disabled, .bp3-button.bp3-outlined:disabled:hover, .bp3-button.bp3-outlined.bp3-disabled, .bp3-button.bp3-outlined.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-outlined{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-outlined:hover, .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-outlined:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
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-            background:rgba(15, 153, 96, 0.3); }
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-
-a.bp3-button{
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-  text-decoration:none;
-  -webkit-transition:none;
-  transition:none; }
-  a.bp3-button, a.bp3-button:hover, a.bp3-button:active{
-    color:#182026; }
-  a.bp3-button.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6); }
-
-.bp3-button-text{
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-      -ms-flex:0 1 auto;
-          flex:0 1 auto; }
-
-.bp3-button.bp3-align-left .bp3-button-text, .bp3-button.bp3-align-right .bp3-button-text,
-.bp3-button-group.bp3-align-left .bp3-button-text,
-.bp3-button-group.bp3-align-right .bp3-button-text{
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-.bp3-button-group{
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-  display:inline-flex; }
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-            flex:0 0 auto;
-    position:relative;
-    z-index:4; }
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-    .bp3-button-group .bp3-button:hover{
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-    border-top-left-radius:0; }
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-    border-top-right-radius:0;
-    margin-right:-1px; }
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-            box-shadow:none; }
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-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
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-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
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-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button-group.bp3-minimal .bp3-button:disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button:disabled:hover.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
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-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:hover, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
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-                box-shadow:none; }
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-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button-group.bp3-minimal .bp3-button:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
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-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
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-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
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-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled.bp3-active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
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-        .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
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-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
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-  display:block;
-  margin-bottom:10px;
-  position:relative;
-  text-transform:none; }
-  .bp3-control input:checked ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control input:checked ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control:not(.bp3-align-right){
-    padding-left:26px; }
-    .bp3-control:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-26px; }
-  .bp3-control.bp3-align-right{
-    padding-right:26px; }
-    .bp3-control.bp3-align-right .bp3-control-indicator{
-      margin-right:-26px; }
-  .bp3-control.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-control.bp3-inline{
-    display:inline-block;
-    margin-right:20px; }
-  .bp3-control input{
-    left:0;
-    opacity:0;
-    position:absolute;
-    top:0;
-    z-index:-1; }
-  .bp3-control .bp3-control-indicator{
-    background-clip:padding-box;
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    border:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    cursor:pointer;
-    display:inline-block;
-    font-size:16px;
-    height:1em;
-    margin-right:10px;
-    margin-top:-3px;
-    position:relative;
-    -webkit-user-select:none;
-       -moz-user-select:none;
-        -ms-user-select:none;
-            user-select:none;
-    vertical-align:middle;
-    width:1em; }
-    .bp3-control .bp3-control-indicator::before{
-      content:"";
-      display:block;
-      height:1em;
-      width:1em; }
-  .bp3-control:hover .bp3-control-indicator{
-    background-color:#ebf1f5; }
-  .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-    background:#d8e1e8;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    cursor:not-allowed; }
-  .bp3-control input:focus ~ .bp3-control-indicator{
-    outline:rgba(19, 124, 189, 0.6) auto 2px;
-    outline-offset:2px;
-    -moz-outline-radius:6px; }
-  .bp3-control.bp3-align-right .bp3-control-indicator{
-    float:right;
-    margin-left:10px;
-    margin-top:1px; }
-  .bp3-control.bp3-large{
-    font-size:16px; }
-    .bp3-control.bp3-large:not(.bp3-align-right){
-      padding-left:30px; }
-      .bp3-control.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-        margin-left:-30px; }
-    .bp3-control.bp3-large.bp3-align-right{
-      padding-right:30px; }
-      .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-        margin-right:-30px; }
-    .bp3-control.bp3-large .bp3-control-indicator{
-      font-size:20px; }
-    .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-top:0; }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control.bp3-checkbox .bp3-control-indicator{
-    border-radius:3px; }
-  .bp3-control.bp3-checkbox input:checked ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M12 5c-.28 0-.53.11-.71.29L7 9.59l-2.29-2.3a1.003 1.003 0 00-1.42 1.42l3 3c.18.18.43.29.71.29s.53-.11.71-.29l5-5A1.003 1.003 0 0012 5z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M11 7H5c-.55 0-1 .45-1 1s.45 1 1 1h6c.55 0 1-.45 1-1s-.45-1-1-1z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-radio .bp3-control-indicator{
-    border-radius:50%; }
-  .bp3-control.bp3-radio input:checked ~ .bp3-control-indicator::before{
-    background-image:radial-gradient(#ffffff, #ffffff 28%, transparent 32%); }
-  .bp3-control.bp3-radio input:checked:disabled ~ .bp3-control-indicator::before{
-    opacity:0.5; }
-  .bp3-control.bp3-radio input:focus ~ .bp3-control-indicator{
-    -moz-outline-radius:16px; }
-  .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(167, 182, 194, 0.5); }
-  .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(115, 134, 148, 0.5); }
-  .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(92, 112, 128, 0.5); }
-  .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5); }
-    .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5); }
-    .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch:not(.bp3-align-right){
-    padding-left:38px; }
-    .bp3-control.bp3-switch:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-38px; }
-  .bp3-control.bp3-switch.bp3-align-right{
-    padding-right:38px; }
-    .bp3-control.bp3-switch.bp3-align-right .bp3-control-indicator{
-      margin-right:-38px; }
-  .bp3-control.bp3-switch .bp3-control-indicator{
-    border:none;
-    border-radius:1.75em;
-    -webkit-box-shadow:none !important;
-            box-shadow:none !important;
-    min-width:1.75em;
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    width:auto; }
-    .bp3-control.bp3-switch .bp3-control-indicator::before{
-      background:#ffffff;
-      border-radius:50%;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-      height:calc(1em - 4px);
-      left:0;
-      margin:2px;
-      position:absolute;
-      -webkit-transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      width:calc(1em - 4px); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    left:calc(100% - 1em); }
-  .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right){
-    padding-left:45px; }
-    .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-45px; }
-  .bp3-control.bp3-switch.bp3-large.bp3-align-right{
-    padding-right:45px; }
-    .bp3-control.bp3-switch.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-right:-45px; }
-  .bp3-dark .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.5); }
-  .bp3-dark .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.7); }
-  .bp3-dark .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.9); }
-  .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(57, 75, 89, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-dark .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch .bp3-control-indicator::before{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-control.bp3-switch .bp3-switch-inner-text{
-    font-size:0.7em;
-    text-align:center; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:first-child{
-    line-height:0;
-    margin-left:0.5em;
-    margin-right:1.2em;
-    visibility:hidden; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:last-child{
-    line-height:1em;
-    margin-left:1.2em;
-    margin-right:0.5em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:first-child{
-    line-height:1em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:last-child{
-    line-height:0;
-    visibility:hidden; }
-  .bp3-dark .bp3-control{
-    color:#f5f8fa; }
-    .bp3-dark .bp3-control.bp3-disabled{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-control .bp3-control-indicator{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-control:hover .bp3-control-indicator{
-      background-color:#30404d; }
-    .bp3-dark .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-      background:#202b33;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-control input:disabled ~ .bp3-control-indicator{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      cursor:not-allowed; }
-    .bp3-dark .bp3-control.bp3-checkbox input:disabled:checked ~ .bp3-control-indicator, .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-file-input{
-  cursor:pointer;
-  display:inline-block;
-  height:30px;
-  position:relative; }
-  .bp3-file-input input{
-    margin:0;
-    min-width:200px;
-    opacity:0; }
-    .bp3-file-input input:disabled + .bp3-file-upload-input,
-    .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-      background:rgba(206, 217, 224, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      resize:none; }
-      .bp3-file-input input:disabled + .bp3-file-upload-input::after,
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-        background-color:rgba(206, 217, 224, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(92, 112, 128, 0.6);
-        cursor:not-allowed;
-        outline:none; }
-        .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active:hover,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active:hover{
-          background:rgba(206, 217, 224, 0.7); }
-      .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input, .bp3-dark
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-        background:rgba(57, 75, 89, 0.5);
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after, .bp3-dark
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-          background-color:rgba(57, 75, 89, 0.5);
-          background-image:none;
-          -webkit-box-shadow:none;
-                  box-shadow:none;
-          color:rgba(167, 182, 194, 0.6); }
-          .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-dark
-          .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active{
-            background:rgba(57, 75, 89, 0.7); }
-  .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#182026; }
-  .bp3-dark .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#f5f8fa; }
-  .bp3-file-input.bp3-fill{
-    width:100%; }
-  .bp3-file-input.bp3-large,
-  .bp3-large .bp3-file-input{
-    height:40px; }
-  .bp3-file-input .bp3-file-upload-input-custom-text::after{
-    content:attr(bp3-button-text); }
-
-.bp3-file-upload-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle;
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal;
-  color:rgba(92, 112, 128, 0.6);
-  left:0;
-  padding-right:80px;
-  position:absolute;
-  right:0;
-  top:0;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-file-upload-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:focus, .bp3-file-upload-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-file-upload-input[type="search"], .bp3-file-upload-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-file-upload-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-file-upload-input:disabled, .bp3-file-upload-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-file-upload-input::after{
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    color:#182026;
-    min-height:24px;
-    min-width:24px;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    border-radius:3px;
-    content:"Browse";
-    line-height:24px;
-    margin:3px;
-    position:absolute;
-    right:0;
-    text-align:center;
-    top:0;
-    width:70px; }
-    .bp3-file-upload-input::after:hover{
-      background-clip:padding-box;
-      background-color:#ebf1f5;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-    .bp3-file-upload-input::after:active, .bp3-file-upload-input::after.bp3-active{
-      background-color:#d8e1e8;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-file-upload-input::after:disabled, .bp3-file-upload-input::after.bp3-disabled{
-      background-color:rgba(206, 217, 224, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      outline:none; }
-      .bp3-file-upload-input::after:disabled.bp3-active, .bp3-file-upload-input::after:disabled.bp3-active:hover, .bp3-file-upload-input::after.bp3-disabled.bp3-active, .bp3-file-upload-input::after.bp3-disabled.bp3-active:hover{
-        background:rgba(206, 217, 224, 0.7); }
-  .bp3-file-upload-input:hover::after{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-file-upload-input:active::after{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-large .bp3-file-upload-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px;
-    padding-right:95px; }
-    .bp3-large .bp3-file-upload-input[type="search"], .bp3-large .bp3-file-upload-input.bp3-round{
-      padding:0 15px; }
-    .bp3-large .bp3-file-upload-input::after{
-      min-height:30px;
-      min-width:30px;
-      line-height:30px;
-      margin:5px;
-      width:85px; }
-  .bp3-dark .bp3-file-upload-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa;
-    color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:disabled, .bp3-dark .bp3-file-upload-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::after{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-      color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover, .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover{
-        background-color:#30404d;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        background-color:#202b33;
-        background-image:none;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-      .bp3-dark .bp3-file-upload-input::after:disabled, .bp3-dark .bp3-file-upload-input::after.bp3-disabled{
-        background-color:rgba(57, 75, 89, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-upload-input::after:disabled.bp3-active, .bp3-dark .bp3-file-upload-input::after.bp3-disabled.bp3-active{
-          background:rgba(57, 75, 89, 0.7); }
-      .bp3-dark .bp3-file-upload-input::after .bp3-button-spinner .bp3-spinner-head{
-        background:rgba(16, 22, 26, 0.5);
-        stroke:#8a9ba8; }
-    .bp3-dark .bp3-file-upload-input:hover::after{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:active::after{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-.bp3-file-upload-input::after{
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-.bp3-form-group{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:vertical;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:column;
-          flex-direction:column;
-  margin:0 0 15px; }
-  .bp3-form-group label.bp3-label{
-    margin-bottom:5px; }
-  .bp3-form-group .bp3-control{
-    margin-top:7px; }
-  .bp3-form-group .bp3-form-helper-text{
-    color:#5c7080;
-    font-size:12px;
-    margin-top:5px; }
-  .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#106ba3; }
-  .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#0d8050; }
-  .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#bf7326; }
-  .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#c23030; }
-  .bp3-form-group.bp3-inline{
-    -webkit-box-align:start;
-        -ms-flex-align:start;
-            align-items:flex-start;
-    -webkit-box-orient:horizontal;
-    -webkit-box-direction:normal;
-        -ms-flex-direction:row;
-            flex-direction:row; }
-    .bp3-form-group.bp3-inline.bp3-large label.bp3-label{
-      line-height:40px;
-      margin:0 10px 0 0; }
-    .bp3-form-group.bp3-inline label.bp3-label{
-      line-height:30px;
-      margin:0 10px 0 0; }
-  .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-dark .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#48aff0; }
-  .bp3-dark .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#3dcc91; }
-  .bp3-dark .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#ffb366; }
-  .bp3-dark .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#ff7373; }
-  .bp3-dark .bp3-form-group .bp3-form-helper-text{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(167, 182, 194, 0.6) !important; }
-.bp3-input-group{
-  display:block;
-  position:relative; }
-  .bp3-input-group .bp3-input{
-    position:relative;
-    width:100%; }
-    .bp3-input-group .bp3-input:not(:first-child){
-      padding-left:30px; }
-    .bp3-input-group .bp3-input:not(:last-child){
-      padding-right:30px; }
-  .bp3-input-group .bp3-input-action,
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-button,
-  .bp3-input-group > .bp3-icon{
-    position:absolute;
-    top:0; }
-    .bp3-input-group .bp3-input-action:first-child,
-    .bp3-input-group > .bp3-input-left-container:first-child,
-    .bp3-input-group > .bp3-button:first-child,
-    .bp3-input-group > .bp3-icon:first-child{
-      left:0; }
-    .bp3-input-group .bp3-input-action:last-child,
-    .bp3-input-group > .bp3-input-left-container:last-child,
-    .bp3-input-group > .bp3-button:last-child,
-    .bp3-input-group > .bp3-icon:last-child{
-      right:0; }
-  .bp3-input-group .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    margin:3px;
-    padding:0 7px; }
-    .bp3-input-group .bp3-button:empty{
-      padding:0; }
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-icon{
-    z-index:1; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon{
-    color:#5c7080; }
-    .bp3-input-group > .bp3-input-left-container > .bp3-icon:empty,
-    .bp3-input-group > .bp3-icon:empty{
-      font-family:"Icons16", sans-serif;
-      font-size:16px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon,
-  .bp3-input-group .bp3-input-action > .bp3-spinner{
-    margin:7px; }
-  .bp3-input-group .bp3-tag{
-    margin:5px; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus),
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-    color:#5c7080; }
-    .bp3-dark .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus), .bp3-dark
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-      color:#a7b6c2; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large{
-      color:#5c7080; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled,
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled{
-    color:rgba(92, 112, 128, 0.6) !important; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-large{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-input-group.bp3-disabled{
-    cursor:not-allowed; }
-    .bp3-input-group.bp3-disabled .bp3-icon{
-      color:rgba(92, 112, 128, 0.6); }
-  .bp3-input-group.bp3-large .bp3-button{
-    min-height:30px;
-    min-width:30px;
-    margin:5px; }
-  .bp3-input-group.bp3-large > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-large > .bp3-icon,
-  .bp3-input-group.bp3-large .bp3-input-action > .bp3-spinner{
-    margin:12px; }
-  .bp3-input-group.bp3-large .bp3-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input-group.bp3-large .bp3-input[type="search"], .bp3-input-group.bp3-large .bp3-input.bp3-round{
-      padding:0 15px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:first-child){
-      padding-left:40px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:last-child){
-      padding-right:40px; }
-  .bp3-input-group.bp3-small .bp3-button{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small .bp3-tag{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-small > .bp3-icon,
-  .bp3-input-group.bp3-small .bp3-input-action > .bp3-spinner{
-    margin:4px; }
-  .bp3-input-group.bp3-small .bp3-input{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input-group.bp3-small .bp3-input[type="search"], .bp3-input-group.bp3-small .bp3-input.bp3-round{
-      padding:0 12px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:first-child){
-      padding-left:24px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:last-child){
-      padding-right:24px; }
-  .bp3-input-group.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-input-group.bp3-round .bp3-button,
-  .bp3-input-group.bp3-round .bp3-input,
-  .bp3-input-group.bp3-round .bp3-tag{
-    border-radius:30px; }
-  .bp3-dark .bp3-input-group .bp3-icon{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-input-group.bp3-disabled .bp3-icon{
-    color:rgba(167, 182, 194, 0.6); }
-  .bp3-input-group.bp3-intent-primary .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input-group.bp3-intent-primary .bp3-input:disabled, .bp3-input-group.bp3-intent-primary .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-primary > .bp3-icon{
-    color:#106ba3; }
-    .bp3-dark .bp3-input-group.bp3-intent-primary > .bp3-icon{
-      color:#48aff0; }
-  .bp3-input-group.bp3-intent-success .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input-group.bp3-intent-success .bp3-input:disabled, .bp3-input-group.bp3-intent-success .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-success > .bp3-icon{
-    color:#0d8050; }
-    .bp3-dark .bp3-input-group.bp3-intent-success > .bp3-icon{
-      color:#3dcc91; }
-  .bp3-input-group.bp3-intent-warning .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input-group.bp3-intent-warning .bp3-input:disabled, .bp3-input-group.bp3-intent-warning .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-warning > .bp3-icon{
-    color:#bf7326; }
-    .bp3-dark .bp3-input-group.bp3-intent-warning > .bp3-icon{
-      color:#ffb366; }
-  .bp3-input-group.bp3-intent-danger .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input-group.bp3-intent-danger .bp3-input:disabled, .bp3-input-group.bp3-intent-danger .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-danger > .bp3-icon{
-    color:#c23030; }
-    .bp3-dark .bp3-input-group.bp3-intent-danger > .bp3-icon{
-      color:#ff7373; }
-.bp3-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle; }
-  .bp3-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:focus, .bp3-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-input[type="search"], .bp3-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-input:disabled, .bp3-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-input.bp3-large{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input.bp3-large[type="search"], .bp3-input.bp3-large.bp3-round{
-      padding:0 15px; }
-  .bp3-input.bp3-small{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input.bp3-small[type="search"], .bp3-input.bp3-small.bp3-round{
-      padding:0 12px; }
-  .bp3-input.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-dark .bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input:disabled, .bp3-dark .bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-input.bp3-intent-primary{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input.bp3-intent-primary:disabled, .bp3-input.bp3-intent-primary.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-primary{
-      -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary:focus{
-        -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-                box-shadow:inset 0 0 0 1px #137cbd; }
-      .bp3-dark .bp3-input.bp3-intent-primary:disabled, .bp3-dark .bp3-input.bp3-intent-primary.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-success{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input.bp3-intent-success:disabled, .bp3-input.bp3-intent-success.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-success{
-      -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success:focus{
-        -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-                box-shadow:inset 0 0 0 1px #0f9960; }
-      .bp3-dark .bp3-input.bp3-intent-success:disabled, .bp3-dark .bp3-input.bp3-intent-success.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-warning{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input.bp3-intent-warning:disabled, .bp3-input.bp3-intent-warning.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-warning{
-      -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning:focus{
-        -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-                box-shadow:inset 0 0 0 1px #d9822b; }
-      .bp3-dark .bp3-input.bp3-intent-warning:disabled, .bp3-dark .bp3-input.bp3-intent-warning.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-danger{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input.bp3-intent-danger:disabled, .bp3-input.bp3-intent-danger.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-danger{
-      -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger:focus{
-        -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #db3737;
-                box-shadow:inset 0 0 0 1px #db3737; }
-      .bp3-dark .bp3-input.bp3-intent-danger:disabled, .bp3-dark .bp3-input.bp3-intent-danger.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input::-ms-clear{
-    display:none; }
-textarea.bp3-input{
-  max-width:100%;
-  padding:10px; }
-  textarea.bp3-input, textarea.bp3-input.bp3-large, textarea.bp3-input.bp3-small{
-    height:auto;
-    line-height:inherit; }
-  textarea.bp3-input.bp3-small{
-    padding:8px; }
-  .bp3-dark textarea.bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark textarea.bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input:disabled, .bp3-dark textarea.bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-label.bp3-label{
-  display:block;
-  margin-bottom:15px;
-  margin-top:0; }
-  label.bp3-label .bp3-html-select,
-  label.bp3-label .bp3-input,
-  label.bp3-label .bp3-select,
-  label.bp3-label .bp3-slider,
-  label.bp3-label .bp3-popover-wrapper{
-    display:block;
-    margin-top:5px;
-    text-transform:none; }
-  label.bp3-label .bp3-button-group{
-    margin-top:5px; }
-  label.bp3-label .bp3-select select,
-  label.bp3-label .bp3-html-select select{
-    font-weight:400;
-    vertical-align:top;
-    width:100%; }
-  label.bp3-label.bp3-disabled,
-  label.bp3-label.bp3-disabled .bp3-text-muted{
-    color:rgba(92, 112, 128, 0.6); }
-  label.bp3-label.bp3-inline{
-    line-height:30px; }
-    label.bp3-label.bp3-inline .bp3-html-select,
-    label.bp3-label.bp3-inline .bp3-input,
-    label.bp3-label.bp3-inline .bp3-input-group,
-    label.bp3-label.bp3-inline .bp3-select,
-    label.bp3-label.bp3-inline .bp3-popover-wrapper{
-      display:inline-block;
-      margin:0 0 0 5px;
-      vertical-align:top; }
-    label.bp3-label.bp3-inline .bp3-button-group{
-      margin:0 0 0 5px; }
-    label.bp3-label.bp3-inline .bp3-input-group .bp3-input{
-      margin-left:0; }
-    label.bp3-label.bp3-inline.bp3-large{
-      line-height:40px; }
-  label.bp3-label:not(.bp3-inline) .bp3-popover-target{
-    display:block; }
-  .bp3-dark label.bp3-label{
-    color:#f5f8fa; }
-    .bp3-dark label.bp3-label.bp3-disabled,
-    .bp3-dark label.bp3-label.bp3-disabled .bp3-text-muted{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 14px;
-          flex:1 1 14px;
-  min-height:0;
-  padding:0;
-  width:30px; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:first-child{
-    border-radius:0 3px 0 0; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:last-child{
-    border-radius:0 0 3px 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:first-child{
-  border-radius:3px 0 0 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:last-child{
-  border-radius:0 0 0 3px; }
-
-.bp3-numeric-input.bp3-large .bp3-button-group.bp3-vertical > .bp3-button{
-  width:40px; }
-
-form{
-  display:block; }
-.bp3-html-select select,
-.bp3-select select{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border:none;
-  border-radius:3px;
-  cursor:pointer;
-  font-size:14px;
-  -webkit-box-pack:center;
-      -ms-flex-pack:center;
-          justify-content:center;
-  padding:5px 10px;
-  text-align:left;
-  vertical-align:middle;
-  background-color:#f5f8fa;
-  background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-  background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-  color:#182026;
-  -moz-appearance:none;
-  -webkit-appearance:none;
-  border-radius:3px;
-  height:30px;
-  padding:0 25px 0 10px;
-  width:100%; }
-  .bp3-html-select select > *, .bp3-select select > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-html-select select > .bp3-fill, .bp3-select select > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-html-select select::before,
-  .bp3-select select::before, .bp3-html-select select > *, .bp3-select select > *{
-    margin-right:7px; }
-  .bp3-html-select select:empty::before,
-  .bp3-select select:empty::before,
-  .bp3-html-select select > :last-child,
-  .bp3-select select > :last-child{
-    margin-right:0; }
-  .bp3-html-select select:hover,
-  .bp3-select select:hover{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-html-select select:active,
-  .bp3-select select:active, .bp3-html-select select.bp3-active,
-  .bp3-select select.bp3-active{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-html-select select:disabled,
-  .bp3-select select:disabled, .bp3-html-select select.bp3-disabled,
-  .bp3-select select.bp3-disabled{
-    background-color:rgba(206, 217, 224, 0.5);
-    background-image:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    outline:none; }
-    .bp3-html-select select:disabled.bp3-active,
-    .bp3-select select:disabled.bp3-active, .bp3-html-select select:disabled.bp3-active:hover,
-    .bp3-select select:disabled.bp3-active:hover, .bp3-html-select select.bp3-disabled.bp3-active,
-    .bp3-select select.bp3-disabled.bp3-active, .bp3-html-select select.bp3-disabled.bp3-active:hover,
-    .bp3-select select.bp3-disabled.bp3-active:hover{
-      background:rgba(206, 217, 224, 0.7); }
-
-.bp3-html-select.bp3-minimal select,
-.bp3-select.bp3-minimal select{
-  background:none;
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  .bp3-html-select.bp3-minimal select:hover,
-  .bp3-select.bp3-minimal select:hover{
-    background:rgba(167, 182, 194, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026;
-    text-decoration:none; }
-  .bp3-html-select.bp3-minimal select:active,
-  .bp3-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal select.bp3-active,
-  .bp3-select.bp3-minimal select.bp3-active{
-    background:rgba(115, 134, 148, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026; }
-  .bp3-html-select.bp3-minimal select:disabled,
-  .bp3-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal select:disabled:hover,
-  .bp3-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal select.bp3-disabled,
-  .bp3-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal select.bp3-disabled:hover,
-  .bp3-select.bp3-minimal select.bp3-disabled:hover{
-    background:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-    .bp3-html-select.bp3-minimal select:disabled.bp3-active,
-    .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active{
-      background:rgba(115, 134, 148, 0.3); }
-  .bp3-dark .bp3-html-select.bp3-minimal select, .bp3-html-select.bp3-minimal .bp3-dark select,
-  .bp3-dark .bp3-select.bp3-minimal select, .bp3-select.bp3-minimal .bp3-dark select{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover, .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover{
-      background:rgba(138, 155, 168, 0.15); }
-    .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:rgba(138, 155, 168, 0.3);
-      color:#f5f8fa; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal .bp3-dark select:disabled,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled, .bp3-select.bp3-minimal .bp3-dark select:disabled, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled:hover, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover{
-      background:none;
-      color:rgba(167, 182, 194, 0.6);
-      cursor:not-allowed; }
-      .bp3-dark .bp3-html-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active{
-        background:rgba(138, 155, 168, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-primary,
-  .bp3-select.bp3-minimal select.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover{
-      background:rgba(19, 124, 189, 0.15);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:rgba(19, 124, 189, 0.3);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled{
-      background:none;
-      color:rgba(16, 107, 163, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active{
-        background:rgba(19, 124, 189, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-      stroke:#106ba3; }
-    .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary{
-      color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.2);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(72, 175, 240, 0.5); }
-        .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-  .bp3-html-select.bp3-minimal select.bp3-intent-success,
-  .bp3-select.bp3-minimal select.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:none;
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-    color:#f5f8fa; }
-  .bp3-dark .bp3-running-text table tbody tr:first-child th, .bp3-running-text .bp3-dark table tbody tr:first-child th, .bp3-dark table.bp3-html-table tbody tr:first-child th,
-  .bp3-dark .bp3-running-text table tbody tr:first-child td,
-  .bp3-running-text .bp3-dark table tbody tr:first-child td,
-  .bp3-dark table.bp3-html-table tbody tr:first-child td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-
-table.bp3-html-table.bp3-html-table-condensed th,
-table.bp3-html-table.bp3-html-table-condensed td, table.bp3-html-table.bp3-small th,
-table.bp3-html-table.bp3-small td{
-  padding-bottom:6px;
-  padding-top:6px; }
-
-table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-  background:rgba(191, 204, 214, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-  -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-  -webkit-box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15); }
-  table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-    -webkit-box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-interactive tbody tr:hover td{
-  background-color:rgba(191, 204, 214, 0.3);
-  cursor:pointer; }
-
-table.bp3-html-table.bp3-interactive tbody tr:active td{
-  background-color:rgba(191, 204, 214, 0.4); }
-
-.bp3-dark table.bp3-html-table{ }
-  .bp3-dark table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-    background:rgba(92, 112, 128, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-      -webkit-box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15);
-              box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:first-child{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:hover td{
-    background-color:rgba(92, 112, 128, 0.3);
-    cursor:pointer; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:active td{
-    background-color:rgba(92, 112, 128, 0.4); }
-
-.bp3-key-combo{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center; }
-  .bp3-key-combo > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-key-combo > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-key-combo::before,
-  .bp3-key-combo > *{
-    margin-right:5px; }
-  .bp3-key-combo:empty::before,
-  .bp3-key-combo > :last-child{
-    margin-right:0; }
-
-.bp3-hotkey-dialog{
-  padding-bottom:0;
-  top:40px; }
-  .bp3-hotkey-dialog .bp3-dialog-body{
-    margin:0;
-    padding:0; }
-  .bp3-hotkey-dialog .bp3-hotkey-label{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1; }
-
-.bp3-hotkey-column{
-  margin:auto;
-  max-height:80vh;
-  overflow-y:auto;
-  padding:30px; }
-  .bp3-hotkey-column .bp3-heading{
-    margin-bottom:20px; }
-    .bp3-hotkey-column .bp3-heading:not(:first-child){
-      margin-top:40px; }
-
-.bp3-hotkey{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-pack:justify;
-      -ms-flex-pack:justify;
-          justify-content:space-between;
-  margin-left:0;
-  margin-right:0; }
-  .bp3-hotkey:not(:last-child){
-    margin-bottom:10px; }
-.bp3-icon{
-  display:inline-block;
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  vertical-align:text-bottom; }
-  .bp3-icon:not(:empty)::before{
-    content:"" !important;
-    content:unset !important; }
-  .bp3-icon > svg{
-    display:block; }
-    .bp3-icon > svg:not([fill]){
-      fill:currentColor; }
-
-.bp3-icon.bp3-intent-primary, .bp3-icon-standard.bp3-intent-primary, .bp3-icon-large.bp3-intent-primary{
-  color:#106ba3; }
-  .bp3-dark .bp3-icon.bp3-intent-primary, .bp3-dark .bp3-icon-standard.bp3-intent-primary, .bp3-dark .bp3-icon-large.bp3-intent-primary{
-    color:#48aff0; }
-
-.bp3-icon.bp3-intent-success, .bp3-icon-standard.bp3-intent-success, .bp3-icon-large.bp3-intent-success{
-  color:#0d8050; }
-  .bp3-dark .bp3-icon.bp3-intent-success, .bp3-dark .bp3-icon-standard.bp3-intent-success, .bp3-dark .bp3-icon-large.bp3-intent-success{
-    color:#3dcc91; }
-
-.bp3-icon.bp3-intent-warning, .bp3-icon-standard.bp3-intent-warning, .bp3-icon-large.bp3-intent-warning{
-  color:#bf7326; }
-  .bp3-dark .bp3-icon.bp3-intent-warning, .bp3-dark .bp3-icon-standard.bp3-intent-warning, .bp3-dark .bp3-icon-large.bp3-intent-warning{
-    color:#ffb366; }
-
-.bp3-icon.bp3-intent-danger, .bp3-icon-standard.bp3-intent-danger, .bp3-icon-large.bp3-intent-danger{
-  color:#c23030; }
-  .bp3-dark .bp3-icon.bp3-intent-danger, .bp3-dark .bp3-icon-standard.bp3-intent-danger, .bp3-dark .bp3-icon-large.bp3-intent-danger{
-    color:#ff7373; }
-
-span.bp3-icon-standard{
-  font-family:"Icons16", sans-serif;
-  font-size:16px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon-large{
-  font-family:"Icons20", sans-serif;
-  font-size:20px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon:empty{
-  font-family:"Icons20";
-  font-size:inherit;
-  font-style:normal;
-  font-weight:400;
-  line-height:1; }
-  span.bp3-icon:empty::before{
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased; }
-
-.bp3-icon-add::before{
-  content:""; }
-
-.bp3-icon-add-column-left::before{
-  content:""; }
-
-.bp3-icon-add-column-right::before{
-  content:""; }
-
-.bp3-icon-add-row-bottom::before{
-  content:""; }
-
-.bp3-icon-add-row-top::before{
-  content:""; }
-
-.bp3-icon-add-to-artifact::before{
-  content:""; }
-
-.bp3-icon-add-to-folder::before{
-  content:""; }
-
-.bp3-icon-airplane::before{
-  content:""; }
-
-.bp3-icon-align-center::before{
-  content:""; }
-
-.bp3-icon-align-justify::before{
-  content:""; }
-
-.bp3-icon-align-left::before{
-  content:""; }
-
-.bp3-icon-align-right::before{
-  content:""; }
-
-.bp3-icon-alignment-bottom::before{
-  content:""; }
-
-.bp3-icon-alignment-horizontal-center::before{
-  content:""; }
-
-.bp3-icon-alignment-left::before{
-  content:""; }
-
-.bp3-icon-alignment-right::before{
-  content:""; }
-
-.bp3-icon-alignment-top::before{
-  content:""; }
-
-.bp3-icon-alignment-vertical-center::before{
-  content:""; }
-
-.bp3-icon-annotation::before{
-  content:""; }
-
-.bp3-icon-application::before{
-  content:""; }
-
-.bp3-icon-applications::before{
-  content:""; }
-
-.bp3-icon-archive::before{
-  content:""; }
-
-.bp3-icon-arrow-bottom-left::before{
-  content:"↙"; }
-
-.bp3-icon-arrow-bottom-right::before{
-  content:"↘"; }
-
-.bp3-icon-arrow-down::before{
-  content:"↓"; }
-
-.bp3-icon-arrow-left::before{
-  content:"←"; }
-
-.bp3-icon-arrow-right::before{
-  content:"→"; }
-
-.bp3-icon-arrow-top-left::before{
-  content:"↖"; }
-
-.bp3-icon-arrow-top-right::before{
-  content:"↗"; }
-
-.bp3-icon-arrow-up::before{
-  content:"↑"; }
-
-.bp3-icon-arrows-horizontal::before{
-  content:"↔"; }
-
-.bp3-icon-arrows-vertical::before{
-  content:"↕"; }
-
-.bp3-icon-asterisk::before{
-  content:"*"; }
-
-.bp3-icon-automatic-updates::before{
-  content:""; }
-
-.bp3-icon-badge::before{
-  content:""; }
-
-.bp3-icon-ban-circle::before{
-  content:""; }
-
-.bp3-icon-bank-account::before{
-  content:""; }
-
-.bp3-icon-barcode::before{
-  content:""; }
-
-.bp3-icon-blank::before{
-  content:""; }
-
-.bp3-icon-blocked-person::before{
-  content:""; }
-
-.bp3-icon-bold::before{
-  content:""; }
-
-.bp3-icon-book::before{
-  content:""; }
-
-.bp3-icon-bookmark::before{
-  content:""; }
-
-.bp3-icon-box::before{
-  content:""; }
-
-.bp3-icon-briefcase::before{
-  content:""; }
-
-.bp3-icon-bring-data::before{
-  content:""; }
-
-.bp3-icon-build::before{
-  content:""; }
-
-.bp3-icon-calculator::before{
-  content:""; }
-
-.bp3-icon-calendar::before{
-  content:""; }
-
-.bp3-icon-camera::before{
-  content:""; }
-
-.bp3-icon-caret-down::before{
-  content:"⌄"; }
-
-.bp3-icon-caret-left::before{
-  content:"〈"; }
-
-.bp3-icon-caret-right::before{
-  content:"〉"; }
-
-.bp3-icon-caret-up::before{
-  content:"⌃"; }
-
-.bp3-icon-cell-tower::before{
-  content:""; }
-
-.bp3-icon-changes::before{
-  content:""; }
-
-.bp3-icon-chart::before{
-  content:""; }
-
-.bp3-icon-chat::before{
-  content:""; }
-
-.bp3-icon-chevron-backward::before{
-  content:""; }
-
-.bp3-icon-chevron-down::before{
-  content:""; }
-
-.bp3-icon-chevron-forward::before{
-  content:""; }
-
-.bp3-icon-chevron-left::before{
-  content:""; }
-
-.bp3-icon-chevron-right::before{
-  content:""; }
-
-.bp3-icon-chevron-up::before{
-  content:""; }
-
-.bp3-icon-circle::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-down::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-left::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-right::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-circle-arrow-up::before{
-  content:""; }
+.jp-Collapse {
+  display: flex;
+  flex-direction: column;
+  align-items: stretch;
+}
 
-.bp3-icon-citation::before{
-  content:""; }
+.jp-Collapse-header {
+  padding: 1px 12px;
+  background-color: var(--jp-layout-color1);
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  align-items: center;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  text-transform: uppercase;
+  user-select: none;
+}
 
-.bp3-icon-clean::before{
-  content:""; }
+.jp-Collapser-icon {
+  height: 16px;
+}
 
-.bp3-icon-clipboard::before{
-  content:""; }
+.jp-Collapse-header-collapsed .jp-Collapser-icon {
+  transform: rotate(-90deg);
+  margin: auto 0;
+}
 
-.bp3-icon-cloud::before{
-  content:"☁"; }
+.jp-Collapser-title {
+  line-height: 25px;
+}
 
-.bp3-icon-cloud-download::before{
-  content:""; }
+.jp-Collapse-contents {
+  padding: 0 12px;
+  background-color: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
+}
 
-.bp3-icon-cloud-upload::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-code::before{
-  content:""; }
+/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
 
-.bp3-icon-code-block::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-cog::before{
-  content:""; }
+/* Icons urls */
 
-.bp3-icon-collapse-all::before{
-  content:""; }
-
-.bp3-icon-column-layout::before{
-  content:""; }
-
-.bp3-icon-comment::before{
-  content:""; }
+:root {
+  --jp-icon-add-above: url(data:image/svg+xml;base64,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);
+  --jp-icon-add-below: url(data:image/svg+xml;base64,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);
+  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-bell: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug: url(data:image/svg+xml;base64,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);
+  --jp-icon-build: url(data:image/svg+xml;base64,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);
+  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
+  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik05IDE2LjE3TDQuODMgMTJsLTEuNDIgMS40MUw5IDE5IDIxIDdsLTEuNDEtMS40MXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-circle: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iOSIgY3k9IjkiIHI9IjgiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-clear: url(data:image/svg+xml;base64,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);
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+  --jp-icon-code-check: url(data:image/svg+xml;base64,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);
+  --jp-icon-code: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTExLjQgMTguNkw2LjggMTRMMTEuNCA5LjRMMTAgOEw0IDE0TDEwIDIwTDExLjQgMTguNlpNMTYuNiAxOC42TDIxLjIgMTRMMTYuNiA5LjRMMTggOEwyNCAxNEwxOCAyMEwxNi42IDE4LjZWMTguNloiLz4KCTwvZz4KPC9zdmc+Cg==);
+  --jp-icon-collapse-all: url(data:image/svg+xml;base64,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);
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+  --jp-icon-copyright: url(data:image/svg+xml;base64,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);
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+  --jp-icon-ellipses: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iNSIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxMiIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxOSIgY3k9IjEyIiByPSIyIi8+CiAgPC9nPgo8L3N2Zz4K);
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+  --jp-icon-extension: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwLjUgMTFIMTlWN2MwLTEuMS0uOS0yLTItMmgtNFYzLjVDMTMgMi4xMiAxMS44OCAxIDEwLjUgMVM4IDIuMTIgOCAzLjVWNUg0Yy0xLjEgMC0xLjk5LjktMS45OSAydjMuOEgzLjVjMS40OSAwIDIuNyAxLjIxIDIuNyAyLjdzLTEuMjEgMi43LTIuNyAyLjdIMlYyMGMwIDEuMS45IDIgMiAyaDMuOHYtMS41YzAtMS40OSAxLjIxLTIuNyAyLjctMi43IDEuNDkgMCAyLjcgMS4yMSAyLjcgMi43VjIySDE3YzEuMSAwIDItLjkgMi0ydi00aDEuNWMxLjM4IDAgMi41LTEuMTIgMi41LTIuNVMyMS44OCAxMSAyMC41IDExeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-fast-forward: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIyNCIgaGVpZ2h0PSIyNCIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTQgMThsOC41LTZMNCA2djEyem05LTEydjEybDguNS02TDEzIDZ6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-file-upload: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTZoNnYtNmg0bC03LTctNyA3aDR6bS00IDJoMTR2Mkg1eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-file: url(data:image/svg+xml;base64,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);
+  --jp-icon-filter-dot: url(data:image/svg+xml;base64,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);
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+  --jp-icon-filter: url(data:image/svg+xml;base64,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);
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+  --jp-icon-home: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjRweCIgdmlld0JveD0iMCAwIDI0IDI0IiB3aWR0aD0iMjRweCIgZmlsbD0iIzAwMDAwMCI+CiAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPjxwYXRoIGNsYXNzPSJqcC1pY29uMyBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xMCAyMHYtNmg0djZoNXYtOGgzTDEyIDMgMiAxMmgzdjh6Ii8+Cjwvc3ZnPgo=);
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+  --jp-icon-info: url(data:image/svg+xml;base64,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);
+  --jp-icon-inspector: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaW5zcGVjdG9yLWljb24tY29sb3IganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY2YzAtMS4xLS45LTItMi0yem0tNSAxNEg0di00aDExdjR6bTAtNUg0VjloMTF2NHptNSA1aC00VjloNHY5eiIvPgo8L3N2Zz4K);
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+  --jp-icon-kernel: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiIgZmlsbD0iIzYxNjE2MSIgZD0iTTE1IDlIOXY2aDZWOXptLTIgNGgtMnYtMmgydjJ6bTgtMlY5aC0yVjdjMC0xLjEtLjktMi0yLTJoLTJWM2gtMnYyaC0yVjNIOXYySDdjLTEuMSAwLTIgLjktMiAydjJIM3YyaDJ2MkgzdjJoMnYyYzAgMS4xLjkgMiAyIDJoMnYyaDJ2LTJoMnYyaDJ2LTJoMmMxLjEgMCAyLS45IDItMnYtMmgydi0yaC0ydi0yaDJ6bS00IDZIN1Y3aDEwdjEweiIvPgo8L3N2Zz4K);
+  --jp-icon-keyboard: url(data:image/svg+xml;base64,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);
+  --jp-icon-launch: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMzIgMzIiIHdpZHRoPSIzMiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yNiwyOEg2YTIuMDAyNywyLjAwMjcsMCwwLDEtMi0yVjZBMi4wMDI3LDIuMDAyNywwLDAsMSw2LDRIMTZWNkg2VjI2SDI2VjE2aDJWMjZBMi4wMDI3LDIuMDAyNywwLDAsMSwyNiwyOFoiLz4KICAgIDxwb2x5Z29uIHBvaW50cz0iMjAgMiAyMCA0IDI2LjU4NiA0IDE4IDEyLjU4NiAxOS40MTQgMTQgMjggNS40MTQgMjggMTIgMzAgMTIgMzAgMiAyMCAyIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-launcher: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkgMTlINVY1aDdWM0g1YTIgMiAwIDAwLTIgMnYxNGEyIDIgMCAwMDIgMmgxNGMxLjEgMCAyLS45IDItMnYtN2gtMnY3ek0xNCAzdjJoMy41OWwtOS44MyA5LjgzIDEuNDEgMS40MUwxOSA2LjQxVjEwaDJWM2gtN3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-line-form: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGZpbGw9IndoaXRlIiBkPSJNNS44OCA0LjEyTDEzLjc2IDEybC03Ljg4IDcuODhMOCAyMmwxMC0xMEw4IDJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-link: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTMuOSAxMmMwLTEuNzEgMS4zOS0zLjEgMy4xLTMuMWg0VjdIN2MtMi43NiAwLTUgMi4yNC01IDVzMi4yNCA1IDUgNWg0di0xLjlIN2MtMS43MSAwLTMuMS0xLjM5LTMuMS0zLjF6TTggMTNoOHYtMkg4djJ6bTktNmgtNHYxLjloNGMxLjcxIDAgMy4xIDEuMzkgMy4xIDMuMXMtMS4zOSAzLjEtMy4xIDMuMWgtNFYxN2g0YzIuNzYgMCA1LTIuMjQgNS01cy0yLjI0LTUtNS01eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xOSA1djE0SDVWNWgxNG0xLjEtMkgzLjljLS41IDAtLjkuNC0uOS45djE2LjJjMCAuNC40LjkuOS45aDE2LjJjLjQgMCAuOS0uNS45LS45VjMuOWMwLS41LS41LS45LS45LS45ek0xMSA3aDZ2MmgtNlY3em0wIDRoNnYyaC02di0yem0wIDRoNnYyaC02ek03IDdoMnYySDd6bTAgNGgydjJIN3ptMCA0aDJ2Mkg3eiIvPgo8L3N2Zz4K);
+  --jp-icon-markdown: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-down: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-up: url(data:image/svg+xml;base64,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);
+  --jp-icon-new-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwIDZoLThsLTItMkg0Yy0xLjExIDAtMS45OS44OS0xLjk5IDJMMiAxOGMwIDEuMTEuODkgMiAyIDJoMTZjMS4xMSAwIDItLjg5IDItMlY4YzAtMS4xMS0uODktMi0yLTJ6bS0xIDhoLTN2M2gtMnYtM2gtM3YtMmgzVjloMnYzaDN2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-not-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-notebook: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtbm90ZWJvb2staWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiNFRjZDMDAiPgogICAgPHBhdGggZD0iTTE4LjcgMy4zdjE1LjRIMy4zVjMuM2gxNS40bTEuNS0xLjVIMS44djE4LjNoMTguM2wuMS0xOC4zeiIvPgogICAgPHBhdGggZD0iTTE2LjUgMTYuNWwtNS40LTQuMy01LjYgNC4zdi0xMWgxMXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-numbering: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTQgMTlINlYxOS41SDVWMjAuNUg2VjIxSDRWMjJIN1YxOEg0VjE5Wk01IDEwSDZWNkg0VjdINVYxMFpNNCAxM0g1LjhMNCAxNS4xVjE2SDdWMTVINS4yTDcgMTIuOVYxMkg0VjEzWk05IDdWOUgyM1Y3SDlaTTkgMjFIMjNWMTlIOVYyMVpNOSAxNUgyM1YxM0g5VjE1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-offline-bolt: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDIuMDJjLTUuNTEgMC05Ljk4IDQuNDctOS45OCA5Ljk4czQuNDcgOS45OCA5Ljk4IDkuOTggOS45OC00LjQ3IDkuOTgtOS45OFMxNy41MSAyLjAyIDEyIDIuMDJ6TTExLjQ4IDIwdi02LjI2SDhMMTMgNHY2LjI2aDMuMzVMMTEuNDggMjB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-palette: url(data:image/svg+xml;base64,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);
+  --jp-icon-paste: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE5IDJoLTQuMThDMTQuNC44NCAxMy4zIDAgMTIgMGMtMS4zIDAtMi40Ljg0LTIuODIgMkg1Yy0xLjEgMC0yIC45LTIgMnYxNmMwIDEuMS45IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjRjMC0xLjEtLjktMi0yLTJ6bS03IDBjLjU1IDAgMSAuNDUgMSAxcy0uNDUgMS0xIDEtMS0uNDUtMS0xIC40NS0xIDEtMXptNyAxOEg1VjRoMnYzaDEwVjRoMnYxNnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-pdf: url(data:image/svg+xml;base64,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);
+  --jp-icon-python: url(data:image/svg+xml;base64,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);
+  --jp-icon-r-kernel: url(data:image/svg+xml;base64,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);
+  --jp-icon-react: url(data:image/svg+xml;base64,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);
+  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-regex: url(data:image/svg+xml;base64,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);
+  --jp-icon-run: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTggNXYxNGwxMS03eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-search: url(data:image/svg+xml;base64,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);
+  --jp-icon-settings: url(data:image/svg+xml;base64,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);
+  --jp-icon-share: url(data:image/svg+xml;base64,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);
+  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-tag: url(data:image/svg+xml;base64,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);
+  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
+  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtdGV4dC1lZGl0b3ItaWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xNSAxNUgzdjJoMTJ2LTJ6bTAtOEgzdjJoMTJWN3pNMyAxM2gxOHYtMkgzdjJ6bTAgOGgxOHYtMkgzdjJ6TTMgM3YyaDE4VjNIM3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-toc: url(data:image/svg+xml;base64,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);
+  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-user: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE2IDdhNCA0IDAgMTEtOCAwIDQgNCAwIDAxOCAwek0xMiAxNGE3IDcgMCAwMC03IDdoMTRhNyA3IDAgMDAtNy03eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-users: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjQiIGhlaWdodD0iMjQiIHZlcnNpb249IjEuMSIgdmlld0JveD0iMCAwIDM2IDI0IiB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciPgogPGcgY2xhc3M9ImpwLWljb24zIiB0cmFuc2Zvcm09Im1hdHJpeCgxLjczMjcgMCAwIDEuNzMyNyAtMy42MjgyIC4wOTk1NzcpIiBmaWxsPSIjNjE2MTYxIj4KICA8cGF0aCB0cmFuc2Zvcm09Im1hdHJpeCgxLjUsMCwwLDEuNSwwLC02KSIgZD0ibTEyLjE4NiA3LjUwOThjLTEuMDUzNSAwLTEuOTc1NyAwLjU2NjUtMi40Nzg1IDEuNDEwMiAwLjc1MDYxIDAuMzEyNzcgMS4zOTc0IDAuODI2NDggMS44NzMgMS40NzI3aDMuNDg2M2MwLTEuNTkyLTEuMjg4OS0yLjg4MjgtMi44ODA5LTIuODgyOHoiLz4KICA8cGF0aCBkPSJtMjAuNDY1IDIuMzg5NWEyLjE4ODUgMi4xODg1IDAgMCAxLTIuMTg4NCAyLjE4ODUgMi4xODg1IDIuMTg4NSAwIDAgMS0yLjE4ODUtMi4xODg1IDIuMTg4NSAyLjE4ODUgMCAwIDEgMi4xODg1LTIuMTg4NSAyLjE4ODUgMi4xODg1IDAgMCAxIDIuMTg4NCAyLjE4ODV6Ii8+CiAgPHBhdGggdHJhbnNmb3JtPSJtYXRyaXgoMS41LDAsMCwxLjUsMCwtNikiIGQ9Im0zLjU4OTggOC40MjE5Yy0xLjExMjYgMC0yLjAxMzcgMC45MDExMS0yLjAxMzcgMi4wMTM3aDIuODE0NWMwLjI2Nzk3LTAuMzczMDkgMC41OTA3LTAuNzA0MzUgMC45NTg5OC0wLjk3ODUyLTAuMzQ0MzMtMC42MTY4OC0xLjAwMzEtMS4wMzUyLTEuNzU5OC0xLjAzNTJ6Ii8+CiAgPHBhdGggZD0ibTYuOTE1NCA0LjYyM2ExLjUyOTQgMS41Mjk0IDAgMCAxLTEuNTI5NCAxLjUyOTQgMS41Mjk0IDEuNTI5NCAwIDAgMS0xLjUyOTQtMS41Mjk0IDEuNTI5NCAxLjUyOTQgMCAwIDEgMS41Mjk0LTEuNTI5NCAxLjUyOTQgMS41Mjk0IDAgMCAxIDEuNTI5NCAxLjUyOTR6Ii8+CiAgPHBhdGggZD0ibTYuMTM1IDEzLjUzNWMwLTMuMjM5MiAyLjYyNTktNS44NjUgNS44NjUtNS44NjUgMy4yMzkyIDAgNS44NjUgMi42MjU5IDUuODY1IDUuODY1eiIvPgogIDxjaXJjbGUgY3g9IjEyIiBjeT0iMy43Njg1IiByPSIyLjk2ODUiLz4KIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-word: url(data:image/svg+xml;base64,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);
+  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+}
 
-.bp3-icon-comparison::before{
-  content:""; }
+/* Icon CSS class declarations */
 
-.bp3-icon-compass::before{
-  content:""; }
+.jp-AddAboveIcon {
+  background-image: var(--jp-icon-add-above);
+}
 
-.bp3-icon-compressed::before{
-  content:""; }
+.jp-AddBelowIcon {
+  background-image: var(--jp-icon-add-below);
+}
 
-.bp3-icon-confirm::before{
-  content:""; }
+.jp-AddIcon {
+  background-image: var(--jp-icon-add);
+}
 
-.bp3-icon-console::before{
-  content:""; }
+.jp-BellIcon {
+  background-image: var(--jp-icon-bell);
+}
 
-.bp3-icon-contrast::before{
-  content:""; }
+.jp-BugDotIcon {
+  background-image: var(--jp-icon-bug-dot);
+}
 
-.bp3-icon-control::before{
-  content:""; }
+.jp-BugIcon {
+  background-image: var(--jp-icon-bug);
+}
 
-.bp3-icon-credit-card::before{
-  content:""; }
+.jp-BuildIcon {
+  background-image: var(--jp-icon-build);
+}
 
-.bp3-icon-cross::before{
-  content:"✗"; }
+.jp-CaretDownEmptyIcon {
+  background-image: var(--jp-icon-caret-down-empty);
+}
 
-.bp3-icon-crown::before{
-  content:""; }
+.jp-CaretDownEmptyThinIcon {
+  background-image: var(--jp-icon-caret-down-empty-thin);
+}
 
-.bp3-icon-cube::before{
-  content:""; }
+.jp-CaretDownIcon {
+  background-image: var(--jp-icon-caret-down);
+}
 
-.bp3-icon-cube-add::before{
-  content:""; }
+.jp-CaretLeftIcon {
+  background-image: var(--jp-icon-caret-left);
+}
 
-.bp3-icon-cube-remove::before{
-  content:""; }
+.jp-CaretRightIcon {
+  background-image: var(--jp-icon-caret-right);
+}
 
-.bp3-icon-curved-range-chart::before{
-  content:""; }
+.jp-CaretUpEmptyThinIcon {
+  background-image: var(--jp-icon-caret-up-empty-thin);
+}
 
-.bp3-icon-cut::before{
-  content:""; }
+.jp-CaretUpIcon {
+  background-image: var(--jp-icon-caret-up);
+}
 
-.bp3-icon-dashboard::before{
-  content:""; }
+.jp-CaseSensitiveIcon {
+  background-image: var(--jp-icon-case-sensitive);
+}
 
-.bp3-icon-data-lineage::before{
-  content:""; }
+.jp-CheckIcon {
+  background-image: var(--jp-icon-check);
+}
 
-.bp3-icon-database::before{
-  content:""; }
+.jp-CircleEmptyIcon {
+  background-image: var(--jp-icon-circle-empty);
+}
 
-.bp3-icon-delete::before{
-  content:""; }
+.jp-CircleIcon {
+  background-image: var(--jp-icon-circle);
+}
 
-.bp3-icon-delta::before{
-  content:"Δ"; }
+.jp-ClearIcon {
+  background-image: var(--jp-icon-clear);
+}
 
-.bp3-icon-derive-column::before{
-  content:""; }
+.jp-CloseIcon {
+  background-image: var(--jp-icon-close);
+}
 
-.bp3-icon-desktop::before{
-  content:""; }
+.jp-CodeCheckIcon {
+  background-image: var(--jp-icon-code-check);
+}
 
-.bp3-icon-diagnosis::before{
-  content:""; }
+.jp-CodeIcon {
+  background-image: var(--jp-icon-code);
+}
 
-.bp3-icon-diagram-tree::before{
-  content:""; }
+.jp-CollapseAllIcon {
+  background-image: var(--jp-icon-collapse-all);
+}
 
-.bp3-icon-direction-left::before{
-  content:""; }
+.jp-ConsoleIcon {
+  background-image: var(--jp-icon-console);
+}
 
-.bp3-icon-direction-right::before{
-  content:""; }
+.jp-CopyIcon {
+  background-image: var(--jp-icon-copy);
+}
 
-.bp3-icon-disable::before{
-  content:""; }
+.jp-CopyrightIcon {
+  background-image: var(--jp-icon-copyright);
+}
 
-.bp3-icon-document::before{
-  content:""; }
+.jp-CutIcon {
+  background-image: var(--jp-icon-cut);
+}
 
-.bp3-icon-document-open::before{
-  content:""; }
+.jp-DeleteIcon {
+  background-image: var(--jp-icon-delete);
+}
 
-.bp3-icon-document-share::before{
-  content:""; }
+.jp-DownloadIcon {
+  background-image: var(--jp-icon-download);
+}
 
-.bp3-icon-dollar::before{
-  content:"$"; }
+.jp-DuplicateIcon {
+  background-image: var(--jp-icon-duplicate);
+}
 
-.bp3-icon-dot::before{
-  content:"•"; }
+.jp-EditIcon {
+  background-image: var(--jp-icon-edit);
+}
 
-.bp3-icon-double-caret-horizontal::before{
-  content:""; }
+.jp-EllipsesIcon {
+  background-image: var(--jp-icon-ellipses);
+}
 
-.bp3-icon-double-caret-vertical::before{
-  content:""; }
+.jp-ErrorIcon {
+  background-image: var(--jp-icon-error);
+}
 
-.bp3-icon-double-chevron-down::before{
-  content:""; }
+.jp-ExpandAllIcon {
+  background-image: var(--jp-icon-expand-all);
+}
 
-.bp3-icon-double-chevron-left::before{
-  content:""; }
+.jp-ExtensionIcon {
+  background-image: var(--jp-icon-extension);
+}
 
-.bp3-icon-double-chevron-right::before{
-  content:""; }
+.jp-FastForwardIcon {
+  background-image: var(--jp-icon-fast-forward);
+}
 
-.bp3-icon-double-chevron-up::before{
-  content:""; }
+.jp-FileIcon {
+  background-image: var(--jp-icon-file);
+}
 
-.bp3-icon-doughnut-chart::before{
-  content:""; }
+.jp-FileUploadIcon {
+  background-image: var(--jp-icon-file-upload);
+}
 
-.bp3-icon-download::before{
-  content:""; }
+.jp-FilterDotIcon {
+  background-image: var(--jp-icon-filter-dot);
+}
 
-.bp3-icon-drag-handle-horizontal::before{
-  content:""; }
+.jp-FilterIcon {
+  background-image: var(--jp-icon-filter);
+}
 
-.bp3-icon-drag-handle-vertical::before{
-  content:""; }
+.jp-FilterListIcon {
+  background-image: var(--jp-icon-filter-list);
+}
 
-.bp3-icon-draw::before{
-  content:""; }
+.jp-FolderFavoriteIcon {
+  background-image: var(--jp-icon-folder-favorite);
+}
 
-.bp3-icon-drive-time::before{
-  content:""; }
+.jp-FolderIcon {
+  background-image: var(--jp-icon-folder);
+}
 
-.bp3-icon-duplicate::before{
-  content:""; }
+.jp-HomeIcon {
+  background-image: var(--jp-icon-home);
+}
 
-.bp3-icon-edit::before{
-  content:"✎"; }
+.jp-Html5Icon {
+  background-image: var(--jp-icon-html5);
+}
 
-.bp3-icon-eject::before{
-  content:"⏏"; }
+.jp-ImageIcon {
+  background-image: var(--jp-icon-image);
+}
 
-.bp3-icon-endorsed::before{
-  content:""; }
+.jp-InfoIcon {
+  background-image: var(--jp-icon-info);
+}
 
-.bp3-icon-envelope::before{
-  content:"✉"; }
+.jp-InspectorIcon {
+  background-image: var(--jp-icon-inspector);
+}
 
-.bp3-icon-equals::before{
-  content:""; }
+.jp-JsonIcon {
+  background-image: var(--jp-icon-json);
+}
 
-.bp3-icon-eraser::before{
-  content:""; }
+.jp-JuliaIcon {
+  background-image: var(--jp-icon-julia);
+}
 
-.bp3-icon-error::before{
-  content:""; }
+.jp-JupyterFaviconIcon {
+  background-image: var(--jp-icon-jupyter-favicon);
+}
 
-.bp3-icon-euro::before{
-  content:"€"; }
+.jp-JupyterIcon {
+  background-image: var(--jp-icon-jupyter);
+}
 
-.bp3-icon-exchange::before{
-  content:""; }
+.jp-JupyterlabWordmarkIcon {
+  background-image: var(--jp-icon-jupyterlab-wordmark);
+}
 
-.bp3-icon-exclude-row::before{
-  content:""; }
+.jp-KernelIcon {
+  background-image: var(--jp-icon-kernel);
+}
 
-.bp3-icon-expand-all::before{
-  content:""; }
+.jp-KeyboardIcon {
+  background-image: var(--jp-icon-keyboard);
+}
 
-.bp3-icon-export::before{
-  content:""; }
+.jp-LaunchIcon {
+  background-image: var(--jp-icon-launch);
+}
 
-.bp3-icon-eye-off::before{
-  content:""; }
+.jp-LauncherIcon {
+  background-image: var(--jp-icon-launcher);
+}
 
-.bp3-icon-eye-on::before{
-  content:""; }
+.jp-LineFormIcon {
+  background-image: var(--jp-icon-line-form);
+}
 
-.bp3-icon-eye-open::before{
-  content:""; }
+.jp-LinkIcon {
+  background-image: var(--jp-icon-link);
+}
 
-.bp3-icon-fast-backward::before{
-  content:""; }
+.jp-ListIcon {
+  background-image: var(--jp-icon-list);
+}
 
-.bp3-icon-fast-forward::before{
-  content:""; }
+.jp-MarkdownIcon {
+  background-image: var(--jp-icon-markdown);
+}
 
-.bp3-icon-feed::before{
-  content:""; }
+.jp-MoveDownIcon {
+  background-image: var(--jp-icon-move-down);
+}
 
-.bp3-icon-feed-subscribed::before{
-  content:""; }
+.jp-MoveUpIcon {
+  background-image: var(--jp-icon-move-up);
+}
 
-.bp3-icon-film::before{
-  content:""; }
+.jp-NewFolderIcon {
+  background-image: var(--jp-icon-new-folder);
+}
 
-.bp3-icon-filter::before{
-  content:""; }
+.jp-NotTrustedIcon {
+  background-image: var(--jp-icon-not-trusted);
+}
 
-.bp3-icon-filter-keep::before{
-  content:""; }
+.jp-NotebookIcon {
+  background-image: var(--jp-icon-notebook);
+}
 
-.bp3-icon-filter-list::before{
-  content:""; }
+.jp-NumberingIcon {
+  background-image: var(--jp-icon-numbering);
+}
 
-.bp3-icon-filter-open::before{
-  content:""; }
+.jp-OfflineBoltIcon {
+  background-image: var(--jp-icon-offline-bolt);
+}
 
-.bp3-icon-filter-remove::before{
-  content:""; }
+.jp-PaletteIcon {
+  background-image: var(--jp-icon-palette);
+}
 
-.bp3-icon-flag::before{
-  content:"⚑"; }
+.jp-PasteIcon {
+  background-image: var(--jp-icon-paste);
+}
 
-.bp3-icon-flame::before{
-  content:""; }
+.jp-PdfIcon {
+  background-image: var(--jp-icon-pdf);
+}
 
-.bp3-icon-flash::before{
-  content:""; }
+.jp-PythonIcon {
+  background-image: var(--jp-icon-python);
+}
 
-.bp3-icon-floppy-disk::before{
-  content:""; }
+.jp-RKernelIcon {
+  background-image: var(--jp-icon-r-kernel);
+}
 
-.bp3-icon-flow-branch::before{
-  content:""; }
+.jp-ReactIcon {
+  background-image: var(--jp-icon-react);
+}
 
-.bp3-icon-flow-end::before{
-  content:""; }
+.jp-RedoIcon {
+  background-image: var(--jp-icon-redo);
+}
 
-.bp3-icon-flow-linear::before{
-  content:""; }
+.jp-RefreshIcon {
+  background-image: var(--jp-icon-refresh);
+}
 
-.bp3-icon-flow-review::before{
-  content:""; }
+.jp-RegexIcon {
+  background-image: var(--jp-icon-regex);
+}
 
-.bp3-icon-flow-review-branch::before{
-  content:""; }
+.jp-RunIcon {
+  background-image: var(--jp-icon-run);
+}
 
-.bp3-icon-flows::before{
-  content:""; }
+.jp-RunningIcon {
+  background-image: var(--jp-icon-running);
+}
 
-.bp3-icon-folder-close::before{
-  content:""; }
+.jp-SaveIcon {
+  background-image: var(--jp-icon-save);
+}
 
-.bp3-icon-folder-new::before{
-  content:""; }
+.jp-SearchIcon {
+  background-image: var(--jp-icon-search);
+}
 
-.bp3-icon-folder-open::before{
-  content:""; }
+.jp-SettingsIcon {
+  background-image: var(--jp-icon-settings);
+}
 
-.bp3-icon-folder-shared::before{
-  content:""; }
+.jp-ShareIcon {
+  background-image: var(--jp-icon-share);
+}
 
-.bp3-icon-folder-shared-open::before{
-  content:""; }
+.jp-SpreadsheetIcon {
+  background-image: var(--jp-icon-spreadsheet);
+}
 
-.bp3-icon-follower::before{
-  content:""; }
+.jp-StopIcon {
+  background-image: var(--jp-icon-stop);
+}
 
-.bp3-icon-following::before{
-  content:""; }
+.jp-TabIcon {
+  background-image: var(--jp-icon-tab);
+}
 
-.bp3-icon-font::before{
-  content:""; }
+.jp-TableRowsIcon {
+  background-image: var(--jp-icon-table-rows);
+}
 
-.bp3-icon-fork::before{
-  content:""; }
+.jp-TagIcon {
+  background-image: var(--jp-icon-tag);
+}
 
-.bp3-icon-form::before{
-  content:""; }
+.jp-TerminalIcon {
+  background-image: var(--jp-icon-terminal);
+}
 
-.bp3-icon-full-circle::before{
-  content:""; }
+.jp-TextEditorIcon {
+  background-image: var(--jp-icon-text-editor);
+}
 
-.bp3-icon-full-stacked-chart::before{
-  content:""; }
+.jp-TocIcon {
+  background-image: var(--jp-icon-toc);
+}
 
-.bp3-icon-fullscreen::before{
-  content:""; }
+.jp-TreeViewIcon {
+  background-image: var(--jp-icon-tree-view);
+}
 
-.bp3-icon-function::before{
-  content:""; }
+.jp-TrustedIcon {
+  background-image: var(--jp-icon-trusted);
+}
 
-.bp3-icon-gantt-chart::before{
-  content:""; }
+.jp-UndoIcon {
+  background-image: var(--jp-icon-undo);
+}
 
-.bp3-icon-geolocation::before{
-  content:""; }
+.jp-UserIcon {
+  background-image: var(--jp-icon-user);
+}
 
-.bp3-icon-geosearch::before{
-  content:""; }
+.jp-UsersIcon {
+  background-image: var(--jp-icon-users);
+}
 
-.bp3-icon-git-branch::before{
-  content:""; }
+.jp-VegaIcon {
+  background-image: var(--jp-icon-vega);
+}
 
-.bp3-icon-git-commit::before{
-  content:""; }
+.jp-WordIcon {
+  background-image: var(--jp-icon-word);
+}
 
-.bp3-icon-git-merge::before{
-  content:""; }
+.jp-YamlIcon {
+  background-image: var(--jp-icon-yaml);
+}
 
-.bp3-icon-git-new-branch::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-git-pull::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-git-push::before{
-  content:""; }
+.jp-Icon,
+.jp-MaterialIcon {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-git-repo::before{
-  content:""; }
+.jp-Icon-cover {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: cover;
+}
 
-.bp3-icon-glass::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for specific CSS icon sizes
+ */
 
-.bp3-icon-globe::before{
-  content:""; }
+.jp-Icon-16 {
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-globe-network::before{
-  content:""; }
+.jp-Icon-18 {
+  background-size: 18px;
+  min-width: 18px;
+  min-height: 18px;
+}
 
-.bp3-icon-graph::before{
-  content:""; }
+.jp-Icon-20 {
+  background-size: 20px;
+  min-width: 20px;
+  min-height: 20px;
+}
 
-.bp3-icon-graph-remove::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-greater-than::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton {
+  align-items: center;
+  display: flex;
+  padding: 4px;
+  padding-bottom: 5px;
+  margin-right: 1px;
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-greater-than-or-equal-to::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton:hover {
+  background-color: var(--jp-layout-color1);
+}
 
-.bp3-icon-grid::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-tab {
+  width: var(--jp-private-horizontal-tab-width);
+}
 
-.bp3-icon-grid-view::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-content {
+  flex: unset;
+}
 
-.bp3-icon-group-objects::before{
-  content:""; }
+.lm-DockPanel-tabBar[data-orientation='horizontal'] {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-grouped-bar-chart::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-hand::before{
-  content:""; }
+/**
+ * Support for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-hand-down::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-hand-left::before{
-  content:""; }
+.jp-icon1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-hand-right::before{
-  content:""; }
+.jp-icon2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-hand-up::before{
-  content:""; }
+.jp-icon3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-header::before{
-  content:""; }
+.jp-icon4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-header-one::before{
-  content:""; }
+.jp-icon0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-header-two::before{
-  content:""; }
+.jp-icon1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-headset::before{
-  content:""; }
+.jp-icon2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-heart::before{
-  content:"♥"; }
+.jp-icon3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-heart-broken::before{
-  content:""; }
+.jp-icon4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-heat-grid::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-accent0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-heatmap::before{
-  content:""; }
+.jp-icon-accent1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-help::before{
-  content:"?"; }
+.jp-icon-accent2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-helper-management::before{
-  content:""; }
+.jp-icon-accent3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-highlight::before{
-  content:""; }
+.jp-icon-accent4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-history::before{
-  content:""; }
+.jp-icon-accent0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-home::before{
-  content:"⌂"; }
+.jp-icon-accent1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-horizontal-bar-chart::before{
-  content:""; }
+.jp-icon-accent2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-horizontal-bar-chart-asc::before{
-  content:""; }
+.jp-icon-accent3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-horizontal-bar-chart-desc::before{
-  content:""; }
+.jp-icon-accent4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-horizontal-distribution::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-none[fill] {
+  fill: none;
+}
 
-.bp3-icon-id-number::before{
-  content:""; }
+.jp-icon-none[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-image-rotate-left::before{
-  content:""; }
+/* brand icon colors. Same for light and dark */
+.jp-icon-brand0[fill] {
+  fill: var(--jp-brand-color0);
+}
 
-.bp3-icon-image-rotate-right::before{
-  content:""; }
+.jp-icon-brand1[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-import::before{
-  content:""; }
+.jp-icon-brand2[fill] {
+  fill: var(--jp-brand-color2);
+}
 
-.bp3-icon-inbox::before{
-  content:""; }
+.jp-icon-brand3[fill] {
+  fill: var(--jp-brand-color3);
+}
 
-.bp3-icon-inbox-filtered::before{
-  content:""; }
+.jp-icon-brand4[fill] {
+  fill: var(--jp-brand-color4);
+}
 
-.bp3-icon-inbox-geo::before{
-  content:""; }
+.jp-icon-brand0[stroke] {
+  stroke: var(--jp-brand-color0);
+}
 
-.bp3-icon-inbox-search::before{
-  content:""; }
+.jp-icon-brand1[stroke] {
+  stroke: var(--jp-brand-color1);
+}
 
-.bp3-icon-inbox-update::before{
-  content:""; }
+.jp-icon-brand2[stroke] {
+  stroke: var(--jp-brand-color2);
+}
 
-.bp3-icon-info-sign::before{
-  content:"ℹ"; }
+.jp-icon-brand3[stroke] {
+  stroke: var(--jp-brand-color3);
+}
 
-.bp3-icon-inheritance::before{
-  content:""; }
+.jp-icon-brand4[stroke] {
+  stroke: var(--jp-brand-color4);
+}
 
-.bp3-icon-inner-join::before{
-  content:""; }
+/* warn icon colors. Same for light and dark */
+.jp-icon-warn0[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-insert::before{
-  content:""; }
+.jp-icon-warn1[fill] {
+  fill: var(--jp-warn-color1);
+}
 
-.bp3-icon-intersection::before{
-  content:""; }
+.jp-icon-warn2[fill] {
+  fill: var(--jp-warn-color2);
+}
 
-.bp3-icon-ip-address::before{
-  content:""; }
+.jp-icon-warn3[fill] {
+  fill: var(--jp-warn-color3);
+}
 
-.bp3-icon-issue::before{
-  content:""; }
+.jp-icon-warn0[stroke] {
+  stroke: var(--jp-warn-color0);
+}
 
-.bp3-icon-issue-closed::before{
-  content:""; }
+.jp-icon-warn1[stroke] {
+  stroke: var(--jp-warn-color1);
+}
 
-.bp3-icon-issue-new::before{
-  content:""; }
+.jp-icon-warn2[stroke] {
+  stroke: var(--jp-warn-color2);
+}
 
-.bp3-icon-italic::before{
-  content:""; }
+.jp-icon-warn3[stroke] {
+  stroke: var(--jp-warn-color3);
+}
 
-.bp3-icon-join-table::before{
-  content:""; }
+/* icon colors that contrast well with each other and most backgrounds */
+.jp-icon-contrast0[fill] {
+  fill: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key::before{
-  content:""; }
+.jp-icon-contrast1[fill] {
+  fill: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-backspace::before{
-  content:""; }
+.jp-icon-contrast2[fill] {
+  fill: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-command::before{
-  content:""; }
+.jp-icon-contrast3[fill] {
+  fill: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-control::before{
-  content:""; }
-
-.bp3-icon-key-delete::before{
-  content:""; }
+.jp-icon-contrast0[stroke] {
+  stroke: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key-enter::before{
-  content:""; }
+.jp-icon-contrast1[stroke] {
+  stroke: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-escape::before{
-  content:""; }
+.jp-icon-contrast2[stroke] {
+  stroke: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-option::before{
-  content:""; }
+.jp-icon-contrast3[stroke] {
+  stroke: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-shift::before{
-  content:""; }
+.jp-icon-dot[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-key-tab::before{
-  content:""; }
+.jp-jupyter-icon-color[fill] {
+  fill: var(--jp-jupyter-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-known-vehicle::before{
-  content:""; }
+.jp-notebook-icon-color[fill] {
+  fill: var(--jp-notebook-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-lab-test::before{
-  content:""; }
+.jp-json-icon-color[fill] {
+  fill: var(--jp-json-icon-color, var(--jp-warn-color1));
+}
 
-.bp3-icon-label::before{
-  content:""; }
+.jp-console-icon-color[fill] {
+  fill: var(--jp-console-icon-color, white);
+}
 
-.bp3-icon-layer::before{
-  content:""; }
+.jp-console-icon-background-color[fill] {
+  fill: var(--jp-console-icon-background-color, var(--jp-brand-color1));
+}
 
-.bp3-icon-layers::before{
-  content:""; }
+.jp-terminal-icon-color[fill] {
+  fill: var(--jp-terminal-icon-color, var(--jp-layout-color2));
+}
 
-.bp3-icon-layout::before{
-  content:""; }
+.jp-terminal-icon-background-color[fill] {
+  fill: var(
+    --jp-terminal-icon-background-color,
+    var(--jp-inverse-layout-color2)
+  );
+}
 
-.bp3-icon-layout-auto::before{
-  content:""; }
+.jp-text-editor-icon-color[fill] {
+  fill: var(--jp-text-editor-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-balloon::before{
-  content:""; }
+.jp-inspector-icon-color[fill] {
+  fill: var(--jp-inspector-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-circle::before{
-  content:""; }
+/* CSS for icons in selected filebrowser listing items */
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-layout-grid::before{
-  content:""; }
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-layout-group-by::before{
-  content:""; }
+/* stylelint-disable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-hierarchy::before{
-  content:""; }
+/**
+* TODO: come up with non css-hack solution for showing the busy icon on top
+*  of the close icon
+* CSS for complex behavior of close icon of tabs in the main area tabbar
+*/
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon3[fill] {
+  fill: none;
+}
 
-.bp3-icon-layout-linear::before{
-  content:""; }
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon-busy[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-layout-skew-grid::before{
-  content:""; }
+/* stylelint-enable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-sorted-clusters::before{
-  content:""; }
+/* CSS for icons in status bar */
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-learning::before{
-  content:""; }
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-left-join::before{
-  content:""; }
+/* special handling for splash icon CSS. While the theme CSS reloads during
+   splash, the splash icon can loose theming. To prevent that, we set a
+   default for its color variable */
+:root {
+  --jp-warn-color0: var(--md-orange-700);
+}
 
-.bp3-icon-less-than::before{
-  content:""; }
+/* not sure what to do with this one, used in filebrowser listing */
+.jp-DragIcon {
+  margin-right: 4px;
+}
 
-.bp3-icon-less-than-or-equal-to::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-lifesaver::before{
-  content:""; }
+/**
+ * Support for alt colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-lightbulb::before{
-  content:""; }
+/* alt recolor the primary elements of an icon */
+.jp-icon-alt .jp-icon0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-link::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-list::before{
-  content:"☰"; }
+.jp-icon-alt .jp-icon2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-list-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-list-detail-view::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-locate::before{
-  content:""; }
+.jp-icon-alt .jp-icon0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-lock::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-log-in::before{
-  content:""; }
+.jp-icon-alt .jp-icon2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-log-out::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-manual::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-manually-entered-data::before{
-  content:""; }
+/* alt recolor the accent elements of an icon */
+.jp-icon-alt .jp-icon-accent0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-map::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-map-create::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-map-marker::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-maximize::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-media::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-menu::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-menu-closed::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-menu-open::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-merge-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-merge-links::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-minimize::before{
-  content:""; }
+.jp-icon-hoverShow:not(:hover) .jp-icon-hoverShow-content {
+  display: none !important;
+}
 
-.bp3-icon-minus::before{
-  content:"−"; }
+/**
+ * Support for hover colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-mobile-phone::before{
-  content:""; }
+/**
+ * regular colors
+ */
 
-.bp3-icon-mobile-video::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon-hover :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-moon::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-more::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-mountain::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-move::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-mugshot::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-multi-select::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-music::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-new-drawing::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-new-grid-item::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-new-layer::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-layers::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-new-link::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-new-object::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-new-person::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-new-prescription::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-text-box::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-ninja::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-not-equal-to::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-notifications::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-notifications-updated::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-hover :hover .jp-icon-none-hover[fill] {
+  fill: none;
+}
 
-.bp3-icon-numbered-list::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-numerical::before{
-  content:""; }
+/**
+ * inverse colors
+ */
 
-.bp3-icon-office::before{
-  content:""; }
+/* inverse recolor the primary elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-offline::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-oil-field::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-one-column::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-outdated::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-page-layout::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-panel-stats::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-panel-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-paperclip::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-paragraph::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-path::before{
-  content:""; }
+/* inverse recolor the accent elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-path-search::before{
-  content:""; }
-
-.bp3-icon-pause::before{
-  content:""; }
-
-.bp3-icon-people::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-percentage::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-person::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-phone::before{
-  content:"☎"; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-pie-chart::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-pin::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-pivot::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-pivot-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-play::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-plus::before{
-  content:"+"; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-polygon-filter::before{
-  content:""; }
+.jp-IFrame {
+  width: 100%;
+  height: 100%;
+}
 
-.bp3-icon-power::before{
-  content:""; }
+.jp-IFrame > iframe {
+  border: none;
+}
 
-.bp3-icon-predictive-analysis::before{
-  content:""; }
+/*
+When drag events occur, `lm-mod-override-cursor` is added to the body.
+Because iframes steal all cursor events, the following two rules are necessary
+to suppress pointer events while resize drags are occurring. There may be a
+better solution to this problem.
+*/
+body.lm-mod-override-cursor .jp-IFrame {
+  position: relative;
+}
 
-.bp3-icon-prescription::before{
-  content:""; }
+body.lm-mod-override-cursor .jp-IFrame::before {
+  content: '';
+  position: absolute;
+  top: 0;
+  left: 0;
+  right: 0;
+  bottom: 0;
+  background: transparent;
+}
 
-.bp3-icon-presentation::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-print::before{
-  content:"⎙"; }
+.jp-HoverBox {
+  position: fixed;
+}
 
-.bp3-icon-projects::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-properties::before{
-  content:""; }
+.jp-FormGroup-content fieldset {
+  border: none;
+  padding: 0;
+  min-width: 0;
+  width: 100%;
+}
 
-.bp3-icon-property::before{
-  content:""; }
+/* stylelint-disable selector-max-type */
 
-.bp3-icon-publish-function::before{
-  content:""; }
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper input,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper select,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper textarea {
+  font-size: var(--jp-content-font-size2);
+  border-color: var(--jp-input-border-color);
+  border-style: solid;
+  border-radius: var(--jp-border-radius);
+  border-width: 1px;
+  padding: 6px 8px;
+  background: none;
+  color: var(--jp-ui-font-color0);
+  height: inherit;
+}
 
-.bp3-icon-pulse::before{
-  content:""; }
+.jp-FormGroup-content fieldset input[type='checkbox'] {
+  position: relative;
+  top: 2px;
+  margin-left: 0;
+}
 
-.bp3-icon-random::before{
-  content:""; }
+.jp-FormGroup-content button.jp-mod-styled {
+  cursor: pointer;
+}
 
-.bp3-icon-record::before{
-  content:""; }
+.jp-FormGroup-content .checkbox label {
+  cursor: pointer;
+  font-size: var(--jp-content-font-size1);
+}
 
-.bp3-icon-redo::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > legend {
+  display: none;
+}
 
-.bp3-icon-refresh::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > p {
+  display: none;
+}
 
-.bp3-icon-regression-chart::before{
-  content:""; }
+/** copy of `input.jp-mod-styled:focus` style */
+.jp-FormGroup-content fieldset input:focus,
+.jp-FormGroup-content fieldset select:focus {
+  -moz-outline-radius: unset;
+  outline: var(--jp-border-width) solid var(--md-blue-500);
+  outline-offset: -1px;
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-remove::before{
-  content:""; }
+.jp-FormGroup-content fieldset input:hover:not(:focus),
+.jp-FormGroup-content fieldset select:hover:not(:focus) {
+  background-color: var(--jp-border-color2);
+}
 
-.bp3-icon-remove-column::before{
-  content:""; }
+/* stylelint-enable selector-max-type */
 
-.bp3-icon-remove-column-left::before{
-  content:""; }
+.jp-FormGroup-content .checkbox .field-description {
+  /* Disable default description field for checkbox:
+   because other widgets do not have description fields,
+   we add descriptions to each widget on the field level.
+  */
+  display: none;
+}
 
-.bp3-icon-remove-column-right::before{
-  content:""; }
+.jp-FormGroup-content #root__description {
+  display: none;
+}
 
-.bp3-icon-remove-row-bottom::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator {
+  width: 5px;
+  background-color: var(--jp-brand-color2);
+  margin-top: 0;
+  margin-left: calc(var(--jp-private-settingeditor-modifier-indent) * -1);
+  flex-shrink: 0;
+}
 
-.bp3-icon-remove-row-top::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator.jp-errorIndicator {
+  background-color: var(--jp-error-color0);
+  margin-right: 0.5em;
+}
 
-.bp3-icon-repeat::before{
-  content:""; }
+/* RJSF ARRAY style */
 
-.bp3-icon-reset::before{
-  content:""; }
+.jp-arrayFieldWrapper legend {
+  font-size: var(--jp-content-font-size2);
+  color: var(--jp-ui-font-color0);
+  flex-basis: 100%;
+  padding: 4px 0;
+  font-weight: var(--jp-content-heading-font-weight);
+  border-bottom: 1px solid var(--jp-border-color2);
+}
 
-.bp3-icon-resolve::before{
-  content:""; }
+.jp-arrayFieldWrapper .field-description {
+  padding: 4px 0;
+  white-space: pre-wrap;
+}
 
-.bp3-icon-rig::before{
-  content:""; }
+.jp-arrayFieldWrapper .array-item {
+  width: 100%;
+  border: 1px solid var(--jp-border-color2);
+  border-radius: 4px;
+  margin: 4px;
+}
 
-.bp3-icon-right-join::before{
-  content:""; }
+.jp-ArrayOperations {
+  display: flex;
+  margin-left: 8px;
+}
 
-.bp3-icon-ring::before{
-  content:""; }
+.jp-ArrayOperationsButton {
+  margin: 2px;
+}
 
-.bp3-icon-rotate-document::before{
-  content:""; }
+.jp-ArrayOperationsButton .jp-icon3[fill] {
+  fill: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-rotate-page::before{
-  content:""; }
+button.jp-ArrayOperationsButton.jp-mod-styled:disabled {
+  cursor: not-allowed;
+  opacity: 0.5;
+}
 
-.bp3-icon-satellite::before{
-  content:""; }
+/* RJSF form validation error */
 
-.bp3-icon-saved::before{
-  content:""; }
+.jp-FormGroup-content .validationErrors {
+  color: var(--jp-error-color0);
+}
 
-.bp3-icon-scatter-plot::before{
-  content:""; }
+/* Hide panel level error as duplicated the field level error */
+.jp-FormGroup-content .panel.errors {
+  display: none;
+}
 
-.bp3-icon-search::before{
-  content:""; }
+/* RJSF normal content (settings-editor) */
 
-.bp3-icon-search-around::before{
-  content:""; }
+.jp-FormGroup-contentNormal {
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-search-template::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-contentItem {
+  margin-left: 7px;
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-search-text::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-description {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-segmented-control::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-default {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-select::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-fieldLabel {
+  font-size: var(--jp-content-font-size1);
+  font-weight: normal;
+  min-width: 120px;
+}
 
-.bp3-icon-selection::before{
-  content:"⦿"; }
+.jp-FormGroup-contentNormal fieldset:not(:first-child) {
+  margin-left: 7px;
+}
 
-.bp3-icon-send-to::before{
-  content:""; }
+.jp-FormGroup-contentNormal .field-array-of-string .array-item {
+  /* Display `jp-ArrayOperations` buttons side-by-side with content except
+    for small screens where flex-wrap will place them one below the other.
+  */
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-send-to-graph::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-objectFieldWrapper .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-send-to-map::before{
-  content:""; }
+/* RJSF compact content (metadata-form) */
 
-.bp3-icon-series-add::before{
-  content:""; }
+.jp-FormGroup-content.jp-FormGroup-contentCompact {
+  width: 100%;
+}
 
-.bp3-icon-series-configuration::before{
-  content:""; }
+.jp-FormGroup-contentCompact .form-group {
+  display: flex;
+  padding: 0.5em 0.2em 0.5em 0;
+}
 
-.bp3-icon-series-derived::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-FormGroup-compactTitle
+  .jp-FormGroup-description {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-series-filtered::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-FormGroup-fieldLabel {
+  padding-bottom: 0.3em;
+}
 
-.bp3-icon-series-search::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-inputFieldWrapper .form-control {
+  width: 100%;
+  box-sizing: border-box;
+}
 
-.bp3-icon-settings::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-arrayFieldWrapper .jp-FormGroup-compactTitle {
+  padding-bottom: 7px;
+}
 
-.bp3-icon-share::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-objectFieldWrapper
+  .jp-objectFieldWrapper
+  .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-shield::before{
-  content:""; }
+.jp-FormGroup-contentCompact ul.error-detail {
+  margin-block-start: 0.5em;
+  margin-block-end: 0.5em;
+  padding-inline-start: 1em;
+}
 
-.bp3-icon-shop::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-.bp3-icon-shopping-cart::before{
-  content:""; }
+.jp-SidePanel {
+  display: flex;
+  flex-direction: column;
+  min-width: var(--jp-sidebar-min-width);
+  overflow-y: auto;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+  font-size: var(--jp-ui-font-size1);
+}
 
-.bp3-icon-signal-search::before{
-  content:""; }
+.jp-SidePanel-header {
+  flex: 0 0 auto;
+  display: flex;
+  border-bottom: var(--jp-border-width) solid var(--jp-border-color2);
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin: 0;
+  padding: 2px;
+  text-transform: uppercase;
+}
 
-.bp3-icon-sim-card::before{
-  content:""; }
+.jp-SidePanel-toolbar {
+  flex: 0 0 auto;
+}
 
-.bp3-icon-slash::before{
-  content:""; }
+.jp-SidePanel-content {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-small-cross::before{
-  content:""; }
+.jp-SidePanel-toolbar,
+.jp-AccordionPanel-toolbar {
+  height: var(--jp-private-toolbar-height);
+}
 
-.bp3-icon-small-minus::before{
-  content:""; }
+.jp-SidePanel-toolbar.jp-Toolbar-micro {
+  display: none;
+}
 
-.bp3-icon-small-plus::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-title {
+  box-sizing: border-box;
+  line-height: 25px;
+  margin: 0;
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  font-size: var(--jp-ui-font-size0);
+}
 
-.bp3-icon-small-tick::before{
-  content:""; }
+.jp-AccordionPanel-title {
+  cursor: pointer;
+  user-select: none;
+  -moz-user-select: none;
+  -webkit-user-select: none;
+  text-transform: uppercase;
+}
 
-.bp3-icon-snowflake::before{
-  content:""; }
+.lm-AccordionPanel[data-orientation='horizontal'] > .jp-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
 
-.bp3-icon-social-media::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleLabel {
+  user-select: none;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+  overflow: hidden;
+}
 
-.bp3-icon-sort::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleCollapser {
+  transform: rotate(-90deg);
+  margin: auto 0;
+  height: 16px;
+}
 
-.bp3-icon-sort-alphabetical::before{
-  content:""; }
+.jp-AccordionPanel-title.lm-mod-expanded .lm-AccordionPanel-titleCollapser {
+  transform: rotate(0deg);
+}
 
-.bp3-icon-sort-alphabetical-desc::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-toolbar {
+  background: none;
+  box-shadow: none;
+  border: none;
+  margin-left: auto;
+}
 
-.bp3-icon-sort-asc::before{
-  content:""; }
+.lm-AccordionPanel .lm-SplitPanel-handle:hover {
+  background: var(--jp-layout-color3);
+}
 
-.bp3-icon-sort-desc::before{
-  content:""; }
+.jp-text-truncated {
+  overflow: hidden;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+}
 
-.bp3-icon-sort-numerical::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-sort-numerical-desc::before{
-  content:""; }
+.jp-Spinner {
+  position: absolute;
+  display: flex;
+  justify-content: center;
+  align-items: center;
+  z-index: 10;
+  left: 0;
+  top: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-layout-color0);
+  outline: none;
+}
 
-.bp3-icon-split-columns::before{
-  content:""; }
+.jp-SpinnerContent {
+  font-size: 10px;
+  margin: 50px auto;
+  text-indent: -9999em;
+  width: 3em;
+  height: 3em;
+  border-radius: 50%;
+  background: var(--jp-brand-color3);
+  background: linear-gradient(
+    to right,
+    #f37626 10%,
+    rgba(255, 255, 255, 0) 42%
+  );
+  position: relative;
+  animation: load3 1s infinite linear, fadeIn 1s;
+}
 
-.bp3-icon-square::before{
-  content:""; }
+.jp-SpinnerContent::before {
+  width: 50%;
+  height: 50%;
+  background: #f37626;
+  border-radius: 100% 0 0;
+  position: absolute;
+  top: 0;
+  left: 0;
+  content: '';
+}
 
-.bp3-icon-stacked-chart::before{
-  content:""; }
-
-.bp3-icon-star::before{
-  content:"★"; }
+.jp-SpinnerContent::after {
+  background: var(--jp-layout-color0);
+  width: 75%;
+  height: 75%;
+  border-radius: 50%;
+  content: '';
+  margin: auto;
+  position: absolute;
+  top: 0;
+  left: 0;
+  bottom: 0;
+  right: 0;
+}
 
-.bp3-icon-star-empty::before{
-  content:"☆"; }
+@keyframes fadeIn {
+  0% {
+    opacity: 0;
+  }
 
-.bp3-icon-step-backward::before{
-  content:""; }
+  100% {
+    opacity: 1;
+  }
+}
 
-.bp3-icon-step-chart::before{
-  content:""; }
+@keyframes load3 {
+  0% {
+    transform: rotate(0deg);
+  }
 
-.bp3-icon-step-forward::before{
-  content:""; }
+  100% {
+    transform: rotate(360deg);
+  }
+}
 
-.bp3-icon-stop::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-stopwatch::before{
-  content:""; }
+button.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: none;
+  box-sizing: border-box;
+  text-align: center;
+  line-height: 32px;
+  height: 32px;
+  padding: 0 12px;
+  letter-spacing: 0.8px;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-strikethrough::before{
-  content:""; }
+input.jp-mod-styled {
+  background: var(--jp-input-background);
+  height: 28px;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+  padding-left: 7px;
+  padding-right: 7px;
+  font-size: var(--jp-ui-font-size2);
+  color: var(--jp-ui-font-color0);
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-style::before{
-  content:""; }
+input[type='checkbox'].jp-mod-styled {
+  appearance: checkbox;
+  -webkit-appearance: checkbox;
+  -moz-appearance: checkbox;
+  height: auto;
+}
 
-.bp3-icon-swap-horizontal::before{
-  content:""; }
+input.jp-mod-styled:focus {
+  border: var(--jp-border-width) solid var(--md-blue-500);
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-swap-vertical::before{
-  content:""; }
+.jp-select-wrapper {
+  display: flex;
+  position: relative;
+  flex-direction: column;
+  padding: 1px;
+  background-color: var(--jp-layout-color1);
+  box-sizing: border-box;
+  margin-bottom: 12px;
+}
 
-.bp3-icon-symbol-circle::before{
-  content:""; }
+.jp-select-wrapper:not(.multiple) {
+  height: 28px;
+}
 
-.bp3-icon-symbol-cross::before{
-  content:""; }
+.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
+  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
+  box-shadow: var(--jp-input-box-shadow);
+  background-color: var(--jp-input-active-background);
+}
 
-.bp3-icon-symbol-diamond::before{
-  content:""; }
+select.jp-mod-styled:hover {
+  cursor: pointer;
+  color: var(--jp-ui-font-color0);
+  background-color: var(--jp-input-hover-background);
+  box-shadow: inset 0 0 1px rgba(0, 0, 0, 0.5);
+}
 
-.bp3-icon-symbol-square::before{
-  content:""; }
+select.jp-mod-styled {
+  flex: 1 1 auto;
+  width: 100%;
+  font-size: var(--jp-ui-font-size2);
+  background: var(--jp-input-background);
+  color: var(--jp-ui-font-color0);
+  padding: 0 25px 0 8px;
+  border: var(--jp-border-width) solid var(--jp-input-border-color);
+  border-radius: 0;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-symbol-triangle-down::before{
-  content:""; }
+select.jp-mod-styled:not([multiple]) {
+  height: 32px;
+}
 
-.bp3-icon-symbol-triangle-up::before{
-  content:""; }
+select.jp-mod-styled[multiple] {
+  max-height: 200px;
+  overflow-y: auto;
+}
 
-.bp3-icon-tag::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-take-action::before{
-  content:""; }
+.jp-switch {
+  display: flex;
+  align-items: center;
+  padding-left: 4px;
+  padding-right: 4px;
+  font-size: var(--jp-ui-font-size1);
+  background-color: transparent;
+  color: var(--jp-ui-font-color1);
+  border: none;
+  height: 20px;
+}
 
-.bp3-icon-taxi::before{
-  content:""; }
+.jp-switch:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-text-highlight::before{
-  content:""; }
+.jp-switch-label {
+  margin-right: 5px;
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-th::before{
-  content:""; }
+.jp-switch-track {
+  cursor: pointer;
+  background-color: var(--jp-switch-color, var(--jp-border-color1));
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 34px;
+  height: 16px;
+  width: 35px;
+  position: relative;
+}
 
-.bp3-icon-th-derived::before{
-  content:""; }
+.jp-switch-track::before {
+  content: '';
+  position: absolute;
+  height: 10px;
+  width: 10px;
+  margin: 3px;
+  left: 0;
+  background-color: var(--jp-ui-inverse-font-color1);
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 50%;
+}
 
-.bp3-icon-th-disconnect::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track {
+  background-color: var(--jp-switch-true-position-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-th-filtered::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track::before {
+  /* track width (35) - margins (3 + 3) - thumb width (10) */
+  left: 19px;
+}
 
-.bp3-icon-th-list::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-thumbs-down::before{
-  content:""; }
+:root {
+  --jp-private-toolbar-height: calc(
+    28px + var(--jp-border-width)
+  ); /* leave 28px for content */
+}
 
-.bp3-icon-thumbs-up::before{
-  content:""; }
+.jp-Toolbar {
+  color: var(--jp-ui-font-color1);
+  flex: 0 0 auto;
+  display: flex;
+  flex-direction: row;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: 2px;
+  z-index: 8;
+  overflow-x: hidden;
+}
 
-.bp3-icon-tick::before{
-  content:"✓"; }
+/* Toolbar items */
 
-.bp3-icon-tick-circle::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
+  flex-grow: 1;
+  flex-shrink: 1;
+}
 
-.bp3-icon-time::before{
-  content:"⏲"; }
+.jp-Toolbar-item.jp-Toolbar-kernelStatus {
+  display: inline-block;
+  width: 32px;
+  background-repeat: no-repeat;
+  background-position: center;
+  background-size: 16px;
+}
 
-.bp3-icon-timeline-area-chart::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item {
+  flex: 0 0 auto;
+  display: flex;
+  padding-left: 1px;
+  padding-right: 1px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: var(--jp-private-toolbar-height);
+  height: 100%;
+}
 
-.bp3-icon-timeline-bar-chart::before{
-  content:""; }
+/* Toolbar buttons */
 
-.bp3-icon-timeline-events::before{
-  content:""; }
+/* This is the div we use to wrap the react component into a Widget */
+div.jp-ToolbarButton {
+  color: transparent;
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0;
+  margin: 0;
+}
 
-.bp3-icon-timeline-line-chart::before{
-  content:""; }
+button.jp-ToolbarButtonComponent {
+  background: var(--jp-layout-color1);
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0 6px;
+  margin: 0;
+  height: 24px;
+  border-radius: var(--jp-border-radius);
+  display: flex;
+  align-items: center;
+  text-align: center;
+  font-size: 14px;
+  min-width: unset;
+  min-height: unset;
+}
 
-.bp3-icon-tint::before{
-  content:""; }
+button.jp-ToolbarButtonComponent:disabled {
+  opacity: 0.4;
+}
 
-.bp3-icon-torch::before{
-  content:""; }
+button.jp-ToolbarButtonComponent > span {
+  padding: 0;
+  flex: 0 0 auto;
+}
 
-.bp3-icon-tractor::before{
-  content:""; }
+button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
+  font-size: var(--jp-ui-font-size1);
+  line-height: 100%;
+  padding-left: 2px;
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-train::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar.jp-Toolbar-micro {
+  padding: 0;
+  min-height: 0;
+}
 
-.bp3-icon-translate::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar {
+  border: none;
+  box-shadow: none;
+}
 
-.bp3-icon-trash::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-WindowedPanel-outer {
+  position: relative;
+  overflow-y: auto;
+}
+
+.jp-WindowedPanel-inner {
+  position: relative;
+}
+
+.jp-WindowedPanel-window {
+  position: absolute;
+  left: 0;
+  right: 0;
+  overflow: visible;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/* Sibling imports */
+
+body {
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+}
+
+/* Disable native link decoration styles everywhere outside of dialog boxes */
+a {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-tree::before{
-  content:""; }
+a:hover {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-trending-down::before{
-  content:""; }
+/* Accessibility for links inside dialog box text */
+.jp-Dialog-content a {
+  text-decoration: revert;
+  color: var(--jp-content-link-color);
+}
 
-.bp3-icon-trending-up::before{
-  content:""; }
+.jp-Dialog-content a:hover {
+  text-decoration: revert;
+}
 
-.bp3-icon-truck::before{
-  content:""; }
+/* Styles for ui-components */
+.jp-Button {
+  color: var(--jp-ui-font-color2);
+  border-radius: var(--jp-border-radius);
+  padding: 0 12px;
+  font-size: var(--jp-ui-font-size1);
 
-.bp3-icon-two-columns::before{
-  content:""; }
+  /* Copy from blueprint 3 */
+  display: inline-flex;
+  flex-direction: row;
+  border: none;
+  cursor: pointer;
+  align-items: center;
+  justify-content: center;
+  text-align: left;
+  vertical-align: middle;
+  min-height: 30px;
+  min-width: 30px;
+}
 
-.bp3-icon-unarchive::before{
-  content:""; }
+.jp-Button:disabled {
+  cursor: not-allowed;
+}
 
-.bp3-icon-underline::before{
-  content:"⎁"; }
+.jp-Button:empty {
+  padding: 0 !important;
+}
 
-.bp3-icon-undo::before{
-  content:"⎌"; }
+.jp-Button.jp-mod-small {
+  min-height: 24px;
+  min-width: 24px;
+  font-size: 12px;
+  padding: 0 7px;
+}
 
-.bp3-icon-ungroup-objects::before{
-  content:""; }
+/* Use our own theme for hover styles */
+.jp-Button.jp-mod-minimal:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-unknown-vehicle::before{
-  content:""; }
+.jp-Button.jp-mod-minimal {
+  background: none;
+}
 
-.bp3-icon-unlock::before{
-  content:""; }
+.jp-InputGroup {
+  display: block;
+  position: relative;
+}
 
-.bp3-icon-unpin::before{
-  content:""; }
+.jp-InputGroup input {
+  box-sizing: border-box;
+  border: none;
+  border-radius: 0;
+  background-color: transparent;
+  color: var(--jp-ui-font-color0);
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
+  padding-bottom: 0;
+  padding-top: 0;
+  padding-left: 10px;
+  padding-right: 28px;
+  position: relative;
+  width: 100%;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  appearance: none;
+  font-size: 14px;
+  font-weight: 400;
+  height: 30px;
+  line-height: 30px;
+  outline: none;
+  vertical-align: middle;
+}
 
-.bp3-icon-unresolve::before{
-  content:""; }
+.jp-InputGroup input:focus {
+  box-shadow: inset 0 0 0 var(--jp-border-width)
+      var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
+}
 
-.bp3-icon-updated::before{
-  content:""; }
+.jp-InputGroup input:disabled {
+  cursor: not-allowed;
+  resize: block;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-upload::before{
-  content:""; }
+.jp-InputGroup input:disabled ~ span {
+  cursor: not-allowed;
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-user::before{
-  content:""; }
+.jp-InputGroup input::placeholder,
+input::placeholder {
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-variable::before{
-  content:""; }
+.jp-InputGroupAction {
+  position: absolute;
+  bottom: 1px;
+  right: 0;
+  padding: 6px;
+}
 
-.bp3-icon-vertical-bar-chart-asc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select {
+  background-color: initial;
+  border: none;
+  border-radius: 0;
+  box-shadow: none;
+  color: var(--jp-ui-font-color0);
+  display: block;
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  height: 24px;
+  line-height: 14px;
+  padding: 0 25px 0 10px;
+  text-align: left;
+  -moz-appearance: none;
+  -webkit-appearance: none;
+}
 
-.bp3-icon-vertical-bar-chart-desc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+  cursor: not-allowed;
+  resize: block;
+}
 
-.bp3-icon-vertical-distribution::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled ~ span {
+  cursor: not-allowed;
+}
 
-.bp3-icon-video::before{
-  content:""; }
+/* Use our own theme for hover and option styles */
+/* stylelint-disable-next-line selector-max-type */
+.jp-HTMLSelect.jp-DefaultStyle select:hover,
+.jp-HTMLSelect.jp-DefaultStyle select > option {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-volume-down::before{
-  content:""; }
+select {
+  box-sizing: border-box;
+}
 
-.bp3-icon-volume-off::before{
-  content:""; }
-
-.bp3-icon-volume-up::before{
-  content:""; }
-
-.bp3-icon-walk::before{
-  content:""; }
-
-.bp3-icon-warning-sign::before{
-  content:""; }
-
-.bp3-icon-waterfall-chart::before{
-  content:""; }
-
-.bp3-icon-widget::before{
-  content:""; }
-
-.bp3-icon-widget-button::before{
-  content:""; }
-
-.bp3-icon-widget-footer::before{
-  content:""; }
-
-.bp3-icon-widget-header::before{
-  content:""; }
-
-.bp3-icon-wrench::before{
-  content:""; }
-
-.bp3-icon-zoom-in::before{
-  content:""; }
-
-.bp3-icon-zoom-out::before{
-  content:""; }
-
-.bp3-icon-zoom-to-fit::before{
-  content:""; }
-.bp3-submenu > .bp3-popover-wrapper{
-  display:block; }
-
-.bp3-submenu .bp3-popover-target{
-  display:block; }
-  .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{ }
-
-.bp3-submenu.bp3-popover{
-  -webkit-box-shadow:none;
-          box-shadow:none;
-  padding:0 5px; }
-  .bp3-submenu.bp3-popover > .bp3-popover-content{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-submenu.bp3-popover, .bp3-submenu.bp3-popover.bp3-dark{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-dark .bp3-submenu.bp3-popover > .bp3-popover-content, .bp3-submenu.bp3-popover.bp3-dark > .bp3-popover-content{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4); }
-.bp3-menu{
-  background:#ffffff;
-  border-radius:3px;
-  color:#182026;
-  list-style:none;
-  margin:0;
-  min-width:180px;
-  padding:5px;
-  text-align:left; }
-
-.bp3-menu-divider{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px; }
-  .bp3-dark .bp3-menu-divider{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-
-.bp3-menu-item{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:start;
-      -ms-flex-align:start;
-          align-items:flex-start;
-  border-radius:2px;
-  color:inherit;
-  line-height:20px;
-  padding:5px 7px;
-  text-decoration:none;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-menu-item > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-menu-item > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > *{
-    margin-right:7px; }
-  .bp3-menu-item:empty::before,
-  .bp3-menu-item > :last-child{
-    margin-right:0; }
-  .bp3-menu-item > .bp3-fill{
-    word-break:break-word; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    background-color:rgba(167, 182, 194, 0.3);
-    cursor:pointer;
-    text-decoration:none; }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-dark .bp3-menu-item{
-    color:inherit; }
-    .bp3-dark .bp3-menu-item:hover, .bp3-dark .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item, .bp3-submenu .bp3-dark .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-      background-color:rgba(138, 155, 168, 0.15);
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-disabled{
-      background-color:inherit;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-menu-item.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-primary::before, .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary.bp3-active{
-      background-color:#137cbd; }
-    .bp3-menu-item.bp3-intent-primary:active{
-      background-color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::before, .bp3-menu-item.bp3-intent-primary:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-primary:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary:active, .bp3-menu-item.bp3-intent-primary:active::before, .bp3-menu-item.bp3-intent-primary:active::after,
-    .bp3-menu-item.bp3-intent-primary:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary.bp3-active, .bp3-menu-item.bp3-intent-primary.bp3-active::before, .bp3-menu-item.bp3-intent-primary.bp3-active::after,
-    .bp3-menu-item.bp3-intent-primary.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-success::before, .bp3-menu-item.bp3-intent-success::after,
-    .bp3-menu-item.bp3-intent-success .bp3-menu-item-label{
-      color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success.bp3-active{
-      background-color:#0f9960; }
-    .bp3-menu-item.bp3-intent-success:active{
-      background-color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::before, .bp3-menu-item.bp3-intent-success:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-success:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success:active, .bp3-menu-item.bp3-intent-success:active::before, .bp3-menu-item.bp3-intent-success:active::after,
-    .bp3-menu-item.bp3-intent-success:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success.bp3-active, .bp3-menu-item.bp3-intent-success.bp3-active::before, .bp3-menu-item.bp3-intent-success.bp3-active::after,
-    .bp3-menu-item.bp3-intent-success.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-warning::before, .bp3-menu-item.bp3-intent-warning::after,
-    .bp3-menu-item.bp3-intent-warning .bp3-menu-item-label{
-      color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning.bp3-active{
-      background-color:#d9822b; }
-    .bp3-menu-item.bp3-intent-warning:active{
-      background-color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::before, .bp3-menu-item.bp3-intent-warning:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-warning:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning:active, .bp3-menu-item.bp3-intent-warning:active::before, .bp3-menu-item.bp3-intent-warning:active::after,
-    .bp3-menu-item.bp3-intent-warning:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning.bp3-active, .bp3-menu-item.bp3-intent-warning.bp3-active::before, .bp3-menu-item.bp3-intent-warning.bp3-active::after,
-    .bp3-menu-item.bp3-intent-warning.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-danger{
-    color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-danger::before, .bp3-menu-item.bp3-intent-danger::after,
-    .bp3-menu-item.bp3-intent-danger .bp3-menu-item-label{
-      color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger.bp3-active{
-      background-color:#db3737; }
-    .bp3-menu-item.bp3-intent-danger:active{
-      background-color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::before, .bp3-menu-item.bp3-intent-danger:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-danger:hover .bp3-menu-item-label,
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-      color:#ffffff; }
-  .bp3-menu-item::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    margin-right:7px; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > .bp3-icon{
-    color:#5c7080;
-    margin-top:2px; }
-  .bp3-menu-item .bp3-menu-item-label{
-    color:#5c7080; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    color:inherit; }
-  .bp3-menu-item.bp3-active, .bp3-menu-item:active{
-    background-color:rgba(115, 134, 148, 0.3); }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit !important;
-    color:rgba(92, 112, 128, 0.6) !important;
-    cursor:not-allowed !important;
-    outline:none !important; }
-    .bp3-menu-item.bp3-disabled::before,
-    .bp3-menu-item.bp3-disabled > .bp3-icon,
-    .bp3-menu-item.bp3-disabled .bp3-menu-item-label{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-large .bp3-menu-item{
-    font-size:16px;
-    line-height:22px;
-    padding:9px 7px; }
-    .bp3-large .bp3-menu-item .bp3-icon{
-      margin-top:3px; }
-    .bp3-large .bp3-menu-item::before{
-      font-family:"Icons20", sans-serif;
-      font-size:20px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased;
-      margin-right:10px;
-      margin-top:1px; }
-
-button.bp3-menu-item{
-  background:none;
-  border:none;
-  text-align:left;
-  width:100%; }
-.bp3-menu-header{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px;
-  cursor:default;
-  padding-left:2px; }
-  .bp3-dark .bp3-menu-header{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-  .bp3-menu-header:first-of-type{
-    border-top:none; }
-  .bp3-menu-header > h6{
-    color:#182026;
-    font-weight:600;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    line-height:17px;
-    margin:0;
-    padding:10px 7px 0 1px; }
-    .bp3-dark .bp3-menu-header > h6{
-      color:#f5f8fa; }
-  .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-  .bp3-large .bp3-menu-header > h6{
-    font-size:18px;
-    padding-bottom:5px;
-    padding-top:15px; }
-  .bp3-large .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-
-.bp3-dark .bp3-menu{
-  background:#30404d;
-  color:#f5f8fa; }
-
-.bp3-dark .bp3-menu-item{ }
-  .bp3-dark .bp3-menu-item.bp3-intent-primary{
-    color:#48aff0; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary::before, .bp3-dark .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#48aff0; }
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-      background-color:#137cbd; }
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-      background-color:#106ba3; }
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-    color:#3dcc91; }
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-      color:#3dcc91; }
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-      background-color:#0f9960; }
-    .bp3-dark .bp3-menu-item.bp3-intent-success:active{
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-.bp3-progress-bar{
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-.bp3-progress-bar.bp3-intent-primary .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-success .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-warning .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-danger .bp3-progress-meter{
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-  to{
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-.bp3-slider-track{
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-.bp3-slider-progress{
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-  .bp3-slider-progress.bp3-intent-primary{
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-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  .bp3-omnibar.bp3-overlay-exit-active{
-    -webkit-filter:blur(20px);
-            filter:blur(20px);
-    opacity:0.2;
-    -webkit-transition-delay:0;
-            transition-delay:0;
-    -webkit-transition-duration:200ms;
-            transition-duration:200ms;
-    -webkit-transition-property:opacity, -webkit-filter;
-    transition-property:opacity, -webkit-filter;
-    transition-property:filter, opacity;
-    transition-property:filter, opacity, -webkit-filter;
-    -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-            transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-omnibar .bp3-input{
-    background-color:transparent;
-    border-radius:0; }
-    .bp3-omnibar .bp3-input, .bp3-omnibar .bp3-input:focus{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-omnibar .bp3-menu{
-    background-color:transparent;
-    border-radius:0;
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-    max-height:calc(60vh - 40px);
-    overflow:auto; }
-    .bp3-omnibar .bp3-menu:empty{
-      display:none; }
-  .bp3-dark .bp3-omnibar, .bp3-omnibar.bp3-dark{
-    background-color:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4); }
-
-.bp3-omnibar-overlay .bp3-overlay-backdrop{
-  background-color:rgba(16, 22, 26, 0.2); }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
-
-.bp3-multi-select{
-  min-width:150px; }
-
-.bp3-multi-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto; }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
-
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
 
-/* Icons urls */
+.jp-StatusBar-Widget {
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color2);
+  min-height: var(--jp-statusbar-height);
+  justify-content: space-between;
+  padding: 0 10px;
+}
 
-:root {
-  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-bug: url(data:image/svg+xml;base64,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);
-  --jp-icon-build: url(data:image/svg+xml;base64,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);
-  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
-  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTYuMTdMNC44MyAxMmwtMS40MiAxLjQxTDkgMTkgMjEgN2wtMS40MS0xLjQxeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-regex: url(data:image/svg+xml;base64,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);
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-  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-search: url(data:image/svg+xml;base64,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);
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-  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-tag: url(data:image/svg+xml;base64,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);
-  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
-  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTUgMTVIM3YyaDEydi0yem0wLThIM3YyaDEyVjd6TTMgMTNoMTh2LTJIM3Yyem0wIDhoMTh2LTJIM3Yyek0zIDN2MmgxOFYzSDN6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-toc: url(data:image/svg+xml;base64,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);
-  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
-  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+.jp-StatusBar-Left {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
 
-/* Icon CSS class declarations */
+.jp-StatusBar-Middle {
+  display: flex;
+  align-items: center;
+}
 
-.jp-AddIcon {
-  background-image: var(--jp-icon-add);
+.jp-StatusBar-Right {
+  display: flex;
+  align-items: center;
+  flex-direction: row-reverse;
 }
-.jp-BugIcon {
-  background-image: var(--jp-icon-bug);
+
+.jp-StatusBar-Item {
+  max-height: var(--jp-statusbar-height);
+  margin: 0 2px;
+  height: var(--jp-statusbar-height);
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  color: var(--jp-ui-font-color1);
+  padding: 0 6px;
 }
-.jp-BuildIcon {
-  background-image: var(--jp-icon-build);
+
+.jp-mod-highlighted:hover {
+  background-color: var(--jp-layout-color3);
 }
-.jp-CaretDownEmptyIcon {
-  background-image: var(--jp-icon-caret-down-empty);
+
+.jp-mod-clicked {
+  background-color: var(--jp-brand-color1);
 }
-.jp-CaretDownEmptyThinIcon {
-  background-image: var(--jp-icon-caret-down-empty-thin);
+
+.jp-mod-clicked:hover {
+  background-color: var(--jp-brand-color0);
 }
-.jp-CaretDownIcon {
-  background-image: var(--jp-icon-caret-down);
+
+.jp-mod-clicked .jp-StatusBar-TextItem {
+  color: var(--jp-ui-inverse-font-color1);
 }
-.jp-CaretLeftIcon {
-  background-image: var(--jp-icon-caret-left);
+
+.jp-StatusBar-HoverItem {
+  box-shadow: '0px 4px 4px rgba(0, 0, 0, 0.25)';
 }
-.jp-CaretRightIcon {
-  background-image: var(--jp-icon-caret-right);
+
+.jp-StatusBar-TextItem {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  line-height: 24px;
+  color: var(--jp-ui-font-color1);
 }
-.jp-CaretUpEmptyThinIcon {
-  background-image: var(--jp-icon-caret-up-empty-thin);
+
+.jp-StatusBar-GroupItem {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
-.jp-CaretUpIcon {
-  background-image: var(--jp-icon-caret-up);
+
+.jp-Statusbar-ProgressCircle svg {
+  display: block;
+  margin: 0 auto;
+  width: 16px;
+  height: 24px;
+  align-self: normal;
 }
-.jp-CaseSensitiveIcon {
-  background-image: var(--jp-icon-case-sensitive);
+
+.jp-Statusbar-ProgressCircle path {
+  fill: var(--jp-inverse-layout-color3);
 }
-.jp-CheckIcon {
-  background-image: var(--jp-icon-check);
-}
-.jp-CircleEmptyIcon {
-  background-image: var(--jp-icon-circle-empty);
-}
-.jp-CircleIcon {
-  background-image: var(--jp-icon-circle);
+
+.jp-Statusbar-ProgressBar-progress-bar {
+  height: 10px;
+  width: 100px;
+  border: solid 0.25px var(--jp-brand-color2);
+  border-radius: 3px;
+  overflow: hidden;
+  align-self: center;
 }
-.jp-ClearIcon {
-  background-image: var(--jp-icon-clear);
+
+.jp-Statusbar-ProgressBar-progress-bar > div {
+  background-color: var(--jp-brand-color2);
+  background-image: linear-gradient(
+    -45deg,
+    rgba(255, 255, 255, 0.2) 25%,
+    transparent 25%,
+    transparent 50%,
+    rgba(255, 255, 255, 0.2) 50%,
+    rgba(255, 255, 255, 0.2) 75%,
+    transparent 75%,
+    transparent
+  );
+  background-size: 40px 40px;
+  float: left;
+  width: 0%;
+  height: 100%;
+  font-size: 12px;
+  line-height: 14px;
+  color: #fff;
+  text-align: center;
+  animation: jp-Statusbar-ExecutionTime-progress-bar 2s linear infinite;
 }
-.jp-CloseIcon {
-  background-image: var(--jp-icon-close);
+
+.jp-Statusbar-ProgressBar-progress-bar p {
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+  font-size: var(--jp-ui-font-size1);
+  line-height: 10px;
+  width: 100px;
 }
-.jp-CodeIcon {
-  background-image: var(--jp-icon-code);
+
+@keyframes jp-Statusbar-ExecutionTime-progress-bar {
+  0% {
+    background-position: 0 0;
+  }
+
+  100% {
+    background-position: 40px 40px;
+  }
 }
-.jp-ConsoleIcon {
-  background-image: var(--jp-icon-console);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-commandpalette-search-height: 28px;
 }
-.jp-CopyIcon {
-  background-image: var(--jp-icon-copy);
+
+/*-----------------------------------------------------------------------------
+| Overall styles
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette {
+  padding-bottom: 0;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-CutIcon {
-  background-image: var(--jp-icon-cut);
+
+/*-----------------------------------------------------------------------------
+| Modal variant
+|----------------------------------------------------------------------------*/
+
+.jp-ModalCommandPalette {
+  position: absolute;
+  z-index: 10000;
+  top: 38px;
+  left: 30%;
+  margin: 0;
+  padding: 4px;
+  width: 40%;
+  box-shadow: var(--jp-elevation-z4);
+  border-radius: 4px;
+  background: var(--jp-layout-color0);
 }
-.jp-DownloadIcon {
-  background-image: var(--jp-icon-download);
+
+.jp-ModalCommandPalette .lm-CommandPalette {
+  max-height: 40vh;
 }
-.jp-EditIcon {
-  background-image: var(--jp-icon-edit);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-close-icon::after {
+  display: none;
 }
-.jp-EllipsesIcon {
-  background-image: var(--jp-icon-ellipses);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
+  display: none;
 }
-.jp-ExtensionIcon {
-  background-image: var(--jp-icon-extension);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
+  margin-left: 4px;
+  margin-right: 4px;
 }
-.jp-FastForwardIcon {
-  background-image: var(--jp-icon-fast-forward);
+
+.jp-ModalCommandPalette
+  .lm-CommandPalette
+  .lm-CommandPalette-item.lm-mod-disabled {
+  display: none;
 }
-.jp-FileIcon {
-  background-image: var(--jp-icon-file);
+
+/*-----------------------------------------------------------------------------
+| Search
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-search {
+  padding: 4px;
+  background-color: var(--jp-layout-color1);
+  z-index: 2;
 }
-.jp-FileUploadIcon {
-  background-image: var(--jp-icon-file-upload);
+
+.lm-CommandPalette-wrapper {
+  overflow: overlay;
+  padding: 0 9px;
+  background-color: var(--jp-input-active-background);
+  height: 30px;
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
 }
-.jp-FilterListIcon {
-  background-image: var(--jp-icon-filter-list);
+
+.lm-CommandPalette.lm-mod-focused .lm-CommandPalette-wrapper {
+  box-shadow: inset 0 0 0 1px var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
 }
-.jp-FolderIcon {
-  background-image: var(--jp-icon-folder);
+
+.jp-SearchIconGroup {
+  color: white;
+  background-color: var(--jp-brand-color1);
+  position: absolute;
+  top: 4px;
+  right: 4px;
+  padding: 5px 5px 1px;
 }
-.jp-Html5Icon {
-  background-image: var(--jp-icon-html5);
+
+.jp-SearchIconGroup svg {
+  height: 20px;
+  width: 20px;
 }
-.jp-ImageIcon {
-  background-image: var(--jp-icon-image);
+
+.jp-SearchIconGroup .jp-icon3[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-InspectorIcon {
-  background-image: var(--jp-icon-inspector);
+
+.lm-CommandPalette-input {
+  background: transparent;
+  width: calc(100% - 18px);
+  float: left;
+  border: none;
+  outline: none;
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  line-height: var(--jp-private-commandpalette-search-height);
 }
-.jp-JsonIcon {
-  background-image: var(--jp-icon-json);
+
+.lm-CommandPalette-input::-webkit-input-placeholder,
+.lm-CommandPalette-input::-moz-placeholder,
+.lm-CommandPalette-input:-ms-input-placeholder {
+  color: var(--jp-ui-font-color2);
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-JupyterFaviconIcon {
-  background-image: var(--jp-icon-jupyter-favicon);
+
+/*-----------------------------------------------------------------------------
+| Results
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-header:first-child {
+  margin-top: 0;
 }
-.jp-JupyterIcon {
-  background-image: var(--jp-icon-jupyter);
+
+.lm-CommandPalette-header {
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin-top: 8px;
+  padding: 8px 0 8px 12px;
+  text-transform: uppercase;
 }
-.jp-JupyterlabWordmarkIcon {
-  background-image: var(--jp-icon-jupyterlab-wordmark);
+
+.lm-CommandPalette-header.lm-mod-active {
+  background: var(--jp-layout-color2);
 }
-.jp-KernelIcon {
-  background-image: var(--jp-icon-kernel);
+
+.lm-CommandPalette-header > mark {
+  background-color: transparent;
+  font-weight: bold;
+  color: var(--jp-ui-font-color1);
 }
-.jp-KeyboardIcon {
-  background-image: var(--jp-icon-keyboard);
+
+.lm-CommandPalette-item {
+  padding: 4px 12px 4px 4px;
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  font-weight: 400;
+  display: flex;
 }
-.jp-LauncherIcon {
-  background-image: var(--jp-icon-launcher);
+
+.lm-CommandPalette-item.lm-mod-disabled {
+  color: var(--jp-ui-font-color2);
 }
-.jp-LineFormIcon {
-  background-image: var(--jp-icon-line-form);
+
+.lm-CommandPalette-item.lm-mod-active {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-LinkIcon {
-  background-image: var(--jp-icon-link);
+
+.lm-CommandPalette-item.lm-mod-active .lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-inverse-font-color0);
 }
-.jp-ListIcon {
-  background-image: var(--jp-icon-list);
+
+.lm-CommandPalette-item.lm-mod-active .jp-icon-selectable[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-ListingsInfoIcon {
-  background-image: var(--jp-icon-listings-info);
+
+.lm-CommandPalette-item.lm-mod-active:hover:not(.lm-mod-disabled) {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-MarkdownIcon {
-  background-image: var(--jp-icon-markdown);
+
+.lm-CommandPalette-item:hover:not(.lm-mod-active):not(.lm-mod-disabled) {
+  background: var(--jp-layout-color2);
 }
-.jp-NewFolderIcon {
-  background-image: var(--jp-icon-new-folder);
+
+.lm-CommandPalette-itemContent {
+  overflow: hidden;
 }
-.jp-NotTrustedIcon {
-  background-image: var(--jp-icon-not-trusted);
+
+.lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-font-color0);
+  background-color: transparent;
+  font-weight: bold;
 }
-.jp-NotebookIcon {
-  background-image: var(--jp-icon-notebook);
+
+.lm-CommandPalette-item.lm-mod-disabled mark {
+  color: var(--jp-ui-font-color2);
 }
-.jp-NumberingIcon {
-  background-image: var(--jp-icon-numbering);
-}
-.jp-OfflineBoltIcon {
-  background-image: var(--jp-icon-offline-bolt);
-}
-.jp-PaletteIcon {
-  background-image: var(--jp-icon-palette);
-}
-.jp-PasteIcon {
-  background-image: var(--jp-icon-paste);
-}
-.jp-PdfIcon {
-  background-image: var(--jp-icon-pdf);
-}
-.jp-PythonIcon {
-  background-image: var(--jp-icon-python);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemIcon {
+  margin: 0 4px 0 0;
+  position: relative;
+  width: 16px;
+  top: 2px;
+  flex: 0 0 auto;
 }
-.jp-RKernelIcon {
-  background-image: var(--jp-icon-r-kernel);
+
+.lm-CommandPalette-item.lm-mod-disabled .lm-CommandPalette-itemIcon {
+  opacity: 0.6;
 }
-.jp-ReactIcon {
-  background-image: var(--jp-icon-react);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemShortcut {
+  flex: 0 0 auto;
 }
-.jp-RedoIcon {
-  background-image: var(--jp-icon-redo);
+
+.lm-CommandPalette-itemCaption {
+  display: none;
 }
-.jp-RefreshIcon {
-  background-image: var(--jp-icon-refresh);
+
+.lm-CommandPalette-content {
+  background-color: var(--jp-layout-color1);
 }
-.jp-RegexIcon {
-  background-image: var(--jp-icon-regex);
+
+.lm-CommandPalette-content:empty::after {
+  content: 'No results';
+  margin: auto;
+  margin-top: 20px;
+  width: 100px;
+  display: block;
+  font-size: var(--jp-ui-font-size2);
+  font-family: var(--jp-ui-font-family);
+  font-weight: lighter;
 }
-.jp-RunIcon {
-  background-image: var(--jp-icon-run);
+
+.lm-CommandPalette-emptyMessage {
+  text-align: center;
+  margin-top: 24px;
+  line-height: 1.32;
+  padding: 0 8px;
+  color: var(--jp-content-font-color3);
 }
-.jp-RunningIcon {
-  background-image: var(--jp-icon-running);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.jp-Dialog {
+  position: absolute;
+  z-index: 10000;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  top: 0;
+  left: 0;
+  margin: 0;
+  padding: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-dialog-background);
 }
-.jp-SaveIcon {
-  background-image: var(--jp-icon-save);
+
+.jp-Dialog-content {
+  display: flex;
+  flex-direction: column;
+  margin-left: auto;
+  margin-right: auto;
+  background: var(--jp-layout-color1);
+  padding: 24px 24px 12px;
+  min-width: 300px;
+  min-height: 150px;
+  max-width: 1000px;
+  max-height: 500px;
+  box-sizing: border-box;
+  box-shadow: var(--jp-elevation-z20);
+  word-wrap: break-word;
+  border-radius: var(--jp-border-radius);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color1);
+  resize: both;
 }
-.jp-SearchIcon {
-  background-image: var(--jp-icon-search);
+
+.jp-Dialog-content.jp-Dialog-content-small {
+  max-width: 500px;
 }
-.jp-SettingsIcon {
-  background-image: var(--jp-icon-settings);
+
+.jp-Dialog-button {
+  overflow: visible;
 }
-.jp-SpreadsheetIcon {
-  background-image: var(--jp-icon-spreadsheet);
+
+button.jp-Dialog-button:focus {
+  outline: 1px solid var(--jp-brand-color1);
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-StopIcon {
-  background-image: var(--jp-icon-stop);
+
+button.jp-Dialog-button:focus::-moz-focus-inner {
+  border: 0;
 }
-.jp-TabIcon {
-  background-image: var(--jp-icon-tab);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-TableRowsIcon {
-  background-image: var(--jp-icon-table-rows);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus {
+  outline: 1px solid var(--jp-accept-color-normal, var(--jp-brand-color1));
 }
-.jp-TagIcon {
-  background-image: var(--jp-icon-tag);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus {
+  outline: 1px solid var(--jp-warn-color-normal, var(--jp-error-color1));
 }
-.jp-TerminalIcon {
-  background-image: var(--jp-icon-terminal);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline: 1px solid var(--jp-reject-color-normal, var(--md-grey-600));
 }
-.jp-TextEditorIcon {
-  background-image: var(--jp-icon-text-editor);
+
+button.jp-Dialog-close-button {
+  padding: 0;
+  height: 100%;
+  min-width: unset;
+  min-height: unset;
 }
-.jp-TocIcon {
-  background-image: var(--jp-icon-toc);
+
+.jp-Dialog-header {
+  display: flex;
+  justify-content: space-between;
+  flex: 0 0 auto;
+  padding-bottom: 12px;
+  font-size: var(--jp-ui-font-size3);
+  font-weight: 400;
+  color: var(--jp-ui-font-color1);
 }
-.jp-TreeViewIcon {
-  background-image: var(--jp-icon-tree-view);
+
+.jp-Dialog-body {
+  display: flex;
+  flex-direction: column;
+  flex: 1 1 auto;
+  font-size: var(--jp-ui-font-size1);
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
 }
-.jp-TrustedIcon {
-  background-image: var(--jp-icon-trusted);
+
+.jp-Dialog-footer {
+  display: flex;
+  flex-direction: row;
+  justify-content: flex-end;
+  align-items: center;
+  flex: 0 0 auto;
+  margin-left: -12px;
+  margin-right: -12px;
+  padding: 12px;
 }
-.jp-UndoIcon {
-  background-image: var(--jp-icon-undo);
+
+.jp-Dialog-checkbox {
+  padding-right: 5px;
 }
-.jp-VegaIcon {
-  background-image: var(--jp-icon-vega);
+
+.jp-Dialog-checkbox > input:focus-visible {
+  outline: 1px solid var(--jp-input-active-border-color);
+  outline-offset: 1px;
 }
-.jp-YamlIcon {
-  background-image: var(--jp-icon-yaml);
+
+.jp-Dialog-spacer {
+  flex: 1 1 auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+.jp-Dialog-title {
+  overflow: hidden;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+}
 
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+.jp-Dialog-body > .jp-select-wrapper {
+  width: 100%;
+}
 
-:root {
-  --jp-icon-search-white: url(data:image/svg+xml;base64,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);
+.jp-Dialog-body > button {
+  padding: 0 16px;
 }
 
-.jp-Icon,
-.jp-MaterialIcon {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
+.jp-Dialog-body > label {
+  line-height: 1.4;
+  color: var(--jp-ui-font-color0);
 }
 
-.jp-Icon-cover {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: cover;
+.jp-Dialog-button.jp-mod-styled:not(:last-child) {
+  margin-right: 12px;
 }
 
-/**
- * (DEPRECATED) Support for specific CSS icon sizes
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
 
-.jp-Icon-16 {
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
-}
-
-.jp-Icon-18 {
-  background-size: 18px;
-  min-width: 18px;
-  min-height: 18px;
+.jp-Input-Boolean-Dialog {
+  flex-direction: row-reverse;
+  align-items: end;
+  width: 100%;
 }
 
-.jp-Icon-20 {
-  background-size: 20px;
-  min-width: 20px;
-  min-height: 20px;
+.jp-Input-Boolean-Dialog > label {
+  flex: 1 1 auto;
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/**
- * Support for icons as inline SVG HTMLElements
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-/* recolor the accent elements of an icon */
-.jp-icon-accent0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-accent1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-accent2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-accent3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-accent4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-accent0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-accent1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-accent2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-accent3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-accent4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-/* set the color of an icon to transparent */
-.jp-icon-none[fill] {
-  fill: none;
-}
-
-.jp-icon-none[stroke] {
-  stroke: none;
-}
-/* brand icon colors. Same for light and dark */
-.jp-icon-brand0[fill] {
-  fill: var(--jp-brand-color0);
-}
-.jp-icon-brand1[fill] {
-  fill: var(--jp-brand-color1);
-}
-.jp-icon-brand2[fill] {
-  fill: var(--jp-brand-color2);
-}
-.jp-icon-brand3[fill] {
-  fill: var(--jp-brand-color3);
-}
-.jp-icon-brand4[fill] {
-  fill: var(--jp-brand-color4);
-}
-
-.jp-icon-brand0[stroke] {
-  stroke: var(--jp-brand-color0);
-}
-.jp-icon-brand1[stroke] {
-  stroke: var(--jp-brand-color1);
-}
-.jp-icon-brand2[stroke] {
-  stroke: var(--jp-brand-color2);
-}
-.jp-icon-brand3[stroke] {
-  stroke: var(--jp-brand-color3);
-}
-.jp-icon-brand4[stroke] {
-  stroke: var(--jp-brand-color4);
-}
-/* warn icon colors. Same for light and dark */
-.jp-icon-warn0[fill] {
-  fill: var(--jp-warn-color0);
-}
-.jp-icon-warn1[fill] {
-  fill: var(--jp-warn-color1);
-}
-.jp-icon-warn2[fill] {
-  fill: var(--jp-warn-color2);
-}
-.jp-icon-warn3[fill] {
-  fill: var(--jp-warn-color3);
-}
-
-.jp-icon-warn0[stroke] {
-  stroke: var(--jp-warn-color0);
-}
-.jp-icon-warn1[stroke] {
-  stroke: var(--jp-warn-color1);
-}
-.jp-icon-warn2[stroke] {
-  stroke: var(--jp-warn-color2);
-}
-.jp-icon-warn3[stroke] {
-  stroke: var(--jp-warn-color3);
-}
-/* icon colors that contrast well with each other and most backgrounds */
-.jp-icon-contrast0[fill] {
-  fill: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[fill] {
-  fill: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[fill] {
-  fill: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[fill] {
-  fill: var(--jp-icon-contrast-color3);
-}
-
-.jp-icon-contrast0[stroke] {
-  stroke: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[stroke] {
-  stroke: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[stroke] {
-  stroke: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[stroke] {
-  stroke: var(--jp-icon-contrast-color3);
-}
-
-/* CSS for icons in selected items in the settings editor */
-#setting-editor .jp-PluginList .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-#setting-editor
-  .jp-PluginList
-  .jp-mod-selected
-  .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected filebrowser listing items */
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected tabs in the sidebar tab manager */
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable[fill] {
-  fill: #fff;
+.jp-MainAreaWidget > :focus {
+  outline: none;
 }
 
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable[fill] {
-  fill: var(--jp-brand-color1);
+.jp-MainAreaWidget .jp-MainAreaWidget-error {
+  padding: 6px;
 }
 
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable-inverse[fill] {
-  fill: #fff;
+.jp-MainAreaWidget .jp-MainAreaWidget-error > pre {
+  width: auto;
+  padding: 10px;
+  background: var(--jp-error-color3);
+  border: var(--jp-border-width) solid var(--jp-error-color1);
+  border-radius: var(--jp-border-radius);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  white-space: pre-wrap;
+  word-wrap: break-word;
 }
 
-/**
- * TODO: come up with non css-hack solution for showing the busy icon on top
- *  of the close icon
- * CSS for complex behavior of close icon of tabs in the sidebar tab manager
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty.jp-mod-active
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: #fff;
-}
-
-/**
-* TODO: come up with non css-hack solution for showing the busy icon on top
-*  of the close icon
-* CSS for complex behavior of close icon of tabs in the main area tabbar
-*/
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-/* CSS for icons in status bar */
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-/* special handling for splash icon CSS. While the theme CSS reloads during
-   splash, the splash icon can loose theming. To prevent that, we set a
-   default for its color variable */
-:root {
-  --jp-warn-color0: var(--md-orange-700);
-}
-
-/* not sure what to do with this one, used in filebrowser listing */
-.jp-DragIcon {
-  margin-right: 4px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
 
 /**
- * Support for alt colors for icons as inline SVG HTMLElements
+ * google-material-color v1.2.6
+ * https://github.com/danlevan/google-material-color
  */
-
-/* alt recolor the primary elements of an icon */
-.jp-icon-alt .jp-icon0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-alt .jp-icon0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* alt recolor the accent elements of an icon */
-.jp-icon-alt .jp-icon-accent0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-alt .jp-icon-accent4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-alt .jp-icon-accent0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[stroke] {
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-}
-.jp-icon-alt .jp-icon-accent4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-icon-hoverShow:not(:hover) svg {
-  display: none !important;
-}
-
-/**
- * Support for hover colors for icons as inline SVG HTMLElements
- */
-
-/**
- * regular colors
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon-hover :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
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-.jp-icon-hover :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/* recolor the accent elements of an icon */
-.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* set the color of an icon to transparent */
-.jp-icon-hover :hover .jp-icon-none-hover[fill] {
-  fill: none;
-}
-
-.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
-  stroke: none;
-}
-
-/**
- * inverse colors
- */
-
-/* inverse recolor the primary elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* inverse recolor the accent elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-switch {
-  display: flex;
-  align-items: center;
-  padding-left: 4px;
-  padding-right: 4px;
-  font-size: var(--jp-ui-font-size1);
-  background-color: transparent;
-  color: var(--jp-ui-font-color1);
-  border: none;
-  height: 20px;
-}
-
-.jp-switch:hover {
-  background-color: var(--jp-layout-color2);
-}
-
-.jp-switch-label {
-  margin-right: 5px;
-}
-
-.jp-switch-track {
-  cursor: pointer;
-  background-color: var(--jp-border-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 34px;
-  height: 16px;
-  width: 35px;
-  position: relative;
-}
-
-.jp-switch-track::before {
-  content: '';
-  position: absolute;
-  height: 10px;
-  width: 10px;
-  margin: 3px;
-  left: 0px;
-  background-color: var(--jp-ui-inverse-font-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 50%;
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track {
-  background-color: var(--jp-warn-color0);
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track::before {
-  /* track width (35) - margins (3 + 3) - thumb width (10) */
-  left: 19px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/* Sibling imports */
-
-/* Override Blueprint's _reset.scss styles */
-html {
-  box-sizing: unset;
-}
-
-*,
-*::before,
-*::after {
-  box-sizing: unset;
-}
-
-body {
-  color: unset;
-  font-family: var(--jp-ui-font-family);
-}
-
-p {
-  margin-top: unset;
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-}
-
-small {
-  font-size: unset;
-}
-
-strong {
-  font-weight: unset;
-}
-
-/* Override Blueprint's _typography.scss styles */
-a {
-  text-decoration: unset;
-  color: unset;
-}
-a:hover {
-  text-decoration: unset;
-  color: unset;
-}
-
-/* Override Blueprint's _accessibility.scss styles */
-:focus {
-  outline: unset;
-  outline-offset: unset;
-  -moz-outline-radius: unset;
-}
-
-/* Styles for ui-components */
-.jp-Button {
-  border-radius: var(--jp-border-radius);
-  padding: 0px 12px;
-  font-size: var(--jp-ui-font-size1);
-}
-
-/* Use our own theme for hover styles */
-button.jp-Button.bp3-button.bp3-minimal:hover {
-  background-color: var(--jp-layout-color2);
-}
-.jp-Button.minimal {
-  color: unset !important;
-}
-
-.jp-Button.jp-ToolbarButtonComponent {
-  text-transform: none;
-}
-
-.jp-InputGroup input {
-  box-sizing: border-box;
-  border-radius: 0;
-  background-color: transparent;
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-
-.jp-InputGroup input:focus {
-  box-shadow: inset 0 0 0 var(--jp-border-width)
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-}
-
-.jp-InputGroup input::placeholder,
-input::placeholder {
-  color: var(--jp-ui-font-color3);
-}
-
-.jp-BPIcon {
-  display: inline-block;
-  vertical-align: middle;
-  margin: auto;
-}
-
-/* Stop blueprint futzing with our icon fills */
-.bp3-icon.jp-BPIcon > svg:not([fill]) {
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-}
-
-.jp-InputGroupAction {
-  padding: 6px;
-}
-
-.jp-HTMLSelect.jp-DefaultStyle select {
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-  font-size: var(--jp-ui-font-size1);
-  height: 24px;
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-  padding: 0 25px 0 10px;
-  text-align: left;
-  -moz-appearance: none;
-  -webkit-appearance: none;
-}
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-/* Use our own theme for hover and option styles */
-.jp-HTMLSelect.jp-DefaultStyle select:hover,
-.jp-HTMLSelect.jp-DefaultStyle select > option {
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-  color: var(--jp-ui-font-color0);
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-select {
-  box-sizing: border-box;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-Collapse {
-  display: flex;
-  flex-direction: column;
-  align-items: stretch;
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-}
-
-.jp-Collapse-header {
-  padding: 1px 12px;
-  color: var(--jp-ui-font-color1);
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-.jp-Collapse-header:hover {
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-.jp-Collapse-contents {
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-  color: var(--jp-ui-font-color1);
-  overflow: auto;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
-
-:root {
-  --jp-private-commandpalette-search-height: 28px;
-}
-
-/*-----------------------------------------------------------------------------
-| Overall styles
-|----------------------------------------------------------------------------*/
-
-.lm-CommandPalette {
-  padding-bottom: 0px;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-}
-
-/*-----------------------------------------------------------------------------
-| Modal variant
-|----------------------------------------------------------------------------*/
-
-.jp-ModalCommandPalette {
-  position: absolute;
-  z-index: 10000;
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-  left: 30%;
-  margin: 0;
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-.jp-ModalCommandPalette .lm-CommandPalette {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
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-  margin-right: 4px;
-}
-
-.jp-ModalCommandPalette
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-  .lm-CommandPalette-item.lm-mod-disabled {
-  display: none;
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-
-/*-----------------------------------------------------------------------------
-| Search
-|----------------------------------------------------------------------------*/
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-.lm-CommandPalette-search {
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-/*-----------------------------------------------------------------------------
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-.lm-CommandPalette-header:first-child {
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-  border: var(--jp-border-width) solid var(--jp-border-color1);
-  padding-left: 7px;
-  padding-right: 7px;
-  font-size: var(--jp-ui-font-size2);
-  color: var(--jp-ui-font-color0);
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-input.jp-mod-styled:focus {
-  border: var(--jp-border-width) solid var(--md-blue-500);
-  box-shadow: inset 0 0 4px var(--md-blue-300);
-}
-
-.jp-select-wrapper {
-  display: flex;
-  position: relative;
-  flex-direction: column;
-  padding: 1px;
-  background-color: var(--jp-layout-color1);
-  height: 28px;
-  box-sizing: border-box;
-  margin-bottom: 12px;
-}
-
-.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
-  background-color: var(--jp-input-active-background);
-}
-
-select.jp-mod-styled:hover {
-  background-color: var(--jp-layout-color1);
-  cursor: pointer;
-  color: var(--jp-ui-font-color0);
-  background-color: var(--jp-input-hover-background);
-  box-shadow: inset 0 0px 1px rgba(0, 0, 0, 0.5);
-}
-
-select.jp-mod-styled {
-  flex: 1 1 auto;
-  height: 32px;
-  width: 100%;
-  font-size: var(--jp-ui-font-size2);
-  background: var(--jp-input-background);
-  color: var(--jp-ui-font-color0);
-  padding: 0 25px 0 8px;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
 :root {
-  --jp-private-toolbar-height: calc(
-    28px + var(--jp-border-width)
-  ); /* leave 28px for content */
-}
-
-.jp-Toolbar {
-  color: var(--jp-ui-font-color1);
-  flex: 0 0 auto;
-  display: flex;
-  flex-direction: row;
-  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
-  box-shadow: var(--jp-toolbar-box-shadow);
-  background: var(--jp-toolbar-background);
-  min-height: var(--jp-toolbar-micro-height);
-  padding: 2px;
-  z-index: 1;
-  overflow-x: hidden;
-}
-
-.jp-Toolbar:hover {
-  overflow-x: auto;
-}
-
-/* Toolbar items */
-
-.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
-  flex-grow: 1;
-  flex-shrink: 1;
-}
-
-.jp-Toolbar-item.jp-Toolbar-kernelStatus {
-  display: inline-block;
-  width: 32px;
-  background-repeat: no-repeat;
-  background-position: center;
-  background-size: 16px;
-}
-
-.jp-Toolbar > .jp-Toolbar-item {
-  flex: 0 0 auto;
-  display: flex;
-  padding-left: 1px;
-  padding-right: 1px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: var(--jp-private-toolbar-height);
-  height: 100%;
-}
-
-/* Toolbar buttons */
-
-/* This is the div we use to wrap the react component into a Widget */
-div.jp-ToolbarButton {
-  color: transparent;
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px;
-  margin: 0px;
-}
-
-button.jp-ToolbarButtonComponent {
-  background: var(--jp-layout-color1);
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px 6px;
-  margin: 0px;
-  height: 24px;
-  border-radius: var(--jp-border-radius);
-  display: flex;
-  align-items: center;
-  text-align: center;
-  font-size: 14px;
-  min-width: unset;
-  min-height: unset;
-}
-
-button.jp-ToolbarButtonComponent:disabled {
-  opacity: 0.4;
-}
-
-button.jp-ToolbarButtonComponent span {
-  padding: 0px;
-  flex: 0 0 auto;
-}
-
-button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
-  font-size: var(--jp-ui-font-size1);
-  line-height: 100%;
-  padding-left: 2px;
-  color: var(--jp-ui-font-color1);
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar.jp-Toolbar-micro {
-  padding: 0;
-  min-height: 0;
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar {
-  border: none;
-  box-shadow: none;
+  --md-red-50: #ffebee;
+  --md-red-100: #ffcdd2;
+  --md-red-200: #ef9a9a;
+  --md-red-300: #e57373;
+  --md-red-400: #ef5350;
+  --md-red-500: #f44336;
+  --md-red-600: #e53935;
+  --md-red-700: #d32f2f;
+  --md-red-800: #c62828;
+  --md-red-900: #b71c1c;
+  --md-red-A100: #ff8a80;
+  --md-red-A200: #ff5252;
+  --md-red-A400: #ff1744;
+  --md-red-A700: #d50000;
+  --md-pink-50: #fce4ec;
+  --md-pink-100: #f8bbd0;
+  --md-pink-200: #f48fb1;
+  --md-pink-300: #f06292;
+  --md-pink-400: #ec407a;
+  --md-pink-500: #e91e63;
+  --md-pink-600: #d81b60;
+  --md-pink-700: #c2185b;
+  --md-pink-800: #ad1457;
+  --md-pink-900: #880e4f;
+  --md-pink-A100: #ff80ab;
+  --md-pink-A200: #ff4081;
+  --md-pink-A400: #f50057;
+  --md-pink-A700: #c51162;
+  --md-purple-50: #f3e5f5;
+  --md-purple-100: #e1bee7;
+  --md-purple-200: #ce93d8;
+  --md-purple-300: #ba68c8;
+  --md-purple-400: #ab47bc;
+  --md-purple-500: #9c27b0;
+  --md-purple-600: #8e24aa;
+  --md-purple-700: #7b1fa2;
+  --md-purple-800: #6a1b9a;
+  --md-purple-900: #4a148c;
+  --md-purple-A100: #ea80fc;
+  --md-purple-A200: #e040fb;
+  --md-purple-A400: #d500f9;
+  --md-purple-A700: #a0f;
+  --md-deep-purple-50: #ede7f6;
+  --md-deep-purple-100: #d1c4e9;
+  --md-deep-purple-200: #b39ddb;
+  --md-deep-purple-300: #9575cd;
+  --md-deep-purple-400: #7e57c2;
+  --md-deep-purple-500: #673ab7;
+  --md-deep-purple-600: #5e35b1;
+  --md-deep-purple-700: #512da8;
+  --md-deep-purple-800: #4527a0;
+  --md-deep-purple-900: #311b92;
+  --md-deep-purple-A100: #b388ff;
+  --md-deep-purple-A200: #7c4dff;
+  --md-deep-purple-A400: #651fff;
+  --md-deep-purple-A700: #6200ea;
+  --md-indigo-50: #e8eaf6;
+  --md-indigo-100: #c5cae9;
+  --md-indigo-200: #9fa8da;
+  --md-indigo-300: #7986cb;
+  --md-indigo-400: #5c6bc0;
+  --md-indigo-500: #3f51b5;
+  --md-indigo-600: #3949ab;
+  --md-indigo-700: #303f9f;
+  --md-indigo-800: #283593;
+  --md-indigo-900: #1a237e;
+  --md-indigo-A100: #8c9eff;
+  --md-indigo-A200: #536dfe;
+  --md-indigo-A400: #3d5afe;
+  --md-indigo-A700: #304ffe;
+  --md-blue-50: #e3f2fd;
+  --md-blue-100: #bbdefb;
+  --md-blue-200: #90caf9;
+  --md-blue-300: #64b5f6;
+  --md-blue-400: #42a5f5;
+  --md-blue-500: #2196f3;
+  --md-blue-600: #1e88e5;
+  --md-blue-700: #1976d2;
+  --md-blue-800: #1565c0;
+  --md-blue-900: #0d47a1;
+  --md-blue-A100: #82b1ff;
+  --md-blue-A200: #448aff;
+  --md-blue-A400: #2979ff;
+  --md-blue-A700: #2962ff;
+  --md-light-blue-50: #e1f5fe;
+  --md-light-blue-100: #b3e5fc;
+  --md-light-blue-200: #81d4fa;
+  --md-light-blue-300: #4fc3f7;
+  --md-light-blue-400: #29b6f6;
+  --md-light-blue-500: #03a9f4;
+  --md-light-blue-600: #039be5;
+  --md-light-blue-700: #0288d1;
+  --md-light-blue-800: #0277bd;
+  --md-light-blue-900: #01579b;
+  --md-light-blue-A100: #80d8ff;
+  --md-light-blue-A200: #40c4ff;
+  --md-light-blue-A400: #00b0ff;
+  --md-light-blue-A700: #0091ea;
+  --md-cyan-50: #e0f7fa;
+  --md-cyan-100: #b2ebf2;
+  --md-cyan-200: #80deea;
+  --md-cyan-300: #4dd0e1;
+  --md-cyan-400: #26c6da;
+  --md-cyan-500: #00bcd4;
+  --md-cyan-600: #00acc1;
+  --md-cyan-700: #0097a7;
+  --md-cyan-800: #00838f;
+  --md-cyan-900: #006064;
+  --md-cyan-A100: #84ffff;
+  --md-cyan-A200: #18ffff;
+  --md-cyan-A400: #00e5ff;
+  --md-cyan-A700: #00b8d4;
+  --md-teal-50: #e0f2f1;
+  --md-teal-100: #b2dfdb;
+  --md-teal-200: #80cbc4;
+  --md-teal-300: #4db6ac;
+  --md-teal-400: #26a69a;
+  --md-teal-500: #009688;
+  --md-teal-600: #00897b;
+  --md-teal-700: #00796b;
+  --md-teal-800: #00695c;
+  --md-teal-900: #004d40;
+  --md-teal-A100: #a7ffeb;
+  --md-teal-A200: #64ffda;
+  --md-teal-A400: #1de9b6;
+  --md-teal-A700: #00bfa5;
+  --md-green-50: #e8f5e9;
+  --md-green-100: #c8e6c9;
+  --md-green-200: #a5d6a7;
+  --md-green-300: #81c784;
+  --md-green-400: #66bb6a;
+  --md-green-500: #4caf50;
+  --md-green-600: #43a047;
+  --md-green-700: #388e3c;
+  --md-green-800: #2e7d32;
+  --md-green-900: #1b5e20;
+  --md-green-A100: #b9f6ca;
+  --md-green-A200: #69f0ae;
+  --md-green-A400: #00e676;
+  --md-green-A700: #00c853;
+  --md-light-green-50: #f1f8e9;
+  --md-light-green-100: #dcedc8;
+  --md-light-green-200: #c5e1a5;
+  --md-light-green-300: #aed581;
+  --md-light-green-400: #9ccc65;
+  --md-light-green-500: #8bc34a;
+  --md-light-green-600: #7cb342;
+  --md-light-green-700: #689f38;
+  --md-light-green-800: #558b2f;
+  --md-light-green-900: #33691e;
+  --md-light-green-A100: #ccff90;
+  --md-light-green-A200: #b2ff59;
+  --md-light-green-A400: #76ff03;
+  --md-light-green-A700: #64dd17;
+  --md-lime-50: #f9fbe7;
+  --md-lime-100: #f0f4c3;
+  --md-lime-200: #e6ee9c;
+  --md-lime-300: #dce775;
+  --md-lime-400: #d4e157;
+  --md-lime-500: #cddc39;
+  --md-lime-600: #c0ca33;
+  --md-lime-700: #afb42b;
+  --md-lime-800: #9e9d24;
+  --md-lime-900: #827717;
+  --md-lime-A100: #f4ff81;
+  --md-lime-A200: #eeff41;
+  --md-lime-A400: #c6ff00;
+  --md-lime-A700: #aeea00;
+  --md-yellow-50: #fffde7;
+  --md-yellow-100: #fff9c4;
+  --md-yellow-200: #fff59d;
+  --md-yellow-300: #fff176;
+  --md-yellow-400: #ffee58;
+  --md-yellow-500: #ffeb3b;
+  --md-yellow-600: #fdd835;
+  --md-yellow-700: #fbc02d;
+  --md-yellow-800: #f9a825;
+  --md-yellow-900: #f57f17;
+  --md-yellow-A100: #ffff8d;
+  --md-yellow-A200: #ff0;
+  --md-yellow-A400: #ffea00;
+  --md-yellow-A700: #ffd600;
+  --md-amber-50: #fff8e1;
+  --md-amber-100: #ffecb3;
+  --md-amber-200: #ffe082;
+  --md-amber-300: #ffd54f;
+  --md-amber-400: #ffca28;
+  --md-amber-500: #ffc107;
+  --md-amber-600: #ffb300;
+  --md-amber-700: #ffa000;
+  --md-amber-800: #ff8f00;
+  --md-amber-900: #ff6f00;
+  --md-amber-A100: #ffe57f;
+  --md-amber-A200: #ffd740;
+  --md-amber-A400: #ffc400;
+  --md-amber-A700: #ffab00;
+  --md-orange-50: #fff3e0;
+  --md-orange-100: #ffe0b2;
+  --md-orange-200: #ffcc80;
+  --md-orange-300: #ffb74d;
+  --md-orange-400: #ffa726;
+  --md-orange-500: #ff9800;
+  --md-orange-600: #fb8c00;
+  --md-orange-700: #f57c00;
+  --md-orange-800: #ef6c00;
+  --md-orange-900: #e65100;
+  --md-orange-A100: #ffd180;
+  --md-orange-A200: #ffab40;
+  --md-orange-A400: #ff9100;
+  --md-orange-A700: #ff6d00;
+  --md-deep-orange-50: #fbe9e7;
+  --md-deep-orange-100: #ffccbc;
+  --md-deep-orange-200: #ffab91;
+  --md-deep-orange-300: #ff8a65;
+  --md-deep-orange-400: #ff7043;
+  --md-deep-orange-500: #ff5722;
+  --md-deep-orange-600: #f4511e;
+  --md-deep-orange-700: #e64a19;
+  --md-deep-orange-800: #d84315;
+  --md-deep-orange-900: #bf360c;
+  --md-deep-orange-A100: #ff9e80;
+  --md-deep-orange-A200: #ff6e40;
+  --md-deep-orange-A400: #ff3d00;
+  --md-deep-orange-A700: #dd2c00;
+  --md-brown-50: #efebe9;
+  --md-brown-100: #d7ccc8;
+  --md-brown-200: #bcaaa4;
+  --md-brown-300: #a1887f;
+  --md-brown-400: #8d6e63;
+  --md-brown-500: #795548;
+  --md-brown-600: #6d4c41;
+  --md-brown-700: #5d4037;
+  --md-brown-800: #4e342e;
+  --md-brown-900: #3e2723;
+  --md-grey-50: #fafafa;
+  --md-grey-100: #f5f5f5;
+  --md-grey-200: #eee;
+  --md-grey-300: #e0e0e0;
+  --md-grey-400: #bdbdbd;
+  --md-grey-500: #9e9e9e;
+  --md-grey-600: #757575;
+  --md-grey-700: #616161;
+  --md-grey-800: #424242;
+  --md-grey-900: #212121;
+  --md-blue-grey-50: #eceff1;
+  --md-blue-grey-100: #cfd8dc;
+  --md-blue-grey-200: #b0bec5;
+  --md-blue-grey-300: #90a4ae;
+  --md-blue-grey-400: #78909c;
+  --md-blue-grey-500: #607d8b;
+  --md-blue-grey-600: #546e7a;
+  --md-blue-grey-700: #455a64;
+  --md-blue-grey-800: #37474f;
+  --md-blue-grey-900: #263238;
 }
 
 /*-----------------------------------------------------------------------------
@@ -11160,1290 +3771,1183 @@
 
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
-| Copyright (c) 2014-2017, PhosphorJS Contributors
-|
-| Distributed under the terms of the BSD 3-Clause License.
-|
-| The full license is in the file LICENSE, distributed with this software.
+| Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ body.p-mod-override-cursor *, /* </DEPRECATED> */
-body.lm-mod-override-cursor * {
-  cursor: inherit !important;
-}
-
 /*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
+| RenderedText
 |----------------------------------------------------------------------------*/
 
-.jp-JSONEditor {
-  display: flex;
-  flex-direction: column;
-  width: 100%;
-}
-
-.jp-JSONEditor-host {
-  flex: 1 1 auto;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  background: var(--jp-layout-color0);
-  min-height: 50px;
-  padding: 1px;
-}
-
-.jp-JSONEditor.jp-mod-error .jp-JSONEditor-host {
-  border-color: red;
-  outline-color: red;
+:root {
+  /* This is the padding value to fill the gaps between lines containing spans with background color. */
+  --jp-private-code-span-padding: calc(
+    (var(--jp-code-line-height) - 1) * var(--jp-code-font-size) / 2
+  );
 }
 
-.jp-JSONEditor-header {
-  display: flex;
-  flex: 1 0 auto;
-  padding: 0 0 0 12px;
+.jp-RenderedText {
+  text-align: left;
+  padding-left: var(--jp-code-padding);
+  line-height: var(--jp-code-line-height);
+  font-family: var(--jp-code-font-family);
 }
 
-.jp-JSONEditor-header label {
-  flex: 0 0 auto;
+.jp-RenderedText pre,
+.jp-RenderedJavaScript pre,
+.jp-RenderedHTMLCommon pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+  border: none;
+  margin: 0;
+  padding: 0;
 }
 
-.jp-JSONEditor-commitButton {
-  height: 16px;
-  width: 16px;
-  background-size: 18px;
-  background-repeat: no-repeat;
-  background-position: center;
+.jp-RenderedText pre a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-host.jp-mod-focused {
-  background-color: var(--jp-input-active-background);
-  border: 1px solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.jp-Editor.jp-mod-dropTarget {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-/* BASICS */
-
-.CodeMirror {
-  /* Set height, width, borders, and global font properties here */
-  font-family: monospace;
-  height: 300px;
-  color: black;
-  direction: ltr;
+/* console foregrounds and backgrounds */
+.jp-RenderedText pre .ansi-black-fg {
+  color: #3e424d;
 }
 
-/* PADDING */
-
-.CodeMirror-lines {
-  padding: 4px 0; /* Vertical padding around content */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  padding: 0 4px; /* Horizontal padding of content */
+.jp-RenderedText pre .ansi-red-fg {
+  color: #e75c58;
 }
 
-.CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  background-color: white; /* The little square between H and V scrollbars */
+.jp-RenderedText pre .ansi-green-fg {
+  color: #00a250;
 }
 
-/* GUTTER */
-
-.CodeMirror-gutters {
-  border-right: 1px solid #ddd;
-  background-color: #f7f7f7;
-  white-space: nowrap;
-}
-.CodeMirror-linenumbers {}
-.CodeMirror-linenumber {
-  padding: 0 3px 0 5px;
-  min-width: 20px;
-  text-align: right;
-  color: #999;
-  white-space: nowrap;
+.jp-RenderedText pre .ansi-yellow-fg {
+  color: #ddb62b;
 }
 
-.CodeMirror-guttermarker { color: black; }
-.CodeMirror-guttermarker-subtle { color: #999; }
-
-/* CURSOR */
-
-.CodeMirror-cursor {
-  border-left: 1px solid black;
-  border-right: none;
-  width: 0;
-}
-/* Shown when moving in bi-directional text */
-.CodeMirror div.CodeMirror-secondarycursor {
-  border-left: 1px solid silver;
-}
-.cm-fat-cursor .CodeMirror-cursor {
-  width: auto;
-  border: 0 !important;
-  background: #7e7;
-}
-.cm-fat-cursor div.CodeMirror-cursors {
-  z-index: 1;
-}
-.cm-fat-cursor-mark {
-  background-color: rgba(20, 255, 20, 0.5);
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-}
-.cm-animate-fat-cursor {
-  width: auto;
-  border: 0;
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-  background-color: #7e7;
+.jp-RenderedText pre .ansi-blue-fg {
+  color: #208ffb;
 }
-@-moz-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+
+.jp-RenderedText pre .ansi-magenta-fg {
+  color: #d160c4;
 }
-@-webkit-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+
+.jp-RenderedText pre .ansi-cyan-fg {
+  color: #60c6c8;
 }
-@keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+
+.jp-RenderedText pre .ansi-white-fg {
+  color: #c5c1b4;
 }
 
-/* Can style cursor different in overwrite (non-insert) mode */
-.CodeMirror-overwrite .CodeMirror-cursor {}
+.jp-RenderedText pre .ansi-black-bg {
+  background-color: #3e424d;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.cm-tab { display: inline-block; text-decoration: inherit; }
+.jp-RenderedText pre .ansi-red-bg {
+  background-color: #e75c58;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rulers {
-  position: absolute;
-  left: 0; right: 0; top: -50px; bottom: 0;
-  overflow: hidden;
+.jp-RenderedText pre .ansi-green-bg {
+  background-color: #00a250;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-ruler {
-  border-left: 1px solid #ccc;
-  top: 0; bottom: 0;
-  position: absolute;
+
+.jp-RenderedText pre .ansi-yellow-bg {
+  background-color: #ddb62b;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* DEFAULT THEME */
-
-.cm-s-default .cm-header {color: blue;}
-.cm-s-default .cm-quote {color: #090;}
-.cm-negative {color: #d44;}
-.cm-positive {color: #292;}
-.cm-header, .cm-strong {font-weight: bold;}
-.cm-em {font-style: italic;}
-.cm-link {text-decoration: underline;}
-.cm-strikethrough {text-decoration: line-through;}
-
-.cm-s-default .cm-keyword {color: #708;}
-.cm-s-default .cm-atom {color: #219;}
-.cm-s-default .cm-number {color: #164;}
-.cm-s-default .cm-def {color: #00f;}
-.cm-s-default .cm-variable,
-.cm-s-default .cm-punctuation,
-.cm-s-default .cm-property,
-.cm-s-default .cm-operator {}
-.cm-s-default .cm-variable-2 {color: #05a;}
-.cm-s-default .cm-variable-3, .cm-s-default .cm-type {color: #085;}
-.cm-s-default .cm-comment {color: #a50;}
-.cm-s-default .cm-string {color: #a11;}
-.cm-s-default .cm-string-2 {color: #f50;}
-.cm-s-default .cm-meta {color: #555;}
-.cm-s-default .cm-qualifier {color: #555;}
-.cm-s-default .cm-builtin {color: #30a;}
-.cm-s-default .cm-bracket {color: #997;}
-.cm-s-default .cm-tag {color: #170;}
-.cm-s-default .cm-attribute {color: #00c;}
-.cm-s-default .cm-hr {color: #999;}
-.cm-s-default .cm-link {color: #00c;}
-
-.cm-s-default .cm-error {color: #f00;}
-.cm-invalidchar {color: #f00;}
-
-.CodeMirror-composing { border-bottom: 2px solid; }
-
-/* Default styles for common addons */
-
-div.CodeMirror span.CodeMirror-matchingbracket {color: #0b0;}
-div.CodeMirror span.CodeMirror-nonmatchingbracket {color: #a22;}
-.CodeMirror-matchingtag { background: rgba(255, 150, 0, .3); }
-.CodeMirror-activeline-background {background: #e8f2ff;}
-
-/* STOP */
-
-/* The rest of this file contains styles related to the mechanics of
-   the editor. You probably shouldn't touch them. */
-
-.CodeMirror {
-  position: relative;
-  overflow: hidden;
-  background: white;
+.jp-RenderedText pre .ansi-blue-bg {
+  background-color: #208ffb;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-scroll {
-  overflow: scroll !important; /* Things will break if this is overridden */
-  /* 50px is the magic margin used to hide the element's real scrollbars */
-  /* See overflow: hidden in .CodeMirror */
-  margin-bottom: -50px; margin-right: -50px;
-  padding-bottom: 50px;
-  height: 100%;
-  outline: none; /* Prevent dragging from highlighting the element */
-  position: relative;
+.jp-RenderedText pre .ansi-magenta-bg {
+  background-color: #d160c4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-sizer {
-  position: relative;
-  border-right: 50px solid transparent;
+
+.jp-RenderedText pre .ansi-cyan-bg {
+  background-color: #60c6c8;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* The fake, visible scrollbars. Used to force redraw during scrolling
-   before actual scrolling happens, thus preventing shaking and
-   flickering artifacts. */
-.CodeMirror-vscrollbar, .CodeMirror-hscrollbar, .CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  position: absolute;
-  z-index: 6;
-  display: none;
+.jp-RenderedText pre .ansi-white-bg {
+  background-color: #c5c1b4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-vscrollbar {
-  right: 0; top: 0;
-  overflow-x: hidden;
-  overflow-y: scroll;
+
+.jp-RenderedText pre .ansi-black-intense-fg {
+  color: #282c36;
 }
-.CodeMirror-hscrollbar {
-  bottom: 0; left: 0;
-  overflow-y: hidden;
-  overflow-x: scroll;
+
+.jp-RenderedText pre .ansi-red-intense-fg {
+  color: #b22b31;
 }
-.CodeMirror-scrollbar-filler {
-  right: 0; bottom: 0;
+
+.jp-RenderedText pre .ansi-green-intense-fg {
+  color: #007427;
 }
-.CodeMirror-gutter-filler {
-  left: 0; bottom: 0;
+
+.jp-RenderedText pre .ansi-yellow-intense-fg {
+  color: #b27d12;
 }
 
-.CodeMirror-gutters {
-  position: absolute; left: 0; top: 0;
-  min-height: 100%;
-  z-index: 3;
+.jp-RenderedText pre .ansi-blue-intense-fg {
+  color: #0065ca;
 }
-.CodeMirror-gutter {
-  white-space: normal;
-  height: 100%;
-  display: inline-block;
-  vertical-align: top;
-  margin-bottom: -50px;
+
+.jp-RenderedText pre .ansi-magenta-intense-fg {
+  color: #a03196;
 }
-.CodeMirror-gutter-wrapper {
-  position: absolute;
-  z-index: 4;
-  background: none !important;
-  border: none !important;
+
+.jp-RenderedText pre .ansi-cyan-intense-fg {
+  color: #258f8f;
 }
-.CodeMirror-gutter-background {
-  position: absolute;
-  top: 0; bottom: 0;
-  z-index: 4;
+
+.jp-RenderedText pre .ansi-white-intense-fg {
+  color: #a1a6b2;
 }
-.CodeMirror-gutter-elt {
-  position: absolute;
-  cursor: default;
-  z-index: 4;
+
+.jp-RenderedText pre .ansi-black-intense-bg {
+  background-color: #282c36;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-gutter-wrapper ::selection { background-color: transparent }
-.CodeMirror-gutter-wrapper ::-moz-selection { background-color: transparent }
 
-.CodeMirror-lines {
-  cursor: text;
-  min-height: 1px; /* prevents collapsing before first draw */
+.jp-RenderedText pre .ansi-red-intense-bg {
+  background-color: #b22b31;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  /* Reset some styles that the rest of the page might have set */
-  -moz-border-radius: 0; -webkit-border-radius: 0; border-radius: 0;
-  border-width: 0;
-  background: transparent;
-  font-family: inherit;
-  font-size: inherit;
-  margin: 0;
-  white-space: pre;
-  word-wrap: normal;
-  line-height: inherit;
-  color: inherit;
-  z-index: 2;
-  position: relative;
-  overflow: visible;
-  -webkit-tap-highlight-color: transparent;
-  -webkit-font-variant-ligatures: contextual;
-  font-variant-ligatures: contextual;
+
+.jp-RenderedText pre .ansi-green-intense-bg {
+  background-color: #007427;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-wrap pre.CodeMirror-line,
-.CodeMirror-wrap pre.CodeMirror-line-like {
-  word-wrap: break-word;
-  white-space: pre-wrap;
-  word-break: normal;
+
+.jp-RenderedText pre .ansi-yellow-intense-bg {
+  background-color: #b27d12;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linebackground {
-  position: absolute;
-  left: 0; right: 0; top: 0; bottom: 0;
-  z-index: 0;
+.jp-RenderedText pre .ansi-blue-intense-bg {
+  background-color: #0065ca;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linewidget {
-  position: relative;
-  z-index: 2;
-  padding: 0.1px; /* Force widget margins to stay inside of the container */
+.jp-RenderedText pre .ansi-magenta-intense-bg {
+  background-color: #a03196;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-widget {}
+.jp-RenderedText pre .ansi-cyan-intense-bg {
+  background-color: #258f8f;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rtl pre { direction: rtl; }
+.jp-RenderedText pre .ansi-white-intense-bg {
+  background-color: #a1a6b2;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-code {
-  outline: none;
+.jp-RenderedText pre .ansi-default-inverse-fg {
+  color: var(--jp-ui-inverse-font-color0);
 }
 
-/* Force content-box sizing for the elements where we expect it */
-.CodeMirror-scroll,
-.CodeMirror-sizer,
-.CodeMirror-gutter,
-.CodeMirror-gutters,
-.CodeMirror-linenumber {
-  -moz-box-sizing: content-box;
-  box-sizing: content-box;
+.jp-RenderedText pre .ansi-default-inverse-bg {
+  background-color: var(--jp-inverse-layout-color0);
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-measure {
-  position: absolute;
-  width: 100%;
-  height: 0;
-  overflow: hidden;
-  visibility: hidden;
+.jp-RenderedText pre .ansi-bold {
+  font-weight: bold;
 }
 
-.CodeMirror-cursor {
-  position: absolute;
-  pointer-events: none;
+.jp-RenderedText pre .ansi-underline {
+  text-decoration: underline;
 }
-.CodeMirror-measure pre { position: static; }
 
-div.CodeMirror-cursors {
-  visibility: hidden;
-  position: relative;
-  z-index: 3;
+.jp-RenderedText[data-mime-type='application/vnd.jupyter.stderr'] {
+  background: var(--jp-rendermime-error-background);
+  padding-top: var(--jp-code-padding);
 }
-div.CodeMirror-dragcursors {
-  visibility: visible;
+
+/*-----------------------------------------------------------------------------
+| RenderedLatex
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedLatex {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 }
 
-.CodeMirror-focused div.CodeMirror-cursors {
-  visibility: visible;
+/* Left-justify outputs.*/
+.jp-OutputArea-output.jp-RenderedLatex {
+  padding: var(--jp-code-padding);
+  text-align: left;
 }
 
-.CodeMirror-selected { background: #d9d9d9; }
-.CodeMirror-focused .CodeMirror-selected { background: #d7d4f0; }
-.CodeMirror-crosshair { cursor: crosshair; }
-.CodeMirror-line::selection, .CodeMirror-line > span::selection, .CodeMirror-line > span > span::selection { background: #d7d4f0; }
-.CodeMirror-line::-moz-selection, .CodeMirror-line > span::-moz-selection, .CodeMirror-line > span > span::-moz-selection { background: #d7d4f0; }
+/*-----------------------------------------------------------------------------
+| RenderedHTML
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedHTMLCommon {
+  color: var(--jp-content-font-color1);
+  font-family: var(--jp-content-font-family);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 
-.cm-searching {
-  background-color: #ffa;
-  background-color: rgba(255, 255, 0, .4);
+  /* Give a bit more R padding on Markdown text to keep line lengths reasonable */
+  padding-right: 20px;
 }
 
-/* Used to force a border model for a node */
-.cm-force-border { padding-right: .1px; }
+.jp-RenderedHTMLCommon em {
+  font-style: italic;
+}
 
-@media print {
-  /* Hide the cursor when printing */
-  .CodeMirror div.CodeMirror-cursors {
-    visibility: hidden;
-  }
+.jp-RenderedHTMLCommon strong {
+  font-weight: bold;
 }
 
-/* See issue #2901 */
-.cm-tab-wrap-hack:after { content: ''; }
+.jp-RenderedHTMLCommon u {
+  text-decoration: underline;
+}
 
-/* Help users use markselection to safely style text background */
-span.CodeMirror-selectedtext { background: none; }
+.jp-RenderedHTMLCommon a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
+}
 
-.CodeMirror-dialog {
-  position: absolute;
-  left: 0; right: 0;
-  background: inherit;
-  z-index: 15;
-  padding: .1em .8em;
-  overflow: hidden;
-  color: inherit;
+.jp-RenderedHTMLCommon a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror-dialog-top {
-  border-bottom: 1px solid #eee;
-  top: 0;
+.jp-RenderedHTMLCommon a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror-dialog-bottom {
-  border-top: 1px solid #eee;
-  bottom: 0;
+/* Headings */
+
+.jp-RenderedHTMLCommon h1,
+.jp-RenderedHTMLCommon h2,
+.jp-RenderedHTMLCommon h3,
+.jp-RenderedHTMLCommon h4,
+.jp-RenderedHTMLCommon h5,
+.jp-RenderedHTMLCommon h6 {
+  line-height: var(--jp-content-heading-line-height);
+  font-weight: var(--jp-content-heading-font-weight);
+  font-style: normal;
+  margin: var(--jp-content-heading-margin-top) 0
+    var(--jp-content-heading-margin-bottom) 0;
 }
 
-.CodeMirror-dialog input {
-  border: none;
-  outline: none;
-  background: transparent;
-  width: 20em;
-  color: inherit;
-  font-family: monospace;
+.jp-RenderedHTMLCommon h1:first-child,
+.jp-RenderedHTMLCommon h2:first-child,
+.jp-RenderedHTMLCommon h3:first-child,
+.jp-RenderedHTMLCommon h4:first-child,
+.jp-RenderedHTMLCommon h5:first-child,
+.jp-RenderedHTMLCommon h6:first-child {
+  margin-top: calc(0.5 * var(--jp-content-heading-margin-top));
 }
 
-.CodeMirror-dialog button {
-  font-size: 70%;
+.jp-RenderedHTMLCommon h1:last-child,
+.jp-RenderedHTMLCommon h2:last-child,
+.jp-RenderedHTMLCommon h3:last-child,
+.jp-RenderedHTMLCommon h4:last-child,
+.jp-RenderedHTMLCommon h5:last-child,
+.jp-RenderedHTMLCommon h6:last-child {
+  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
 }
 
-.CodeMirror-foldmarker {
-  color: blue;
-  text-shadow: #b9f 1px 1px 2px, #b9f -1px -1px 2px, #b9f 1px -1px 2px, #b9f -1px 1px 2px;
-  font-family: arial;
-  line-height: .3;
-  cursor: pointer;
-}
-.CodeMirror-foldgutter {
-  width: .7em;
-}
-.CodeMirror-foldgutter-open,
-.CodeMirror-foldgutter-folded {
-  cursor: pointer;
-}
-.CodeMirror-foldgutter-open:after {
-  content: "\25BE";
-}
-.CodeMirror-foldgutter-folded:after {
-  content: "\25B8";
+.jp-RenderedHTMLCommon h1 {
+  font-size: var(--jp-content-font-size5);
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.CodeMirror {
-  line-height: var(--jp-code-line-height);
-  font-size: var(--jp-code-font-size);
-  font-family: var(--jp-code-font-family);
-  border: 0;
-  border-radius: 0;
-  height: auto;
-  /* Changed to auto to autogrow */
+.jp-RenderedHTMLCommon h2 {
+  font-size: var(--jp-content-font-size4);
 }
 
-.CodeMirror pre {
-  padding: 0 var(--jp-code-padding);
+.jp-RenderedHTMLCommon h3 {
+  font-size: var(--jp-content-font-size3);
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-dialog {
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
+.jp-RenderedHTMLCommon h4 {
+  font-size: var(--jp-content-font-size2);
 }
 
-/* This causes https://github.com/jupyter/jupyterlab/issues/522 */
-/* May not cause it not because we changed it! */
-.CodeMirror-lines {
-  padding: var(--jp-code-padding) 0;
+.jp-RenderedHTMLCommon h5 {
+  font-size: var(--jp-content-font-size1);
 }
 
-.CodeMirror-linenumber {
-  padding: 0 8px;
+.jp-RenderedHTMLCommon h6 {
+  font-size: var(--jp-content-font-size0);
 }
 
-.jp-CodeMirrorEditor {
-  cursor: text;
-}
+/* Lists */
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
+/* stylelint-disable selector-max-type, selector-max-compound-selectors */
 
-/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
-@media screen and (min-width: 2138px) and (max-width: 4319px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width1) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon ul:not(.list-inline),
+.jp-RenderedHTMLCommon ol:not(.list-inline) {
+  padding-left: 2em;
 }
 
-/* When zoomed out less than 33% */
-@media screen and (min-width: 4320px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width2) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon ul {
+  list-style: disc;
 }
 
-.CodeMirror.jp-mod-readOnly .CodeMirror-cursor {
-  display: none;
+.jp-RenderedHTMLCommon ul ul {
+  list-style: square;
 }
 
-.CodeMirror-gutters {
-  border-right: 1px solid var(--jp-border-color2);
-  background-color: var(--jp-layout-color0);
+.jp-RenderedHTMLCommon ul ul ul {
+  list-style: circle;
 }
 
-.jp-CollaboratorCursor {
-  border-left: 5px solid transparent;
-  border-right: 5px solid transparent;
-  border-top: none;
-  border-bottom: 3px solid;
-  background-clip: content-box;
-  margin-left: -5px;
-  margin-right: -5px;
+.jp-RenderedHTMLCommon ol {
+  list-style: decimal;
 }
 
-.CodeMirror-selectedtext.cm-searching {
-  background-color: var(--jp-search-selected-match-background-color) !important;
-  color: var(--jp-search-selected-match-color) !important;
+.jp-RenderedHTMLCommon ol ol {
+  list-style: upper-alpha;
 }
 
-.cm-searching {
-  background-color: var(
-    --jp-search-unselected-match-background-color
-  ) !important;
-  color: var(--jp-search-unselected-match-color) !important;
+.jp-RenderedHTMLCommon ol ol ol {
+  list-style: lower-alpha;
 }
 
-.CodeMirror-focused .CodeMirror-selected {
-  background-color: var(--jp-editor-selected-focused-background);
+.jp-RenderedHTMLCommon ol ol ol ol {
+  list-style: lower-roman;
 }
 
-.CodeMirror-selected {
-  background-color: var(--jp-editor-selected-background);
+.jp-RenderedHTMLCommon ol ol ol ol ol {
+  list-style: decimal;
 }
 
-.jp-CollaboratorCursor-hover {
-  position: absolute;
-  z-index: 1;
-  transform: translateX(-50%);
-  color: white;
-  border-radius: 3px;
-  padding-left: 4px;
-  padding-right: 4px;
-  padding-top: 1px;
-  padding-bottom: 1px;
-  text-align: center;
-  font-size: var(--jp-ui-font-size1);
-  white-space: nowrap;
+.jp-RenderedHTMLCommon ol,
+.jp-RenderedHTMLCommon ul {
+  margin-bottom: 1em;
 }
 
-.jp-CodeMirror-ruler {
-  border-left: 1px dashed var(--jp-border-color2);
+.jp-RenderedHTMLCommon ul ul,
+.jp-RenderedHTMLCommon ul ol,
+.jp-RenderedHTMLCommon ol ul,
+.jp-RenderedHTMLCommon ol ol {
+  margin-bottom: 0;
 }
 
-/**
- * Here is our jupyter theme for CodeMirror syntax highlighting
- * This is used in our marked.js syntax highlighting and CodeMirror itself
- * The string "jupyter" is set in ../codemirror/widget.DEFAULT_CODEMIRROR_THEME
- * This came from the classic notebook, which came form highlight.js/GitHub
- */
-
-/**
- * CodeMirror themes are handling the background/color in this way. This works
- * fine for CodeMirror editors outside the notebook, but the notebook styles
- * these things differently.
- */
-.CodeMirror.cm-s-jupyter {
-  background: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-}
+/* stylelint-enable selector-max-type, selector-max-compound-selectors */
 
-/* In the notebook, we want this styling to be handled by its container */
-.jp-CodeConsole .CodeMirror.cm-s-jupyter,
-.jp-Notebook .CodeMirror.cm-s-jupyter {
-  background: transparent;
+.jp-RenderedHTMLCommon hr {
+  color: var(--jp-border-color2);
+  background-color: var(--jp-border-color1);
+  margin-top: 1em;
+  margin-bottom: 1em;
 }
 
-.cm-s-jupyter .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
-.cm-s-jupyter span.cm-keyword {
-  color: var(--jp-mirror-editor-keyword-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-atom {
-  color: var(--jp-mirror-editor-atom-color);
-}
-.cm-s-jupyter span.cm-number {
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+
+  --jp-private-document-search-button-height: 20px;
 }
 
-.jp-RenderedHTMLCommon h1:last-child,
-.jp-RenderedHTMLCommon h2:last-child,
-.jp-RenderedHTMLCommon h3:last-child,
-.jp-RenderedHTMLCommon h4:last-child,
-.jp-RenderedHTMLCommon h5:last-child,
-.jp-RenderedHTMLCommon h6:last-child {
-  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
+.jp-DocumentSearch-overlay button {
+  background-color: var(--jp-toolbar-background);
+  outline: 0;
 }
 
-.jp-RenderedHTMLCommon h1 {
-  font-size: var(--jp-content-font-size5);
+.jp-DocumentSearch-overlay button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon h2 {
-  font-size: var(--jp-content-font-size4);
+.jp-DocumentSearch-overlay button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon h3 {
-  font-size: var(--jp-content-font-size3);
+.jp-DocumentSearch-overlay-row {
+  display: flex;
+  align-items: center;
+  margin-bottom: 2px;
 }
 
-.jp-RenderedHTMLCommon h4 {
-  font-size: var(--jp-content-font-size2);
+.jp-DocumentSearch-button-content {
+  display: inline-block;
+  cursor: pointer;
+  box-sizing: border-box;
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon h5 {
-  font-size: var(--jp-content-font-size1);
+.jp-DocumentSearch-button-content svg {
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon h6 {
-  font-size: var(--jp-content-font-size0);
+.jp-DocumentSearch-input-wrapper {
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  display: flex;
+  background-color: var(--jp-layout-color0);
+  margin: 2px;
 }
 
-/* Lists */
+.jp-DocumentSearch-input-wrapper:focus-within {
+  border-color: var(--jp-cell-editor-active-border-color);
+}
 
-.jp-RenderedHTMLCommon ul:not(.list-inline),
-.jp-RenderedHTMLCommon ol:not(.list-inline) {
-  padding-left: 2em;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper {
+  all: initial;
+  overflow: hidden;
+  display: inline-block;
+  border: none;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon ul {
-  list-style: disc;
+.jp-DocumentSearch-toggle-wrapper {
+  width: 14px;
+  height: 14px;
 }
 
-.jp-RenderedHTMLCommon ul ul {
-  list-style: square;
+.jp-DocumentSearch-button-wrapper {
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
 }
 
-.jp-RenderedHTMLCommon ul ul ul {
-  list-style: circle;
+.jp-DocumentSearch-toggle-wrapper:focus,
+.jp-DocumentSearch-button-wrapper:focus {
+  outline: var(--jp-border-width) solid
+    var(--jp-cell-editor-active-border-color);
+  outline-offset: -1px;
 }
 
-.jp-RenderedHTMLCommon ol {
-  list-style: decimal;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper,
+.jp-DocumentSearch-button-content:focus {
+  outline: none;
 }
 
-.jp-RenderedHTMLCommon ol ol {
-  list-style: upper-alpha;
+.jp-DocumentSearch-toggle-placeholder {
+  width: 5px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol {
-  list-style: lower-alpha;
+.jp-DocumentSearch-input-button::before {
+  display: block;
+  padding-top: 100%;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol {
-  list-style: lower-roman;
+.jp-DocumentSearch-input-button-off {
+  opacity: var(--jp-search-toggle-off-opacity);
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol ol {
-  list-style: decimal;
+.jp-DocumentSearch-input-button-off:hover {
+  opacity: var(--jp-search-toggle-hover-opacity);
 }
 
-.jp-RenderedHTMLCommon ol,
-.jp-RenderedHTMLCommon ul {
-  margin-bottom: 1em;
+.jp-DocumentSearch-input-button-on {
+  opacity: var(--jp-search-toggle-on-opacity);
 }
 
-.jp-RenderedHTMLCommon ul ul,
-.jp-RenderedHTMLCommon ul ol,
-.jp-RenderedHTMLCommon ol ul,
-.jp-RenderedHTMLCommon ol ol {
-  margin-bottom: 0em;
+.jp-DocumentSearch-index-counter {
+  padding-left: 10px;
+  padding-right: 10px;
+  user-select: none;
+  min-width: 35px;
+  display: inline-block;
 }
 
-.jp-RenderedHTMLCommon hr {
-  color: var(--jp-border-color2);
-  background-color: var(--jp-border-color1);
-  margin-top: 1em;
-  margin-bottom: 1em;
+.jp-DocumentSearch-up-down-wrapper {
+  display: inline-block;
+  padding-right: 2px;
+  margin-left: auto;
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon > pre {
-  margin: 1.5em 2em;
+.jp-DocumentSearch-spacer {
+  margin-left: auto;
 }
 
-.jp-RenderedHTMLCommon pre,
-.jp-RenderedHTMLCommon code {
-  border: 0;
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  line-height: var(--jp-code-line-height);
-  padding: 0;
-  white-space: pre-wrap;
+.jp-DocumentSearch-up-down-wrapper button {
+  outline: 0;
+  border: none;
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
+  vertical-align: middle;
+  margin: 1px 5px 2px;
 }
 
-.jp-RenderedHTMLCommon :not(pre) > code {
+.jp-DocumentSearch-up-down-button:hover {
   background-color: var(--jp-layout-color2);
-  padding: 1px 5px;
 }
 
-/* Tables */
+.jp-DocumentSearch-up-down-button:active {
+  background-color: var(--jp-layout-color3);
+}
 
-.jp-RenderedHTMLCommon table {
-  border-collapse: collapse;
-  border-spacing: 0;
-  border: none;
-  color: var(--jp-ui-font-color1);
-  font-size: 12px;
-  table-layout: fixed;
-  margin-left: auto;
-  margin-right: auto;
+.jp-DocumentSearch-filter-button {
+  border-radius: var(--jp-border-radius);
 }
 
-.jp-RenderedHTMLCommon thead {
-  border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
-  vertical-align: bottom;
+.jp-DocumentSearch-filter-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon td,
-.jp-RenderedHTMLCommon th,
-.jp-RenderedHTMLCommon tr {
-  vertical-align: middle;
-  padding: 0.5em 0.5em;
-  line-height: normal;
-  white-space: normal;
-  max-width: none;
-  border: none;
+.jp-DocumentSearch-filter-button-enabled {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon td,
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon th {
-  max-width: none;
+.jp-DocumentSearch-filter-button-enabled:hover {
+  background-color: var(--jp-layout-color3);
 }
 
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon td,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon th,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon tr {
-  text-align: right;
+.jp-DocumentSearch-search-options {
+  padding: 0 8px;
+  margin-left: 3px;
+  width: 100%;
+  display: grid;
+  justify-content: start;
+  grid-template-columns: 1fr 1fr;
+  align-items: center;
+  justify-items: stretch;
 }
 
-.jp-RenderedHTMLCommon th {
-  font-weight: bold;
+.jp-DocumentSearch-search-filter-disabled {
+  color: var(--jp-ui-font-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(odd) {
-  background: var(--jp-layout-color0);
+.jp-DocumentSearch-search-filter {
+  display: flex;
+  align-items: center;
+  user-select: none;
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(even) {
-  background: var(--jp-rendermime-table-row-background);
+.jp-DocumentSearch-regex-error {
+  color: var(--jp-error-color0);
 }
 
-.jp-RenderedHTMLCommon tbody tr:hover {
-  background: var(--jp-rendermime-table-row-hover-background);
+.jp-DocumentSearch-replace-button-wrapper {
+  overflow: hidden;
+  display: inline-block;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  margin: auto 2px;
+  padding: 1px 4px;
+  height: calc(var(--jp-private-document-search-button-height) + 2px);
 }
 
-.jp-RenderedHTMLCommon table {
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button-wrapper:focus {
+  border: var(--jp-border-width) solid var(--jp-cell-editor-active-border-color);
 }
 
-.jp-RenderedHTMLCommon p {
-  text-align: left;
-  margin: 0px;
-}
+.jp-DocumentSearch-replace-button {
+  display: inline-block;
+  text-align: center;
+  cursor: pointer;
+  box-sizing: border-box;
+  color: var(--jp-ui-font-color1);
 
-.jp-RenderedHTMLCommon p {
-  margin-bottom: 1em;
+  /* height - 2 * (padding of wrapper) */
+  line-height: calc(var(--jp-private-document-search-button-height) - 2px);
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon img {
-  -moz-force-broken-image-icon: 1;
+.jp-DocumentSearch-replace-button:focus {
+  outline: none;
 }
 
-/* Restrict to direct children as other images could be nested in other content. */
-.jp-RenderedHTMLCommon > img {
-  display: block;
-  margin-left: 0;
-  margin-right: 0;
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-wrapper-class {
+  margin-left: 14px;
+  display: flex;
 }
 
-/* Change color behind transparent images if they need it... */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-light-background {
-  background-color: var(--jp-inverse-layout-color1);
-}
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-dark-background {
-  background-color: var(--jp-inverse-layout-color1);
-}
-/* ...or leave it untouched if they don't */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-dark-background {
+.jp-DocumentSearch-replace-toggle {
+  border: none;
+  background-color: var(--jp-toolbar-background);
+  border-radius: var(--jp-border-radius);
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-light-background {
+
+.jp-DocumentSearch-replace-toggle:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon img,
-.jp-RenderedImage img,
-.jp-RenderedHTMLCommon svg,
-.jp-RenderedSVG svg {
-  max-width: 100%;
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.cm-editor {
+  line-height: var(--jp-code-line-height);
+  font-size: var(--jp-code-font-size);
+  font-family: var(--jp-code-font-family);
+  border: 0;
+  border-radius: 0;
   height: auto;
-}
 
-.jp-RenderedHTMLCommon img.jp-mod-unconfined,
-.jp-RenderedImage img.jp-mod-unconfined,
-.jp-RenderedHTMLCommon svg.jp-mod-unconfined,
-.jp-RenderedSVG svg.jp-mod-unconfined {
-  max-width: none;
+  /* Changed to auto to autogrow */
 }
 
-.jp-RenderedHTMLCommon .alert {
-  padding: var(--jp-notebook-padding);
-  border: var(--jp-border-width) solid transparent;
-  border-radius: var(--jp-border-radius);
-  margin-bottom: 1em;
+.cm-editor pre {
+  padding: 0 var(--jp-code-padding);
 }
 
-.jp-RenderedHTMLCommon .alert-info {
-  color: var(--jp-info-color0);
-  background-color: var(--jp-info-color3);
-  border-color: var(--jp-info-color2);
+.jp-CodeMirrorEditor[data-type='inline'] .cm-dialog {
+  background-color: var(--jp-layout-color0);
+  color: var(--jp-content-font-color1);
 }
-.jp-RenderedHTMLCommon .alert-info hr {
-  border-color: var(--jp-info-color3);
+
+.jp-CodeMirrorEditor {
+  cursor: text;
 }
-.jp-RenderedHTMLCommon .alert-info > p:last-child,
-.jp-RenderedHTMLCommon .alert-info > ul:last-child {
-  margin-bottom: 0;
+
+/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
+@media screen and (min-width: 2138px) and (max-width: 4319px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width1) solid
+      var(--jp-editor-cursor-color);
+  }
 }
 
-.jp-RenderedHTMLCommon .alert-warning {
-  color: var(--jp-warn-color0);
-  background-color: var(--jp-warn-color3);
-  border-color: var(--jp-warn-color2);
+/* When zoomed out less than 33% */
+@media screen and (min-width: 4320px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width2) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning hr {
-  border-color: var(--jp-warn-color3);
+
+.cm-editor.jp-mod-readOnly .cm-cursor {
+  display: none;
 }
-.jp-RenderedHTMLCommon .alert-warning > p:last-child,
-.jp-RenderedHTMLCommon .alert-warning > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor {
+  border-left: 5px solid transparent;
+  border-right: 5px solid transparent;
+  border-top: none;
+  border-bottom: 3px solid;
+  background-clip: content-box;
+  margin-left: -5px;
+  margin-right: -5px;
 }
 
-.jp-RenderedHTMLCommon .alert-success {
-  color: var(--jp-success-color0);
-  background-color: var(--jp-success-color3);
-  border-color: var(--jp-success-color2);
+.cm-searching,
+.cm-searching span {
+  /* `.cm-searching span`: we need to override syntax highlighting */
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success hr {
-  border-color: var(--jp-success-color3);
+
+.cm-searching::selection,
+.cm-searching span::selection {
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success > p:last-child,
-.jp-RenderedHTMLCommon .alert-success > ul:last-child {
-  margin-bottom: 0;
+
+.jp-current-match > .cm-searching,
+.jp-current-match > .cm-searching span,
+.cm-searching > .jp-current-match,
+.cm-searching > .jp-current-match span {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
 
-.jp-RenderedHTMLCommon .alert-danger {
-  color: var(--jp-error-color0);
-  background-color: var(--jp-error-color3);
-  border-color: var(--jp-error-color2);
+.jp-current-match > .cm-searching::selection,
+.cm-searching > .jp-current-match::selection,
+.jp-current-match > .cm-searching span::selection {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger hr {
-  border-color: var(--jp-error-color3);
+
+.cm-trailingspace {
+  background-image: url(data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAFCAYAAAB4ka1VAAAAsElEQVQIHQGlAFr/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA7+r3zKmT0/+pk9P/7+r3zAAAAAAAAAAABAAAAAAAAAAA6OPzM+/q9wAAAAAA6OPzMwAAAAAAAAAAAgAAAAAAAAAAGR8NiRQaCgAZIA0AGR8NiQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQyoYJ/SY80UAAAAASUVORK5CYII=);
+  background-position: center left;
+  background-repeat: repeat-x;
 }
-.jp-RenderedHTMLCommon .alert-danger > p:last-child,
-.jp-RenderedHTMLCommon .alert-danger > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor-hover {
+  position: absolute;
+  z-index: 1;
+  transform: translateX(-50%);
+  color: white;
+  border-radius: 3px;
+  padding-left: 4px;
+  padding-right: 4px;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  text-align: center;
+  font-size: var(--jp-ui-font-size1);
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon blockquote {
-  margin: 1em 2em;
-  padding: 0 1em;
-  border-left: 5px solid var(--jp-border-color2);
+.jp-CodeMirror-ruler {
+  border-left: 1px dashed var(--jp-border-color2);
 }
 
-a.jp-InternalAnchorLink {
-  visibility: hidden;
-  margin-left: 8px;
-  color: var(--md-blue-800);
+/* Styles for shared cursors (remote cursor locations and selected ranges) */
+.jp-CodeMirrorEditor .cm-ySelectionCaret {
+  position: relative;
+  border-left: 1px solid black;
+  margin-left: -1px;
+  margin-right: -1px;
+  box-sizing: border-box;
 }
 
-h1:hover .jp-InternalAnchorLink,
-h2:hover .jp-InternalAnchorLink,
-h3:hover .jp-InternalAnchorLink,
-h4:hover .jp-InternalAnchorLink,
-h5:hover .jp-InternalAnchorLink,
-h6:hover .jp-InternalAnchorLink {
-  visibility: visible;
+.jp-CodeMirrorEditor .cm-ySelectionCaret > .cm-ySelectionInfo {
+  white-space: nowrap;
+  position: absolute;
+  top: -1.15em;
+  padding-bottom: 0.05em;
+  left: -1px;
+  font-size: 0.95em;
+  font-family: var(--jp-ui-font-family);
+  font-weight: bold;
+  line-height: normal;
+  user-select: none;
+  color: white;
+  padding-left: 2px;
+  padding-right: 2px;
+  z-index: 101;
+  transition: opacity 0.3s ease-in-out;
 }
 
-.jp-RenderedHTMLCommon kbd {
-  background-color: var(--jp-rendermime-table-row-background);
-  border: 1px solid var(--jp-border-color0);
-  border-bottom-color: var(--jp-border-color2);
-  border-radius: 3px;
-  box-shadow: inset 0 -1px 0 rgba(0, 0, 0, 0.25);
-  display: inline-block;
-  font-size: 0.8em;
-  line-height: 1em;
-  padding: 0.2em 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionInfo {
+  transition-delay: 0.7s;
+  opacity: 0;
 }
 
-/* Most direct children of .jp-RenderedHTMLCommon have a margin-bottom of 1.0.
- * At the bottom of cells this is a bit too much as there is also spacing
- * between cells. Going all the way to 0 gets too tight between markdown and
- * code cells.
- */
-.jp-RenderedHTMLCommon > *:last-child {
-  margin-bottom: 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionCaret:hover > .cm-ySelectionInfo {
+  opacity: 1;
+  transition-delay: 0s;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12474,31 +4978,36 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser {
+.jp-FileBrowser .jp-SidePanel-content {
   display: flex;
   flex-direction: column;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
 }
 
 .jp-FileBrowser-toolbar.jp-Toolbar {
+  flex-wrap: wrap;
+  row-gap: 12px;
   border-bottom: none;
   height: auto;
-  margin: var(--jp-toolbar-header-margin);
+  margin: 8px 12px 0;
   box-shadow: none;
+  padding: 0;
+  justify-content: flex-start;
+}
+
+.jp-FileBrowser-Panel {
+  flex: 1 1 auto;
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-BreadCrumbs {
   flex: 0 0 auto;
-  margin: 8px 12px 8px 12px;
+  margin: 8px 12px;
 }
 
 .jp-BreadCrumbs-item {
-  margin: 0px 2px;
-  padding: 0px 2px;
+  margin: 0 2px;
+  padding: 0 2px;
   border-radius: var(--jp-border-radius);
   cursor: pointer;
 }
@@ -12508,7 +5017,7 @@
 }
 
 .jp-BreadCrumbs-item:first-child {
-  margin-left: 0px;
+  margin-left: 0;
 }
 
 .jp-BreadCrumbs-item.jp-mod-dropTarget {
@@ -12520,45 +5029,24 @@
 | Buttons
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  padding: 0px;
-  margin: 8px 12px 0px 12px;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  justify-content: flex-start;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-Toolbar-item {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item {
   flex: 0 0 auto;
-  padding-left: 0px;
+  padding-left: 0;
   padding-right: 2px;
+  align-items: center;
+  height: unset;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-ToolbarButtonComponent {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item .jp-ToolbarButtonComponent {
   width: 40px;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent {
-  width: 72px;
-  background: var(--jp-brand-color1);
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent
-  .jp-icon3 {
-  fill: white;
-}
-
 /*-----------------------------------------------------------------------------
 | Other styles
 |----------------------------------------------------------------------------*/
 
 .jp-FileDialog.jp-mod-conflict input {
-  color: red;
+  color: var(--jp-error-color1);
 }
 
 .jp-FileDialog .jp-new-name-title {
@@ -12569,10 +5057,12 @@
   display: none;
 }
 
-.jp-FileBrowser-filterBox {
-  padding: 0px;
-  flex: 0 0 auto;
-  margin: 8px 12px 0px 12px;
+.jp-FileSize-hidden {
+  display: none;
+}
+
+.jp-FileBrowser .lm-AccordionPanel > h3:first-child {
+  display: none;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12590,6 +5080,7 @@
   flex: 0 0 auto;
   display: flex;
   flex-direction: row;
+  align-items: center;
   overflow: hidden;
   border-top: var(--jp-border-width) solid var(--jp-border-color2);
   border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
@@ -12598,7 +5089,7 @@
 }
 
 .jp-DirListing-headerItem {
-  padding: 4px 12px 2px 12px;
+  padding: 4px 12px 2px;
   font-weight: 500;
 }
 
@@ -12616,10 +5107,16 @@
   text-align: right;
 }
 
+.jp-DirListing-headerItem.jp-id-filesize {
+  flex: 0 0 75px;
+  border-left: var(--jp-border-width) solid var(--jp-border-color2);
+  text-align: right;
+}
+
 .jp-id-narrow {
   display: none;
   flex: 0 0 5px;
-  padding: 4px 4px;
+  padding: 4px;
   border-left: var(--jp-border-width) solid var(--jp-border-color2);
   text-align: right;
   color: var(--jp-border-color2);
@@ -12654,6 +5151,10 @@
   font-weight: bold;
 }
 
+.jp-DirListing-content .jp-DirListing-item.jp-mod-selected mark {
+  color: var(--jp-ui-inverse-font-color0);
+}
+
 /* Style the directory listing content when a user drops a file to upload */
 .jp-DirListing.jp-mod-native-drop .jp-DirListing-content {
   outline: 5px dashed rgba(128, 128, 128, 0.5);
@@ -12661,14 +5162,49 @@
   cursor: copy;
 }
 
-.jp-DirListing-item {
-  display: flex;
-  flex-direction: row;
-  padding: 4px 12px;
-  -webkit-user-select: none;
-  -moz-user-select: none;
-  -ms-user-select: none;
-  user-select: none;
+.jp-DirListing-item {
+  display: flex;
+  flex-direction: row;
+  align-items: center;
+  padding: 4px 12px;
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
+
+.jp-DirListing-checkboxWrapper {
+  /* Increases hit area of checkbox. */
+  padding: 4px;
+}
+
+.jp-DirListing-header
+  .jp-DirListing-checkboxWrapper
+  + .jp-DirListing-headerItem {
+  padding-left: 4px;
+}
+
+.jp-DirListing-content .jp-DirListing-checkboxWrapper {
+  position: relative;
+  left: -4px;
+  margin: -4px 0 -4px -8px;
+}
+
+.jp-DirListing-checkboxWrapper.jp-mod-visible {
+  visibility: visible;
+}
+
+/* For devices that support hovering, hide checkboxes until hovered, selected...
+*/
+@media (hover: hover) {
+  .jp-DirListing-checkboxWrapper {
+    visibility: hidden;
+  }
+
+  .jp-DirListing-item:hover .jp-DirListing-checkboxWrapper,
+  .jp-DirListing-item.jp-mod-selected .jp-DirListing-checkboxWrapper {
+    visibility: visible;
+  }
 }
 
 .jp-DirListing-item[data-is-dot] {
@@ -12676,7 +5212,7 @@
 }
 
 .jp-DirListing-item.jp-mod-selected {
-  color: white;
+  color: var(--jp-ui-inverse-font-color1);
   background: var(--jp-brand-color1);
 }
 
@@ -12701,25 +5237,48 @@
   user-select: none;
 }
 
+.jp-DirListing-itemText:focus {
+  outline-width: 2px;
+  outline-color: var(--jp-inverse-layout-color1);
+  outline-style: solid;
+  outline-offset: 1px;
+}
+
+.jp-DirListing-item.jp-mod-selected .jp-DirListing-itemText:focus {
+  outline-color: var(--jp-layout-color1);
+}
+
 .jp-DirListing-itemModified {
   flex: 0 0 125px;
   text-align: right;
 }
 
+.jp-DirListing-itemFileSize {
+  flex: 0 0 90px;
+  text-align: right;
+}
+
 .jp-DirListing-editor {
   flex: 1 0 64px;
   outline: none;
   border: none;
+  color: var(--jp-ui-font-color1);
+  background-color: var(--jp-layout-color1);
 }
 
-.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon:before {
-  color: limegreen;
+.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon::before {
+  color: var(--jp-success-color1);
   content: '\25CF';
   font-size: 8px;
   position: absolute;
   left: -8px;
 }
 
+.jp-DirListing-item.jp-mod-running.jp-mod-selected
+  .jp-DirListing-itemIcon::before {
+  color: var(--jp-ui-inverse-font-color1);
+}
+
 .jp-DirListing-item.lm-mod-drag-image,
 .jp-DirListing-item.jp-mod-selected.lm-mod-drag-image {
   font-size: var(--jp-ui-font-size1);
@@ -12728,20 +5287,11 @@
   width: 160px;
   background-color: var(--jp-ui-inverse-font-color2);
   box-shadow: var(--jp-elevation-z2);
-  border-radius: 0px;
+  border-radius: 0;
   color: var(--jp-ui-font-color1);
   transform: translateX(-40%) translateY(-58%);
 }
 
-.jp-DirListing-deadSpace {
-  flex: 1 1 auto;
-  margin: 0;
-  padding: 0;
-  list-style-type: none;
-  overflow: auto;
-  background-color: var(--jp-layout-color1);
-}
-
 .jp-Document {
   min-width: 120px;
   min-height: 120px;
@@ -12753,13 +5303,6 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/*-----------------------------------------------------------------------------
-| Private CSS variables
-|----------------------------------------------------------------------------*/
-
-:root {
-}
-
 /*-----------------------------------------------------------------------------
 | Main OutputArea
 | OutputArea has a list of Outputs
@@ -12770,12 +5313,14 @@
 }
 
 .jp-OutputArea-child {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+  overflow: hidden;
 }
 
 .jp-OutputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-outprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -12784,11 +5329,13 @@
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
   opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12796,7 +5343,14 @@
   user-select: none;
 }
 
+.jp-OutputArea-prompt {
+  display: table-cell;
+  vertical-align: top;
+}
+
 .jp-OutputArea-output {
+  display: table-cell;
+  width: 100%;
   height: auto;
   overflow: auto;
   user-select: text;
@@ -12805,9 +5359,30 @@
   -ms-user-select: text;
 }
 
-.jp-OutputArea-child .jp-OutputArea-output {
-  flex-grow: 1;
-  flex-shrink: 1;
+.jp-OutputArea .jp-RenderedText {
+  padding-left: 1ch;
+}
+
+/**
+ * Prompt overlay.
+ */
+
+.jp-OutputArea-promptOverlay {
+  position: absolute;
+  top: 0;
+  width: var(--jp-cell-prompt-width);
+  height: 100%;
+  opacity: 0.5;
+}
+
+.jp-OutputArea-promptOverlay:hover {
+  background: var(--jp-layout-color2);
+  box-shadow: inset 0 0 1px var(--jp-inverse-layout-color0);
+  cursor: zoom-out;
+}
+
+.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay:hover {
+  cursor: zoom-in;
 }
 
 /**
@@ -12819,7 +5394,7 @@
 }
 
 /*
-When drag events occur, `p-mod-override-cursor` is added to the body.
+When drag events occur, `lm-mod-override-cursor` is added to the body.
 Because iframes steal all cursor events, the following two rules are necessary
 to suppress pointer events while resize drags are occurring. There may be a
 better solution to this problem.
@@ -12828,7 +5403,7 @@
   position: relative;
 }
 
-body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated:before {
+body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated::before {
   content: '';
   position: absolute;
   top: 0;
@@ -12842,8 +5417,8 @@
 
 .jp-OutputArea-output pre {
   border: none;
-  margin: 0px;
-  padding: 0px;
+  margin: 0;
+  padding: 0;
   overflow-x: auto;
   overflow-y: auto;
   word-break: break-all;
@@ -12888,6 +5463,13 @@
   margin: 0;
 }
 
+.jp-TrimmedOutputs pre {
+  background: var(--jp-layout-color3);
+  font-size: calc(var(--jp-code-font-size) * 1.4);
+  text-align: center;
+  text-transform: uppercase;
+}
+
 /* Hide the gutter in case of
  *  - nested output areas (e.g. in the case of output widgets)
  *  - mirrored output areas
@@ -12896,14 +5478,20 @@
   display: none;
 }
 
+/* Hide empty lines in the output area, for instance due to cleared widgets */
+.jp-OutputArea-prompt:empty {
+  padding: 0;
+  border: 0;
+}
+
 /*-----------------------------------------------------------------------------
 | executeResult is added to any Output-result for the display of the object
 | returned by a cell
 |----------------------------------------------------------------------------*/
 
 .jp-OutputArea-output.jp-OutputArea-executeResult {
-  margin-left: 0px;
-  flex: 1 1 auto;
+  margin-left: 0;
+  width: 100%;
 }
 
 /* Text output with the Out[] prompt needs a top padding to match the
@@ -12918,12 +5506,6 @@
 | The Stdin output
 |----------------------------------------------------------------------------*/
 
-.jp-OutputArea-stdin {
-  line-height: var(--jp-code-line-height);
-  padding-top: var(--jp-code-padding);
-  display: flex;
-}
-
 .jp-Stdin-prompt {
   color: var(--jp-content-font-color0);
   padding-right: var(--jp-code-padding);
@@ -12938,18 +5520,28 @@
   background-color: inherit;
   width: 42%;
   min-width: 200px;
+
   /* make sure input baseline aligns with prompt */
   vertical-align: baseline;
+
   /* padding + margin = 0.5em between prompt and cursor */
-  padding: 0em 0.25em;
-  margin: 0em 0.25em;
+  padding: 0 0.25em;
+  margin: 0 0.25em;
   flex: 0 0 70%;
 }
 
+.jp-Stdin-input::placeholder {
+  opacity: 0;
+}
+
 .jp-Stdin-input:focus {
   box-shadow: none;
 }
 
+.jp-Stdin-input:focus::placeholder {
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Output Area View
 |----------------------------------------------------------------------------*/
@@ -12963,6 +5555,160 @@
   height: 100%;
 }
 
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+@media print {
+  .jp-OutputArea-child {
+    break-inside: avoid-page;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-OutputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+
+  .jp-OutputArea-child .jp-OutputArea-output {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+}
+
+/* Trimmed outputs warning */
+.jp-TrimmedOutputs > a {
+  margin: 10px;
+  text-decoration: none;
+  cursor: pointer;
+}
+
+.jp-TrimmedOutputs > a:hover {
+  text-decoration: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Table of Contents
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-toc-active-width: 4px;
+}
+
+.jp-TableOfContents {
+  display: flex;
+  flex-direction: column;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  height: 100%;
+}
+
+.jp-TableOfContents-placeholder {
+  text-align: center;
+}
+
+.jp-TableOfContents-placeholderContent {
+  color: var(--jp-content-font-color2);
+  padding: 8px;
+}
+
+.jp-TableOfContents-placeholderContent > h3 {
+  margin-bottom: var(--jp-content-heading-margin-bottom);
+}
+
+.jp-TableOfContents .jp-SidePanel-content {
+  overflow-y: auto;
+}
+
+.jp-TableOfContents-tree {
+  margin: 4px;
+}
+
+.jp-TableOfContents ol {
+  list-style-type: none;
+}
+
+/* stylelint-disable-next-line selector-max-type */
+.jp-TableOfContents li > ol {
+  /* Align left border with triangle icon center */
+  padding-left: 11px;
+}
+
+.jp-TableOfContents-content {
+  /* left margin for the active heading indicator */
+  margin: 0 0 0 var(--jp-private-toc-active-width);
+  padding: 0;
+  background-color: var(--jp-layout-color1);
+}
+
+.jp-tocItem {
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
+
+.jp-tocItem-heading {
+  display: flex;
+  cursor: pointer;
+}
+
+.jp-tocItem-heading:hover {
+  background-color: var(--jp-layout-color2);
+}
+
+.jp-tocItem-content {
+  display: block;
+  padding: 4px 0;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  overflow-x: hidden;
+}
+
+.jp-tocItem-collapser {
+  height: 20px;
+  margin: 2px 2px 0;
+  padding: 0;
+  background: none;
+  border: none;
+  cursor: pointer;
+}
+
+.jp-tocItem-collapser:hover {
+  background-color: var(--jp-layout-color3);
+}
+
+/* Active heading indicator */
+
+.jp-tocItem-heading::before {
+  content: ' ';
+  background: transparent;
+  width: var(--jp-private-toc-active-width);
+  height: 24px;
+  position: absolute;
+  left: 0;
+  border-radius: var(--jp-border-radius);
+}
+
+.jp-tocItem-heading.jp-tocItem-active::before {
+  background-color: var(--jp-brand-color1);
+}
+
+.jp-tocItem-heading:hover.jp-tocItem-active::before {
+  background: var(--jp-brand-color0);
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -12970,8 +5716,8 @@
 
 .jp-Collapser {
   flex: 0 0 var(--jp-cell-collapser-width);
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -12983,10 +5729,27 @@
   display: block;
   width: 100%;
   box-sizing: border-box;
+
   /* height: 100% doesn't work because the height of its parent is computed from content */
   position: absolute;
-  top: 0px;
-  bottom: 0px;
+  top: 0;
+  bottom: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Hiding collapsers in print mode.
+
+Note: input and output wrappers have "display: block" propery in print mode.
+*/
+
+@media print {
+  .jp-Collapser {
+    display: none;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13001,10 +5764,10 @@
 /* Hidden by zero height by default */
 .jp-CellHeader,
 .jp-CellFooter {
-  height: 0px;
+  height: 0;
   width: 100%;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13021,25 +5784,27 @@
 
 /* All input areas */
 .jp-InputArea {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
   overflow: hidden;
 }
 
 .jp-InputArea-editor {
-  flex: 1 1 auto;
+  display: table-cell;
   overflow: hidden;
-}
+  vertical-align: top;
 
-.jp-InputArea-editor {
   /* This is the non-active, default styling */
   border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
-  border-radius: 0px;
+  border-radius: 0;
   background: var(--jp-cell-editor-background);
 }
 
 .jp-InputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  display: table-cell;
+  vertical-align: top;
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-inprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -13048,12 +5813,13 @@
   line-height: var(--jp-code-line-height);
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
-  opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -13061,6 +5827,21 @@
   user-select: none;
 }
 
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-InputArea-editor {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+
+  .jp-InputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13071,21 +5852,33 @@
 |----------------------------------------------------------------------------*/
 
 .jp-Placeholder {
-  display: flex;
-  flex-direction: row;
-  flex: 1 1 auto;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+}
+
+.jp-Placeholder-prompt {
+  display: table-cell;
+  box-sizing: border-box;
+}
+
+.jp-Placeholder-content {
+  display: table-cell;
+  padding: 4px 6px;
+  border: 1px solid transparent;
+  border-radius: 0;
+  background: none;
+  box-sizing: border-box;
+  cursor: pointer;
 }
 
-.jp-Placeholder-prompt {
-  box-sizing: border-box;
+.jp-Placeholder-contentContainer {
+  display: flex;
 }
 
-.jp-Placeholder-content {
-  flex: 1 1 auto;
-  border: none;
-  background: transparent;
-  height: 20px;
-  box-sizing: border-box;
+.jp-Placeholder-content:hover,
+.jp-InputPlaceholder > .jp-Placeholder-content:hover {
+  border-color: var(--jp-layout-color3);
 }
 
 .jp-Placeholder-content .jp-MoreHorizIcon {
@@ -13097,10 +5890,22 @@
 
 .jp-Placeholder-content .jp-MoreHorizIcon:hover {
   border: 1px solid var(--jp-border-color1);
-  box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.25);
+  box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.25);
   background-color: var(--jp-layout-color0);
 }
 
+.jp-PlaceholderText {
+  white-space: nowrap;
+  overflow-x: hidden;
+  color: var(--jp-inverse-layout-color3);
+  font-family: var(--jp-code-font-family);
+}
+
+.jp-InputPlaceholder > .jp-Placeholder-content {
+  border-color: var(--jp-cell-editor-border-color);
+  background: var(--jp-cell-editor-background);
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13120,7 +5925,7 @@
 
 .jp-Cell {
   padding: var(--jp-cell-padding);
-  margin: 0px;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13134,8 +5939,9 @@
 .jp-Cell-outputWrapper {
   display: flex;
   flex-direction: row;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
+
   /* Added to reveal the box-shadow on the input and output collapsers. */
   overflow: visible;
 }
@@ -13173,17 +5979,41 @@
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
   overflow-y: auto;
-  max-height: 200px;
-  box-shadow: inset 0 0 6px 2px rgba(0, 0, 0, 0.3);
+  max-height: 24em;
   margin-left: var(--jp-private-cell-scrolling-output-offset);
+  resize: vertical;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea[style*='height'] {
+  max-height: unset;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea::after {
+  content: ' ';
+  box-shadow: inset 0 0 6px 2px rgb(0 0 0 / 30%);
+  width: 100%;
+  height: 100%;
+  position: sticky;
+  bottom: 0;
+  top: 0;
+  margin-top: -50%;
+  float: left;
+  display: block;
+  pointer-events: none;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-child {
+  padding-top: 6px;
 }
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
-  flex: 0 0
-    calc(
-      var(--jp-cell-prompt-width) -
-        var(--jp-private-cell-scrolling-output-offset)
-    );
+  width: calc(
+    var(--jp-cell-prompt-width) - var(--jp-private-cell-scrolling-output-offset)
+  );
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay {
+  left: calc(-1 * var(--jp-private-cell-scrolling-output-offset));
 }
 
 /*-----------------------------------------------------------------------------
@@ -13195,7 +6025,8 @@
 |----------------------------------------------------------------------------*/
 
 .jp-MarkdownOutput {
-  flex: 1 1 auto;
+  display: table-cell;
+  width: 100%;
   margin-top: 0;
   margin-bottom: 0;
   padding-left: var(--jp-code-padding);
@@ -13205,6 +6036,115 @@
   overflow: auto;
 }
 
+/* collapseHeadingButton (show always if hiddenCellsButton is _not_ shown) */
+.jp-collapseHeadingButton {
+  display: flex;
+  min-height: var(--jp-cell-collapser-min-height);
+  font-size: var(--jp-code-font-size);
+  position: absolute;
+  background-color: transparent;
+  background-size: 25px;
+  background-repeat: no-repeat;
+  background-position-x: center;
+  background-position-y: top;
+  background-image: var(--jp-icon-caret-down);
+  right: 0;
+  top: 0;
+  bottom: 0;
+}
+
+.jp-collapseHeadingButton.jp-mod-collapsed {
+  background-image: var(--jp-icon-caret-right);
+}
+
+/*
+ set the container font size to match that of content
+ so that the nested collapse buttons have the right size
+*/
+.jp-MarkdownCell .jp-InputPrompt {
+  font-size: var(--jp-content-font-size1);
+}
+
+/*
+  Align collapseHeadingButton with cell top header
+  The font sizes are identical to the ones in packages/rendermime/style/base.css
+*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='1'] {
+  font-size: var(--jp-content-font-size5);
+  background-position-y: calc(0.3 * var(--jp-content-font-size5));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='2'] {
+  font-size: var(--jp-content-font-size4);
+  background-position-y: calc(0.3 * var(--jp-content-font-size4));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='3'] {
+  font-size: var(--jp-content-font-size3);
+  background-position-y: calc(0.3 * var(--jp-content-font-size3));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='4'] {
+  font-size: var(--jp-content-font-size2);
+  background-position-y: calc(0.3 * var(--jp-content-font-size2));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='5'] {
+  font-size: var(--jp-content-font-size1);
+  background-position-y: top;
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='6'] {
+  font-size: var(--jp-content-font-size0);
+  background-position-y: top;
+}
+
+/* collapseHeadingButton (show only on (hover,active) if hiddenCellsButton is shown) */
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-collapseHeadingButton {
+  display: none;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton
+  :is(.jp-MarkdownCell:hover, .jp-mod-active)
+  .jp-collapseHeadingButton {
+  display: flex;
+}
+
+/* showHiddenCellsButton (only show if jp-mod-showHiddenCellsButton is set, which
+is a consequence of the showHiddenCellsButton option in Notebook Settings)*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton {
+  margin-left: calc(var(--jp-cell-prompt-width) + 2 * var(--jp-code-padding));
+  margin-top: var(--jp-code-padding);
+  border: 1px solid var(--jp-border-color2);
+  background-color: var(--jp-border-color3) !important;
+  color: var(--jp-content-font-color0) !important;
+  display: flex;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton:hover {
+  background-color: var(--jp-border-color2) !important;
+}
+
+.jp-showHiddenCellsButton {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Using block instead of flex to allow the use of the break-inside CSS property for
+cell outputs.
+*/
+
+@media print {
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13219,6 +6159,10 @@
 | Variables
 |----------------------------------------------------------------------------*/
 
+:root {
+  --jp-notebook-toolbar-padding: 2px 5px 2px 2px;
+}
+
 /*-----------------------------------------------------------------------------
 
 /*-----------------------------------------------------------------------------
@@ -13226,7 +6170,10 @@
 |----------------------------------------------------------------------------*/
 
 .jp-NotebookPanel-toolbar {
-  padding: 2px;
+  padding: var(--jp-notebook-toolbar-padding);
+
+  /* disable paint containment from lumino 2.0 default strict CSS containment */
+  contain: style size !important;
 }
 
 .jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
@@ -13246,30 +6193,199 @@
   top: 5px !important;
 }
 
+.jp-Toolbar-responsive-popup {
+  position: absolute;
+  height: fit-content;
+  display: flex;
+  flex-direction: row;
+  flex-wrap: wrap;
+  justify-content: flex-end;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: var(--jp-notebook-toolbar-padding);
+  z-index: 1;
+  right: 0;
+  top: 0;
+}
+
+.jp-Toolbar > .jp-Toolbar-responsive-opener {
+  margin-left: auto;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Private CSS variables
+| Variables
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-Notebook-ExecutionIndicator {
+  position: relative;
+  display: inline-block;
+  height: 100%;
+  z-index: 9997;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: hidden;
+  height: auto;
+  width: max-content;
+  width: -moz-max-content;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color1);
+  text-align: justify;
+  border-radius: 6px;
+  padding: 0 5px;
+  position: fixed;
+  display: table;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.up {
+  transform: translateX(-50%) translateY(-100%) translateY(-32px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.down {
+  transform: translateX(calc(-100% + 16px)) translateY(5px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.hidden {
+  display: none;
+}
+
+.jp-Notebook-ExecutionIndicator:hover .jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: visible;
+}
+
+.jp-Notebook-ExecutionIndicator span {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  color: var(--jp-ui-font-color1);
+  line-height: 24px;
+  display: block;
+}
+
+.jp-Notebook-ExecutionIndicator-progress-bar {
+  display: flex;
+  justify-content: center;
+  height: 100%;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+/*
+ * Execution indicator
+ */
+.jp-tocItem-content::after {
+  content: '';
+
+  /* Must be identical to form a circle */
+  width: 12px;
+  height: 12px;
+  background: none;
+  border: none;
+  position: absolute;
+  right: 0;
+}
+
+.jp-tocItem-content[data-running='0']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background: none;
+}
+
+.jp-tocItem-content[data-running='1']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background-color: var(--jp-inverse-layout-color3);
+}
+
+.jp-tocItem-content[data-running='0'],
+.jp-tocItem-content[data-running='1'] {
+  margin-right: 12px;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-Notebook-footer {
+  height: 27px;
+  margin-left: calc(
+    var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+      var(--jp-cell-padding)
+  );
+  width: calc(
+    100% -
+      (
+        var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+          var(--jp-cell-padding) + var(--jp-cell-padding)
+      )
+  );
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  color: var(--jp-ui-font-color3);
+  margin-top: 6px;
+  background: none;
+  cursor: pointer;
+}
+
+.jp-Notebook-footer:focus {
+  border-color: var(--jp-cell-editor-active-border-color);
+}
+
+/* For devices that support hovering, hide footer until hover */
+@media (hover: hover) {
+  .jp-Notebook-footer {
+    opacity: 0;
+  }
+
+  .jp-Notebook-footer:focus,
+  .jp-Notebook-footer:hover {
+    opacity: 1;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Imports
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| CSS variables
 |----------------------------------------------------------------------------*/
 
 :root {
+  --jp-side-by-side-output-size: 1fr;
+  --jp-side-by-side-resized-cell: var(--jp-side-by-side-output-size);
   --jp-private-notebook-dragImage-width: 304px;
   --jp-private-notebook-dragImage-height: 36px;
   --jp-private-notebook-selected-color: var(--md-blue-400);
   --jp-private-notebook-active-color: var(--md-green-400);
 }
 
-/*-----------------------------------------------------------------------------
-| Imports
-|----------------------------------------------------------------------------*/
-
 /*-----------------------------------------------------------------------------
 | Notebook
 |----------------------------------------------------------------------------*/
 
+/* stylelint-disable selector-max-class */
+
 .jp-NotebookPanel {
   display: block;
   height: 100%;
@@ -13293,6 +6409,10 @@
   min-height: var(--jp-notebook-scroll-padding);
 }
 
+.jp-MainAreaWidget-ContainStrict .jp-Notebook * {
+  contain: strict;
+}
+
 .jp-Notebook .jp-Cell {
   overflow: visible;
 }
@@ -13334,6 +6454,20 @@
   background: var(--jp-brand-color1);
 }
 
+/* cell is dirty */
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt {
+  color: var(--jp-warn-color1);
+}
+
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt::before {
+  color: var(--jp-warn-color1);
+  content: '•';
+}
+
+.jp-Notebook .jp-Cell.jp-mod-active.jp-mod-dirty .jp-Collapser {
+  background: var(--jp-warn-color1);
+}
+
 /* collapser is hovered */
 .jp-Notebook .jp-Cell .jp-Collapser:hover {
   box-shadow: var(--jp-elevation-z2);
@@ -13383,7 +6517,7 @@
 }
 
 .jp-dragImage {
-  display: flex;
+  display: block;
   flex-direction: row;
   width: var(--jp-private-notebook-dragImage-width);
   height: var(--jp-private-notebook-dragImage-height);
@@ -13393,7 +6527,7 @@
 }
 
 .jp-dragImage-singlePrompt {
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 .jp-dragImage .jp-dragImage-content {
@@ -13407,7 +6541,7 @@
   background: var(--jp-cell-editor-background-color);
   color: var(--jp-content-font-color3);
   text-align: left;
-  margin: 4px 4px 4px 0px;
+  margin: 4px 4px 4px 0;
 }
 
 .jp-dragImage .jp-dragImage-prompt {
@@ -13432,7 +6566,7 @@
   left: 8px;
   background: var(--jp-layout-color2);
   border: var(--jp-border-width) solid var(--jp-input-border-color);
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 /*-----------------------------------------------------------------------------
@@ -13444,40 +6578,42 @@
   min-width: var(--jp-sidebar-min-width);
   color: var(--jp-ui-font-color1);
   background: var(--jp-layout-color1);
+
   /* This is needed so that all font sizing of children done in ems is
     * relative to this base size */
   font-size: var(--jp-ui-font-size1);
   overflow: auto;
 }
 
-.jp-NotebookTools-tool {
-  padding: 0px 12px 0 12px;
-}
-
 .jp-ActiveCellTool {
-  padding: 12px;
-  background-color: var(--jp-layout-color1);
-  border-top: none !important;
+  padding: 12px 0;
+  display: flex;
 }
 
-.jp-ActiveCellTool .jp-InputArea-prompt {
-  flex: 0 0 auto;
-  padding-left: 0px;
+.jp-ActiveCellTool-Content {
+  flex: 1 1 auto;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor {
-  flex: 1 1 auto;
+.jp-ActiveCellTool .jp-ActiveCellTool-CellContent {
   background: var(--jp-cell-editor-background);
-  border-color: var(--jp-cell-editor-border-color);
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  border-radius: 0;
+  min-height: 29px;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor .CodeMirror {
-  background: transparent;
+.jp-ActiveCellTool .jp-InputPrompt {
+  min-width: calc(var(--jp-cell-prompt-width) * 0.75);
+}
+
+.jp-ActiveCellTool-CellContent > pre {
+  padding: 5px 4px;
+  margin: 0;
+  white-space: normal;
 }
 
 .jp-MetadataEditorTool {
   flex-direction: column;
-  padding: 12px 0px 12px 0px;
+  padding: 12px 0;
 }
 
 .jp-RankedPanel > :not(:first-child) {
@@ -13491,13 +6627,19 @@
 }
 
 .jp-KeySelector label,
-.jp-MetadataEditorTool label {
+.jp-MetadataEditorTool label,
+.jp-NumberSetter label {
   line-height: 1.4;
 }
 
 .jp-NotebookTools .jp-select-wrapper {
   margin-top: 4px;
-  margin-bottom: 0px;
+  margin-bottom: 0;
+}
+
+.jp-NumberSetter input {
+  width: 100%;
+  margin-top: 4px;
 }
 
 .jp-NotebookTools .jp-Collapse {
@@ -13518,9 +6660,162 @@
   flex: 0 0 110px;
 }
 
-</style>
+/*-----------------------------------------------------------------------------
+| Side-by-side Mode (.jp-mod-sideBySide)
+|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-Notebook-cell {
+  margin-top: 3em;
+  margin-bottom: 3em;
+  margin-left: 5%;
+  margin-right: 5%;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell {
+  display: grid;
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-output-size)
+    );
+  grid-template-rows: auto minmax(0, 1fr) auto;
+  grid-template-areas:
+    'header header header'
+    'input handle output'
+    'footer footer footer';
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell.jp-mod-resizedCell {
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-resized-cell)
+    );
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellHeader {
+  grid-area: header;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-inputWrapper {
+  grid-area: input;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-outputWrapper {
+  /* overwrite the default margin (no vertical separation needed in side by side move */
+  margin-top: 0;
+  grid-area: output;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellFooter {
+  grid-area: footer;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle {
+  grid-area: handle;
+  user-select: none;
+  display: block;
+  height: 100%;
+  cursor: ew-resize;
+  padding: 0 var(--jp-cell-padding);
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle::after {
+  content: '';
+  display: block;
+  background: var(--jp-border-color2);
+  height: 100%;
+  width: 5px;
+}
+
+.jp-mod-sideBySide.jp-Notebook
+  .jp-CodeCell.jp-mod-resizedCell
+  .jp-CellResizeHandle::after {
+  background: var(--jp-border-color0);
+}
+
+.jp-CellResizeHandle {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Placeholder
+|----------------------------------------------------------------------------*/
+
+.jp-Cell-Placeholder {
+  padding-left: 55px;
+}
+
+.jp-Cell-Placeholder-wrapper {
+  background: #fff;
+  border: 1px solid;
+  border-color: #e5e6e9 #dfe0e4 #d0d1d5;
+  border-radius: 4px;
+  -webkit-border-radius: 4px;
+  margin: 10px 15px;
+}
+
+.jp-Cell-Placeholder-wrapper-inner {
+  padding: 15px;
+  position: relative;
+}
+
+.jp-Cell-Placeholder-wrapper-body {
+  background-repeat: repeat;
+  background-size: 50% auto;
+}
+
+.jp-Cell-Placeholder-wrapper-body div {
+  background: #f6f7f8;
+  background-image: -webkit-linear-gradient(
+    left,
+    #f6f7f8 0%,
+    #edeef1 20%,
+    #f6f7f8 40%,
+    #f6f7f8 100%
+  );
+  background-repeat: no-repeat;
+  background-size: 800px 104px;
+  height: 104px;
+  position: absolute;
+  right: 15px;
+  left: 15px;
+  top: 15px;
+}
+
+div.jp-Cell-Placeholder-h1 {
+  top: 20px;
+  height: 20px;
+  left: 15px;
+  width: 150px;
+}
+
+div.jp-Cell-Placeholder-h2 {
+  left: 15px;
+  top: 50px;
+  height: 10px;
+  width: 100px;
+}
+
+div.jp-Cell-Placeholder-content-1,
+div.jp-Cell-Placeholder-content-2,
+div.jp-Cell-Placeholder-content-3 {
+  left: 15px;
+  right: 15px;
+  height: 10px;
+}
+
+div.jp-Cell-Placeholder-content-1 {
+  top: 100px;
+}
+
+div.jp-Cell-Placeholder-content-2 {
+  top: 120px;
+}
+
+div.jp-Cell-Placeholder-content-3 {
+  top: 140px;
+}
 
-    <style type="text/css">
+</style>
+<style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13576,33 +6871,33 @@
     0.12
   );
   --jp-elevation-z0: none;
-  --jp-elevation-z1: 0px 2px 1px -1px var(--jp-shadow-umbra-color),
-    0px 1px 1px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 3px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z2: 0px 3px 1px -2px var(--jp-shadow-umbra-color),
-    0px 2px 2px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 5px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z4: 0px 2px 4px -1px var(--jp-shadow-umbra-color),
-    0px 4px 5px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 10px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z6: 0px 3px 5px -1px var(--jp-shadow-umbra-color),
-    0px 6px 10px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 18px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z8: 0px 5px 5px -3px var(--jp-shadow-umbra-color),
-    0px 8px 10px 1px var(--jp-shadow-penumbra-color),
-    0px 3px 14px 2px var(--jp-shadow-ambient-color);
-  --jp-elevation-z12: 0px 7px 8px -4px var(--jp-shadow-umbra-color),
-    0px 12px 17px 2px var(--jp-shadow-penumbra-color),
-    0px 5px 22px 4px var(--jp-shadow-ambient-color);
-  --jp-elevation-z16: 0px 8px 10px -5px var(--jp-shadow-umbra-color),
-    0px 16px 24px 2px var(--jp-shadow-penumbra-color),
-    0px 6px 30px 5px var(--jp-shadow-ambient-color);
-  --jp-elevation-z20: 0px 10px 13px -6px var(--jp-shadow-umbra-color),
-    0px 20px 31px 3px var(--jp-shadow-penumbra-color),
-    0px 8px 38px 7px var(--jp-shadow-ambient-color);
-  --jp-elevation-z24: 0px 11px 15px -7px var(--jp-shadow-umbra-color),
-    0px 24px 38px 3px var(--jp-shadow-penumbra-color),
-    0px 9px 46px 8px var(--jp-shadow-ambient-color);
+  --jp-elevation-z1: 0 2px 1px -1px var(--jp-shadow-umbra-color),
+    0 1px 1px 0 var(--jp-shadow-penumbra-color),
+    0 1px 3px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z2: 0 3px 1px -2px var(--jp-shadow-umbra-color),
+    0 2px 2px 0 var(--jp-shadow-penumbra-color),
+    0 1px 5px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z4: 0 2px 4px -1px var(--jp-shadow-umbra-color),
+    0 4px 5px 0 var(--jp-shadow-penumbra-color),
+    0 1px 10px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z6: 0 3px 5px -1px var(--jp-shadow-umbra-color),
+    0 6px 10px 0 var(--jp-shadow-penumbra-color),
+    0 1px 18px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z8: 0 5px 5px -3px var(--jp-shadow-umbra-color),
+    0 8px 10px 1px var(--jp-shadow-penumbra-color),
+    0 3px 14px 2px var(--jp-shadow-ambient-color);
+  --jp-elevation-z12: 0 7px 8px -4px var(--jp-shadow-umbra-color),
+    0 12px 17px 2px var(--jp-shadow-penumbra-color),
+    0 5px 22px 4px var(--jp-shadow-ambient-color);
+  --jp-elevation-z16: 0 8px 10px -5px var(--jp-shadow-umbra-color),
+    0 16px 24px 2px var(--jp-shadow-penumbra-color),
+    0 6px 30px 5px var(--jp-shadow-ambient-color);
+  --jp-elevation-z20: 0 10px 13px -6px var(--jp-shadow-umbra-color),
+    0 20px 31px 3px var(--jp-shadow-penumbra-color),
+    0 8px 38px 7px var(--jp-shadow-ambient-color);
+  --jp-elevation-z24: 0 11px 15px -7px var(--jp-shadow-umbra-color),
+    0 24px 38px 3px var(--jp-shadow-penumbra-color),
+    0 9px 46px 8px var(--jp-shadow-ambient-color);
 
   /* Borders
    *
@@ -13614,6 +6909,7 @@
   --jp-border-color1: var(--md-grey-400);
   --jp-border-color2: var(--md-grey-300);
   --jp-border-color3: var(--md-grey-200);
+  --jp-inverse-border-color: var(--md-grey-600);
   --jp-border-radius: 2px;
 
   /* UI Fonts
@@ -13631,9 +6927,9 @@
   --jp-ui-font-size1: 13px; /* Base font size */
   --jp-ui-font-size2: 1.2em;
   --jp-ui-font-size3: 1.44em;
-
-  --jp-ui-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', Helvetica,
-    Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji', 'Segoe UI Symbol';
+  --jp-ui-font-family: system-ui, -apple-system, blinkmacsystemfont, 'Segoe UI',
+    helvetica, arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
+    'Segoe UI Symbol';
 
   /*
    * Use these font colors against the corresponding main layout colors.
@@ -13676,7 +6972,6 @@
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
   --jp-content-presentation-font-size1: 17px;
-
   --jp-content-heading-line-height: 1;
   --jp-content-heading-margin-top: 1.2em;
   --jp-content-heading-margin-bottom: 0.8em;
@@ -13687,12 +6982,10 @@
   --jp-content-font-color1: rgba(0, 0, 0, 0.87);
   --jp-content-font-color2: rgba(0, 0, 0, 0.54);
   --jp-content-font-color3: rgba(0, 0, 0, 0.38);
-
-  --jp-content-link-color: var(--md-blue-700);
-
-  --jp-content-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI',
-    Helvetica, Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
-    'Segoe UI Symbol';
+  --jp-content-link-color: var(--md-blue-900);
+  --jp-content-font-family: system-ui, -apple-system, blinkmacsystemfont,
+    'Segoe UI', helvetica, arial, sans-serif, 'Apple Color Emoji',
+    'Segoe UI Emoji', 'Segoe UI Symbol';
 
   /*
    * Code Fonts
@@ -13703,7 +6996,7 @@
   --jp-code-font-size: 13px;
   --jp-code-line-height: 1.3077; /* 17px for 13px base */
   --jp-code-padding: 5px; /* 5px for 13px base, codemirror highlighting needs integer px value */
-  --jp-code-font-family-default: Menlo, Consolas, 'DejaVu Sans Mono', monospace;
+  --jp-code-font-family-default: menlo, consolas, 'DejaVu Sans Mono', monospace;
   --jp-code-font-family: var(--jp-code-font-family-default);
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
@@ -13732,7 +7025,7 @@
    * theme these would go from dark to light.
    */
 
-  --jp-inverse-layout-color0: #111111;
+  --jp-inverse-layout-color0: #111;
   --jp-inverse-layout-color1: var(--md-grey-900);
   --jp-inverse-layout-color2: var(--md-grey-800);
   --jp-inverse-layout-color3: var(--md-grey-700);
@@ -13740,62 +7033,57 @@
 
   /* Brand/accent */
 
-  --jp-brand-color0: var(--md-blue-700);
-  --jp-brand-color1: var(--md-blue-500);
+  --jp-brand-color0: var(--md-blue-900);
+  --jp-brand-color1: var(--md-blue-700);
   --jp-brand-color2: var(--md-blue-300);
   --jp-brand-color3: var(--md-blue-100);
   --jp-brand-color4: var(--md-blue-50);
-
-  --jp-accent-color0: var(--md-green-700);
-  --jp-accent-color1: var(--md-green-500);
+  --jp-accent-color0: var(--md-green-900);
+  --jp-accent-color1: var(--md-green-700);
   --jp-accent-color2: var(--md-green-300);
   --jp-accent-color3: var(--md-green-100);
 
   /* State colors (warn, error, success, info) */
 
-  --jp-warn-color0: var(--md-orange-700);
-  --jp-warn-color1: var(--md-orange-500);
+  --jp-warn-color0: var(--md-orange-900);
+  --jp-warn-color1: var(--md-orange-700);
   --jp-warn-color2: var(--md-orange-300);
   --jp-warn-color3: var(--md-orange-100);
-
-  --jp-error-color0: var(--md-red-700);
-  --jp-error-color1: var(--md-red-500);
+  --jp-error-color0: var(--md-red-900);
+  --jp-error-color1: var(--md-red-700);
   --jp-error-color2: var(--md-red-300);
   --jp-error-color3: var(--md-red-100);
-
-  --jp-success-color0: var(--md-green-700);
-  --jp-success-color1: var(--md-green-500);
+  --jp-success-color0: var(--md-green-900);
+  --jp-success-color1: var(--md-green-700);
   --jp-success-color2: var(--md-green-300);
   --jp-success-color3: var(--md-green-100);
-
-  --jp-info-color0: var(--md-cyan-700);
-  --jp-info-color1: var(--md-cyan-500);
+  --jp-info-color0: var(--md-cyan-900);
+  --jp-info-color1: var(--md-cyan-700);
   --jp-info-color2: var(--md-cyan-300);
   --jp-info-color3: var(--md-cyan-100);
 
   /* Cell specific styles */
 
   --jp-cell-padding: 5px;
-
   --jp-cell-collapser-width: 8px;
   --jp-cell-collapser-min-height: 20px;
   --jp-cell-collapser-not-active-hover-opacity: 0.6;
-
   --jp-cell-editor-background: var(--md-grey-100);
   --jp-cell-editor-border-color: var(--md-grey-300);
   --jp-cell-editor-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-cell-editor-active-background: var(--jp-layout-color0);
   --jp-cell-editor-active-border-color: var(--jp-brand-color1);
-
   --jp-cell-prompt-width: 64px;
   --jp-cell-prompt-font-family: var(--jp-code-font-family-default);
-  --jp-cell-prompt-letter-spacing: 0px;
+  --jp-cell-prompt-letter-spacing: 0;
   --jp-cell-prompt-opacity: 1;
   --jp-cell-prompt-not-active-opacity: 0.5;
   --jp-cell-prompt-not-active-font-color: var(--md-grey-700);
+
   /* A custom blend of MD grey and blue 600
    * See https://meyerweb.com/eric/tools/color-blend/#546E7A:1E88E5:5:hex */
   --jp-cell-inprompt-font-color: #307fc1;
+
   /* A custom blend of MD grey and orange 600
    * https://meyerweb.com/eric/tools/color-blend/#546E7A:F4511E:5:hex */
   --jp-cell-outprompt-font-color: #bf5b3d;
@@ -13836,17 +7124,21 @@
   --jp-toolbar-border-color: var(--jp-border-color1);
   --jp-toolbar-micro-height: 8px;
   --jp-toolbar-background: var(--jp-layout-color1);
-  --jp-toolbar-box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.24);
-  --jp-toolbar-header-margin: 4px 4px 0px 4px;
+  --jp-toolbar-box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.24);
+  --jp-toolbar-header-margin: 4px 4px 0 4px;
   --jp-toolbar-active-background: var(--md-grey-300);
 
+  /* Statusbar specific styles */
+
+  --jp-statusbar-height: 24px;
+
   /* Input field styles */
 
   --jp-input-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-input-active-background: var(--jp-layout-color1);
   --jp-input-hover-background: var(--jp-layout-color1);
   --jp-input-background: var(--md-grey-100);
-  --jp-input-border-color: var(--jp-border-color1);
+  --jp-input-border-color: var(--jp-inverse-border-color);
   --jp-input-active-border-color: var(--jp-brand-color1);
   --jp-input-active-box-shadow-color: rgba(19, 124, 189, 0.3);
 
@@ -13863,15 +7155,15 @@
   --jp-mirror-editor-number-color: #080;
   --jp-mirror-editor-def-color: #00f;
   --jp-mirror-editor-variable-color: var(--md-grey-900);
-  --jp-mirror-editor-variable-2-color: #05a;
+  --jp-mirror-editor-variable-2-color: rgb(0, 54, 109);
   --jp-mirror-editor-variable-3-color: #085;
   --jp-mirror-editor-punctuation-color: #05a;
   --jp-mirror-editor-property-color: #05a;
-  --jp-mirror-editor-operator-color: #aa22ff;
+  --jp-mirror-editor-operator-color: #a2f;
   --jp-mirror-editor-comment-color: #408080;
   --jp-mirror-editor-string-color: #ba2121;
   --jp-mirror-editor-string-2-color: #708;
-  --jp-mirror-editor-meta-color: #aa22ff;
+  --jp-mirror-editor-meta-color: #a2f;
   --jp-mirror-editor-qualifier-color: #555;
   --jp-mirror-editor-builtin-color: #008000;
   --jp-mirror-editor-bracket-color: #997;
@@ -13883,6 +7175,20 @@
   --jp-mirror-editor-error-color: #f00;
   --jp-mirror-editor-hr-color: #999;
 
+  /*
+    RTC user specific colors.
+    These colors are used for the cursor, username in the editor,
+    and the icon of the user.
+  */
+
+  --jp-collaborator-color1: #ffad8e;
+  --jp-collaborator-color2: #dac83d;
+  --jp-collaborator-color3: #72dd76;
+  --jp-collaborator-color4: #00e4d0;
+  --jp-collaborator-color5: #45d4ff;
+  --jp-collaborator-color6: #e2b1ff;
+  --jp-collaborator-color7: #ff9de6;
+
   /* Vega extension styles */
 
   --jp-vega-background: white;
@@ -13908,37 +7214,94 @@
   --jp-icon-contrast-color1: var(--md-green-600);
   --jp-icon-contrast-color2: var(--md-pink-600);
   --jp-icon-contrast-color3: var(--md-blue-600);
+
+  /* Button colors */
+  --jp-accept-color-normal: var(--md-blue-700);
+  --jp-accept-color-hover: var(--md-blue-800);
+  --jp-accept-color-active: var(--md-blue-900);
+  --jp-warn-color-normal: var(--md-red-700);
+  --jp-warn-color-hover: var(--md-red-800);
+  --jp-warn-color-active: var(--md-red-900);
+  --jp-reject-color-normal: var(--md-grey-600);
+  --jp-reject-color-hover: var(--md-grey-700);
+  --jp-reject-color-active: var(--md-grey-800);
+
+  /* File or activity icons and switch semantic variables */
+  --jp-jupyter-icon-color: #f37626;
+  --jp-notebook-icon-color: #f37626;
+  --jp-json-icon-color: var(--md-orange-700);
+  --jp-console-icon-background-color: var(--md-blue-700);
+  --jp-console-icon-color: white;
+  --jp-terminal-icon-background-color: var(--md-grey-800);
+  --jp-terminal-icon-color: var(--md-grey-200);
+  --jp-text-editor-icon-color: var(--md-grey-700);
+  --jp-inspector-icon-color: var(--md-grey-700);
+  --jp-switch-color: var(--md-grey-400);
+  --jp-switch-true-position-color: var(--md-orange-900);
 }
 </style>
-
 <style type="text/css">
-a.anchor-link {
-   display: none;
+/* Force rendering true colors when outputing to pdf */
+* {
+  -webkit-print-color-adjust: exact;
 }
-.highlight  {
-    margin: 0.4em;
+
+/* Misc */
+a.anchor-link {
+  display: none;
 }
 
 /* Input area styling */
 .jp-InputArea {
-    overflow: hidden;
+  overflow: hidden;
 }
 
 .jp-InputArea-editor {
-    overflow: hidden;
+  overflow: hidden;
+}
+
+.cm-editor.cm-s-jupyter .highlight pre {
+/* weird, but --jp-code-padding defined to be 5px but 4px horizontal padding is hardcoded for pre.cm-line */
+  padding: var(--jp-code-padding) 4px;
+  margin: 0;
+
+  font-family: inherit;
+  font-size: inherit;
+  line-height: inherit;
+  color: inherit;
+
+}
+
+.jp-OutputArea-output pre {
+  line-height: inherit;
+  font-family: inherit;
+}
+
+.jp-RenderedText pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+}
+
+/* Hiding the collapser by default */
+.jp-Collapser {
+  display: none;
+}
+
+@page {
+    margin: 0.5in; /* Margin for each printed piece of paper */
 }
 
 @media print {
-  body {
-    margin: 0;
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
   }
 }
 </style>
-
 <!-- Load mathjax -->
-    <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-MML-AM_CHTML-full,Safe"> </script>
-    <!-- MathJax configuration -->
-    <script type="text/x-mathjax-config">
+<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"> </script>
+<!-- MathJax configuration -->
+<script type="text/x-mathjax-config">
     init_mathjax = function() {
         if (window.MathJax) {
         // MathJax loaded
@@ -13956,171 +7319,629 @@
                     processEnvironments: true
                 },
                 displayAlign: 'center',
+                messageStyle: 'none',
                 CommonHTML: {
-                    linebreaks: { 
-                    automatic: true 
-                    }
-                },
-                "HTML-CSS": {
-                    linebreaks: { 
-                    automatic: true 
+                    linebreaks: {
+                    automatic: true
                     }
                 }
             });
-        
+
             MathJax.Hub.Queue(["Typeset", MathJax.Hub]);
         }
     }
     init_mathjax();
     </script>
-    <!-- End of mathjax configuration --></head>
+<!-- End of mathjax configuration --><script type="module">
+  document.addEventListener("DOMContentLoaded", async () => {
+    const diagrams = document.querySelectorAll(".jp-Mermaid > pre.mermaid");
+    // do not load mermaidjs if not needed
+    if (!diagrams.length) {
+      return;
+    }
+    const mermaid = (await import("https://cdnjs.cloudflare.com/ajax/libs/mermaid/11.10.0/mermaid.esm.min.mjs")).default;
+    const elkUrl = "https://cdnjs.cloudflare.com/ajax/libs/mermaid-layout-elk/0.1.9/mermaid-layout-elk.esm.min.mjs";
+    if(elkUrl) {
+      const elkLayouts = (await import(elkUrl)).default;
+      mermaid.registerLayoutLoaders(elkLayouts);
+    }
+    const parser = new DOMParser();
+
+    mermaid.initialize({
+      maxTextSize: 100000,
+      maxEdges: 100000,
+      startOnLoad: false,
+      fontFamily: window
+        .getComputedStyle(document.body)
+        .getPropertyValue("--jp-ui-font-family"),
+      theme: document.querySelector("body[data-jp-theme-light='true']")
+        ? "default"
+        : "dark",
+    });
+
+    let _nextMermaidId = 0;
+
+    function makeMermaidImage(svg) {
+      const img = document.createElement("img");
+      const doc = parser.parseFromString(svg, "image/svg+xml");
+      const svgEl = doc.querySelector("svg");
+      const { maxWidth } = svgEl?.style || {};
+      const firstTitle = doc.querySelector("title");
+      const firstDesc = doc.querySelector("desc");
+
+      img.setAttribute("src", `data:image/svg+xml,${encodeURIComponent(svg)}`);
+      if (maxWidth) {
+        img.width = parseInt(maxWidth);
+      }
+      if (firstTitle) {
+        img.setAttribute("alt", firstTitle.textContent);
+      }
+      if (firstDesc) {
+        const caption = document.createElement("figcaption");
+        caption.className = "sr-only";
+        caption.textContent = firstDesc.textContent;
+        return [img, caption];
+      }
+      return [img];
+    }
+
+    async function makeMermaidError(text) {
+      let errorMessage = "";
+      try {
+        await mermaid.parse(text);
+      } catch (err) {
+        errorMessage = `${err}`;
+      }
+
+      const result = document.createElement("details");
+      result.className = 'jp-RenderedMermaid-Details';
+      const summary = document.createElement("summary");
+      summary.className = 'jp-RenderedMermaid-Summary';
+      const pre = document.createElement("pre");
+      const code = document.createElement("code");
+      code.innerText = text;
+      pre.appendChild(code);
+      summary.appendChild(pre);
+      result.appendChild(summary);
+
+      const warning = document.createElement("pre");
+      warning.innerText = errorMessage;
+      result.appendChild(warning);
+      return [result];
+    }
+
+    async function renderOneMarmaid(src) {
+      const id = `jp-mermaid-${_nextMermaidId++}`;
+      const parent = src.parentNode;
+      let raw = src.textContent.trim();
+      const el = document.createElement("div");
+      el.style.visibility = "hidden";
+      document.body.appendChild(el);
+      let results = null;
+      let output = null;
+      try {
+        let { svg } = await mermaid.render(id, raw, el);
+        svg = cleanMermaidSvg(svg);
+        results = makeMermaidImage(svg);
+        output = document.createElement("figure");
+        results.map(output.appendChild, output);
+      } catch (err) {
+        parent.classList.add("jp-mod-warning");
+        results = await makeMermaidError(raw);
+        output = results[0];
+      } finally {
+        el.remove();
+      }
+      parent.classList.add("jp-RenderedMermaid");
+      parent.appendChild(output);
+    }
+
+
+    /**
+     * Post-process to ensure mermaid diagrams contain only valid SVG and XHTML.
+     */
+    function cleanMermaidSvg(svg) {
+      svg = svg.replace(RE_VOID_ELEMENT, replaceVoidElement);
+      return `${SVG_XML_HEADER}${svg}`;
+    }
+
+
+    /**
+     * A regular expression for all void elements, which may include attributes and
+     * a slash.
+     *
+     * @see https://developer.mozilla.org/en-US/docs/Glossary/Void_element
+     *
+     * Of these, only `<br>` is generated by Mermaid in place of `\n`,
+     * but _any_ "malformed" tag will break the SVG rendering entirely.
+     */
+    const RE_VOID_ELEMENT =
+      /<\s*(area|base|br|col|embed|hr|img|input|link|meta|param|source|track|wbr)\s*([^>]*?)\s*>/gi;
+
+    /**
+     * Ensure a void element is closed with a slash, preserving any attributes.
+     */
+    function replaceVoidElement(match, tag, rest) {
+      rest = rest.trim();
+      if (!rest.endsWith('/')) {
+        rest = `${rest} /`;
+      }
+      return `<${tag} ${rest}>`;
+    }
+
+
+  /**
+   * Named HTML entities with their decimal equivalent codes.
+   *
+   * @see https://www.w3.org/TR/WD-html40-970708/sgml/entities.html
+   * */
+  const HTML_ENTITIES = `<!ENTITY Aacute "&#193;">
+<!ENTITY aacute "&#225;">
+<!ENTITY Acirc "&#194;">
+<!ENTITY acirc "&#226;">
+<!ENTITY acute "&#180;">
+<!ENTITY AElig "&#198;">
+<!ENTITY aelig "&#230;">
+<!ENTITY Agrave "&#192;">
+<!ENTITY agrave "&#224;">
+<!ENTITY alefsym "&#8501;">
+<!ENTITY Alpha "&#913;">
+<!ENTITY alpha "&#945;">
+<!ENTITY amp "&#38;">
+<!ENTITY and "&#8869;">
+<!ENTITY ang "&#8736;">
+<!ENTITY Aring "&#197;">
+<!ENTITY aring "&#229;">
+<!ENTITY asymp "&#8776;">
+<!ENTITY Atilde "&#195;">
+<!ENTITY atilde "&#227;">
+<!ENTITY Auml "&#196;">
+<!ENTITY auml "&#228;">
+<!ENTITY bdquo "&#8222;">
+<!ENTITY Beta "&#914;">
+<!ENTITY beta "&#946;">
+<!ENTITY brvbar "&#166;">
+<!ENTITY bull "&#8226;">
+<!ENTITY cap "&#8745;">
+<!ENTITY Ccedil "&#199;">
+<!ENTITY ccedil "&#231;">
+<!ENTITY cedil "&#184;">
+<!ENTITY cent "&#162;">
+<!ENTITY Chi "&#935;">
+<!ENTITY chi "&#967;">
+<!ENTITY circ "&#710;">
+<!ENTITY clubs "&#9827;">
+<!ENTITY cong "&#8773;">
+<!ENTITY copy "&#169;">
+<!ENTITY crarr "&#8629;">
+<!ENTITY cup "&#8746;">
+<!ENTITY curren "&#164;">
+<!ENTITY dagger "&#8224;">
+<!ENTITY Dagger "&#8225;">
+<!ENTITY darr "&#8595;">
+<!ENTITY dArr "&#8659;">
+<!ENTITY deg "&#176;">
+<!ENTITY Delta "&#916;">
+<!ENTITY delta "&#948;">
+<!ENTITY diams "&#9830;">
+<!ENTITY divide "&#247;">
+<!ENTITY Eacute "&#201;">
+<!ENTITY eacute "&#233;">
+<!ENTITY Ecirc "&#202;">
+<!ENTITY ecirc "&#234;">
+<!ENTITY Egrave "&#200;">
+<!ENTITY egrave "&#232;">
+<!ENTITY empty "&#8709;">
+<!ENTITY emsp "&#8195;">
+<!ENTITY ensp "&#8194;">
+<!ENTITY epsilon "&#949;">
+<!ENTITY Epsilon "&#917;">
+<!ENTITY equiv "&#8801;">
+<!ENTITY Eta "&#919;">
+<!ENTITY eta "&#951;">
+<!ENTITY ETH "&#208;">
+<!ENTITY eth "&#240;">
+<!ENTITY Euml "&#203;">
+<!ENTITY euml "&#235;">
+<!ENTITY exist "&#8707;">
+<!ENTITY fnof "&#402;">
+<!ENTITY forall "&#8704;">
+<!ENTITY frac12 "&#189;">
+<!ENTITY frac14 "&#188;">
+<!ENTITY frac34 "&#190;">
+<!ENTITY frasl "&#8260;">
+<!ENTITY Gamma "&#915;">
+<!ENTITY gamma "&#947;">
+<!ENTITY ge "&#8805;">
+<!ENTITY gt "&#62;">
+<!ENTITY harr "&#8596;">
+<!ENTITY hArr "&#8660;">
+<!ENTITY hearts "&#9829;">
+<!ENTITY hellip "&#8230;">
+<!ENTITY Iacute "&#205;">
+<!ENTITY iacute "&#237;">
+<!ENTITY Icirc "&#206;">
+<!ENTITY icirc "&#238;">
+<!ENTITY iexcl "&#161;">
+<!ENTITY Igrave "&#204;">
+<!ENTITY igrave "&#236;">
+<!ENTITY image "&#8465;">
+<!ENTITY infin "&#8734;">
+<!ENTITY int "&#8747;">
+<!ENTITY Iota "&#921;">
+<!ENTITY iota "&#953;">
+<!ENTITY iquest "&#191;">
+<!ENTITY isin "&#8712;">
+<!ENTITY Iuml "&#207;">
+<!ENTITY iuml "&#239;">
+<!ENTITY Kappa "&#922;">
+<!ENTITY kappa "&#954;">
+<!ENTITY Lambda "&#923;">
+<!ENTITY lambda "&#955;">
+<!ENTITY lang "&#9001;">
+<!ENTITY laquo "&#171;">
+<!ENTITY larr "&#8592;">
+<!ENTITY lArr "&#8656;">
+<!ENTITY lceil "&#8968;">
+<!ENTITY ldquo "&#8220;">
+<!ENTITY le "&#8804;">
+<!ENTITY lfloor "&#8970;">
+<!ENTITY lowast "&#8727;">
+<!ENTITY loz "&#9674;">
+<!ENTITY lrm "&#8206;">
+<!ENTITY lsaquo "&#8249;">
+<!ENTITY lsquo "&#8216;">
+<!ENTITY lt "&#60;">
+<!ENTITY macr "&#175;">
+<!ENTITY mdash "&#8212;">
+<!ENTITY micro "&#181;">
+<!ENTITY middot "&#183;">
+<!ENTITY minus "&#8722;">
+<!ENTITY Mu "&#924;">
+<!ENTITY mu "&#956;">
+<!ENTITY nabla "&#8711;">
+<!ENTITY nbsp "&#160;">
+<!ENTITY ndash "&#8211;">
+<!ENTITY ne "&#8800;">
+<!ENTITY ni "&#8715;">
+<!ENTITY not "&#172;">
+<!ENTITY notin "&#8713;">
+<!ENTITY nsub "&#8836;">
+<!ENTITY Ntilde "&#209;">
+<!ENTITY ntilde "&#241;">
+<!ENTITY Nu "&#925;">
+<!ENTITY nu "&#957;">
+<!ENTITY Oacute "&#211;">
+<!ENTITY oacute "&#243;">
+<!ENTITY Ocirc "&#212;">
+<!ENTITY ocirc "&#244;">
+<!ENTITY OElig "&#338;">
+<!ENTITY oelig "&#339;">
+<!ENTITY Ograve "&#210;">
+<!ENTITY ograve "&#242;">
+<!ENTITY oline "&#8254;">
+<!ENTITY Omega "&#937;">
+<!ENTITY omega "&#969;">
+<!ENTITY Omicron "&#927;">
+<!ENTITY omicron "&#959;">
+<!ENTITY oplus "&#8853;">
+<!ENTITY or "&#8870;">
+<!ENTITY ordf "&#170;">
+<!ENTITY ordm "&#186;">
+<!ENTITY Oslash "&#216;">
+<!ENTITY oslash "&#248;">
+<!ENTITY Otilde "&#213;">
+<!ENTITY otilde "&#245;">
+<!ENTITY otimes "&#8855;">
+<!ENTITY Ouml "&#214;">
+<!ENTITY ouml "&#246;">
+<!ENTITY para "&#182;">
+<!ENTITY part "&#8706;">
+<!ENTITY permil "&#8240;">
+<!ENTITY perp "&#8869;">
+<!ENTITY Phi "&#934;">
+<!ENTITY phi "&#966;">
+<!ENTITY Pi "&#928;">
+<!ENTITY pi "&#960;">
+<!ENTITY piv "&#982;">
+<!ENTITY plusmn "&#177;">
+<!ENTITY pound "&#163;">
+<!ENTITY prime "&#8242;">
+<!ENTITY Prime "&#8243;">
+<!ENTITY prod "&#8719;">
+<!ENTITY prop "&#8733;">
+<!ENTITY Psi "&#936;">
+<!ENTITY psi "&#968;">
+<!ENTITY quot "&#34;">
+<!ENTITY radic "&#8730;">
+<!ENTITY rang "&#9002;">
+<!ENTITY raquo "&#187;">
+<!ENTITY rarr "&#8594;">
+<!ENTITY rArr "&#8658;">
+<!ENTITY rceil "&#8969;">
+<!ENTITY rdquo "&#8221;">
+<!ENTITY real "&#8476;">
+<!ENTITY reg "&#174;">
+<!ENTITY rfloor "&#8971;">
+<!ENTITY Rho "&#929;">
+<!ENTITY rho "&#961;">
+<!ENTITY rlm "&#8207;">
+<!ENTITY rsaquo "&#8250;">
+<!ENTITY rsquo "&#8217;">
+<!ENTITY sbquo "&#8218;">
+<!ENTITY Scaron "&#352;">
+<!ENTITY scaron "&#353;">
+<!ENTITY sdot "&#8901;">
+<!ENTITY sect "&#167;">
+<!ENTITY shy "&#173;">
+<!ENTITY Sigma "&#931;">
+<!ENTITY sigma "&#963;">
+<!ENTITY sigmaf "&#962;">
+<!ENTITY sim "&#8764;">
+<!ENTITY spades "&#9824;">
+<!ENTITY sub "&#8834;">
+<!ENTITY sube "&#8838;">
+<!ENTITY sum "&#8721;">
+<!ENTITY sup "&#8835;">
+<!ENTITY sup1 "&#185;">
+<!ENTITY sup2 "&#178;">
+<!ENTITY sup3 "&#179;">
+<!ENTITY supe "&#8839;">
+<!ENTITY szlig "&#223;">
+<!ENTITY Tau "&#932;">
+<!ENTITY tau "&#964;">
+<!ENTITY there4 "&#8756;">
+<!ENTITY Theta "&#920;">
+<!ENTITY theta "&#952;">
+<!ENTITY thetasym "&#977;">
+<!ENTITY thinsp "&#8201;">
+<!ENTITY THORN "&#222;">
+<!ENTITY thorn "&#254;">
+<!ENTITY tilde "&#732;">
+<!ENTITY times "&#215;">
+<!ENTITY trade "&#8482;">
+<!ENTITY Uacute "&#218;">
+<!ENTITY uacute "&#250;">
+<!ENTITY uarr "&#8593;">
+<!ENTITY uArr "&#8657;">
+<!ENTITY Ucirc "&#219;">
+<!ENTITY ucirc "&#251;">
+<!ENTITY Ugrave "&#217;">
+<!ENTITY ugrave "&#249;">
+<!ENTITY uml "&#168;">
+<!ENTITY upsih "&#978;">
+<!ENTITY Upsilon "&#933;">
+<!ENTITY upsilon "&#965;">
+<!ENTITY Uuml "&#220;">
+<!ENTITY uuml "&#252;">
+<!ENTITY weierp "&#8472;">
+<!ENTITY Xi "&#926;">
+<!ENTITY xi "&#958;">
+<!ENTITY Yacute "&#221;">
+<!ENTITY yacute "&#253;">
+<!ENTITY yen "&#165;">
+<!ENTITY Yuml "&#376;">
+<!ENTITY yuml "&#255;">
+<!ENTITY Zeta "&#918;">
+<!ENTITY zeta "&#950;">
+<!ENTITY zwj "&#8205;">
+<!ENTITY zwnj "&#8204;">`.replace(/\n/g, ' ');
+
+  /**
+   * A reasonably strict xml declaration.
+   */
+  const XML_DECL = '<?xml version="1.0" standalone="no"?>';
+
+  /**
+   * The beginning of the XML doctype declaration.
+   */
+  const DOCTYPE_START = `<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd" [`;
+
+  /**
+   * The end of the XML docype declaration.
+   */
+  const DOCTYPE_END = ']>';
+
+  /**
+   * A full header for an SVG XML document.
+   */
+  const SVG_XML_HEADER = `${XML_DECL}
+    ${DOCTYPE_START}${HTML_ENTITIES}${DOCTYPE_END}`;
+
+    void Promise.all([...diagrams].map(renderOneMarmaid));
+  });
+</script>
+<style>
+  .jp-Mermaid:not(.jp-RenderedMermaid) {
+    display: none;
+  }
+
+  .jp-RenderedMermaid {
+    overflow: auto;
+    display: flex;
+  }
+
+  .jp-RenderedMermaid.jp-mod-warning {
+    width: auto;
+    padding: 0.5em;
+    margin-top: 0.5em;
+    border: var(--jp-border-width) solid var(--jp-warn-color2);
+    border-radius: var(--jp-border-radius);
+    color: var(--jp-ui-font-color1);
+    font-size: var(--jp-ui-font-size1);
+    white-space: pre-wrap;
+    word-wrap: break-word;
+  }
+
+  .jp-RenderedMermaid figure {
+    margin: 0;
+    overflow: auto;
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid img {
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid-Details > pre {
+    margin-top: 1em;
+  }
+
+  .jp-RenderedMermaid-Summary {
+    color: var(--jp-warn-color2);
+  }
+
+  .jp-RenderedMermaid:not(.jp-mod-warning) pre {
+    display: none;
+  }
+
+  .jp-RenderedMermaid-Summary > pre {
+    display: inline-block;
+    white-space: normal;
+  }
+</style>
+<!-- End of mermaid configuration --></head>
 <body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
-<div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+<main><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[1]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [1]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">molgrid</span>
-<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
-<span class="kn">import</span> <span class="nn">tensorflow</span> <span class="k">as</span> <span class="nn">tf</span>
-<span class="kn">import</span> <span class="nn">tensorflow.keras</span> <span class="k">as</span> <span class="nn">keras</span>
-<span class="kn">import</span> <span class="nn">keras.layers</span>
-<span class="kn">import</span> <span class="nn">os</span>
-<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">molgrid</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">numpy</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">np</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">tensorflow</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">tf</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">tensorflow.keras</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">keras</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">keras.layers</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">os</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">matplotlib.pyplot</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">plt</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
 <div class="jp-Cell-outputWrapper">
-
-
+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
 <div class="jp-OutputArea jp-Cell-outputArea">
-
 <div class="jp-OutputArea-child">
-
-    
-    <div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
-
-
-<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="application/vnd.jupyter.stderr">
+<div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
+<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="application/vnd.jupyter.stderr" tabindex="0">
 <pre style=" white-space: pre;">Using TensorFlow backend.
 </pre>
 </div>
 </div>
-
 </div>
-
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[2]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [2]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">molgrid</span><span class="o">.</span><span class="n">set_random_seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">molgrid</span><span class="o">.</span><span class="n">set_random_seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
 <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">seed</span><span class="p">(</span><span class="mi">0</span><span class="p">)</span>
 <span class="n">batch_size</span> <span class="o">=</span> <span class="mi">50</span>
-<span class="n">datadir</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">getcwd</span><span class="p">()</span> <span class="o">+</span><span class="s1">&#39;/../data&#39;</span>
-<span class="n">fname</span> <span class="o">=</span> <span class="n">datadir</span><span class="o">+</span><span class="s2">&quot;/small.types&quot;</span>
+<span class="n">datadir</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">getcwd</span><span class="p">()</span> <span class="o">+</span><span class="s1">'/../data'</span>
+<span class="n">fname</span> <span class="o">=</span> <span class="n">datadir</span><span class="o">+</span><span class="s2">"/small.types"</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[3]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [3]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span> <span class="nf">create_model</span><span class="p">(</span><span class="n">dims</span><span class="p">):</span>
-    <span class="sd">&quot;&quot;&quot; Creates a 3D CNN by defining and applying layers simultaneously. &quot;&quot;&quot;</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span><span class="w"> </span><span class="nf">create_model</span><span class="p">(</span><span class="n">dims</span><span class="p">):</span>
+<span class="w">    </span><span class="sd">""" Creates a 3D CNN by defining and applying layers simultaneously. """</span>
 
     <span class="n">input_layer</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Input</span><span class="p">(</span><span class="n">shape</span><span class="o">=</span><span class="n">dims</span><span class="p">)</span>
-    <span class="n">pool0</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">)(</span><span class="n">input_layer</span><span class="p">)</span>
-    <span class="n">conv1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">32</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">&quot;relu&quot;</span><span class="p">)(</span><span class="n">pool0</span><span class="p">)</span>
-    <span class="n">pool1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">)(</span><span class="n">conv1</span><span class="p">)</span>
-    <span class="n">conv2</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">&quot;relu&quot;</span><span class="p">)(</span><span class="n">pool1</span><span class="p">)</span>
-    <span class="n">pool2</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">)(</span><span class="n">conv2</span><span class="p">)</span>
-    <span class="n">conv3</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">128</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">&quot;relu&quot;</span><span class="p">)(</span><span class="n">pool2</span><span class="p">)</span>
+    <span class="n">pool0</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">)(</span><span class="n">input_layer</span><span class="p">)</span>
+    <span class="n">conv1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">32</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">"relu"</span><span class="p">)(</span><span class="n">pool0</span><span class="p">)</span>
+    <span class="n">pool1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">)(</span><span class="n">conv1</span><span class="p">)</span>
+    <span class="n">conv2</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">"relu"</span><span class="p">)(</span><span class="n">pool1</span><span class="p">)</span>
+    <span class="n">pool2</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">MaxPooling3D</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">)(</span><span class="n">conv2</span><span class="p">)</span>
+    <span class="n">conv3</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Conv3D</span><span class="p">(</span><span class="n">filters</span><span class="o">=</span><span class="mi">128</span><span class="p">,</span> <span class="n">kernel_size</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span> <span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">,</span> <span class="n">activation</span><span class="o">=</span><span class="s2">"relu"</span><span class="p">)(</span><span class="n">pool2</span><span class="p">)</span>
 
-    <span class="n">flatten</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Flatten</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">&quot;channels_first&quot;</span><span class="p">)(</span><span class="n">conv3</span><span class="p">)</span>
+    <span class="n">flatten</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Flatten</span><span class="p">(</span><span class="n">data_format</span><span class="o">=</span><span class="s2">"channels_first"</span><span class="p">)(</span><span class="n">conv3</span><span class="p">)</span>
 
-    <span class="n">fc1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Dense</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">activation</span><span class="o">=</span><span class="s1">&#39;softmax&#39;</span><span class="p">)(</span><span class="n">flatten</span><span class="p">)</span>
+    <span class="n">fc1</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">layers</span><span class="o">.</span><span class="n">Dense</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span><span class="n">activation</span><span class="o">=</span><span class="s1">'softmax'</span><span class="p">)(</span><span class="n">flatten</span><span class="p">)</span>
 
     <span class="c1"># Define and return model</span>
     <span class="n">model</span> <span class="o">=</span> <span class="n">keras</span><span class="o">.</span><span class="n">models</span><span class="o">.</span><span class="n">Model</span><span class="p">(</span><span class="n">inputs</span><span class="o">=</span><span class="n">input_layer</span><span class="p">,</span> <span class="n">outputs</span><span class="o">=</span><span class="n">fc1</span><span class="p">)</span>
-    <span class="n">model</span><span class="o">.</span><span class="n">compile</span><span class="p">(</span><span class="n">optimizer</span><span class="o">=</span><span class="n">keras</span><span class="o">.</span><span class="n">optimizers</span><span class="o">.</span><span class="n">SGD</span><span class="p">(</span><span class="n">lr</span><span class="o">=</span><span class="mf">0.01</span><span class="p">,</span> <span class="n">momentum</span><span class="o">=</span><span class="mf">0.9</span><span class="p">),</span> <span class="n">loss</span><span class="o">=</span><span class="s2">&quot;sparse_categorical_crossentropy&quot;</span><span class="p">)</span>
+    <span class="n">model</span><span class="o">.</span><span class="n">compile</span><span class="p">(</span><span class="n">optimizer</span><span class="o">=</span><span class="n">keras</span><span class="o">.</span><span class="n">optimizers</span><span class="o">.</span><span class="n">SGD</span><span class="p">(</span><span class="n">lr</span><span class="o">=</span><span class="mf">0.01</span><span class="p">,</span> <span class="n">momentum</span><span class="o">=</span><span class="mf">0.9</span><span class="p">),</span> <span class="n">loss</span><span class="o">=</span><span class="s2">"sparse_categorical_crossentropy"</span><span class="p">)</span>
 
     <span class="k">return</span> <span class="n">model</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[4]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [4]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">e</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">ExampleProvider</span><span class="p">(</span><span class="n">data_root</span><span class="o">=</span><span class="n">datadir</span><span class="o">+</span><span class="s2">&quot;/structs&quot;</span><span class="p">,</span><span class="n">balanced</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span><span class="n">shuffle</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">e</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">ExampleProvider</span><span class="p">(</span><span class="n">data_root</span><span class="o">=</span><span class="n">datadir</span><span class="o">+</span><span class="s2">"/structs"</span><span class="p">,</span><span class="n">balanced</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span><span class="n">shuffle</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
 <span class="n">e</span><span class="o">.</span><span class="n">populate</span><span class="p">(</span><span class="n">fname</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[5]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [5]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">()</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">()</span>
 <span class="n">dims</span> <span class="o">=</span> <span class="n">gmaker</span><span class="o">.</span><span class="n">grid_dimensions</span><span class="p">(</span><span class="n">e</span><span class="o">.</span><span class="n">num_types</span><span class="p">())</span>
 <span class="n">tensor_shape</span> <span class="o">=</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,)</span><span class="o">+</span><span class="n">dims</span>
 <span class="n">model</span> <span class="o">=</span> <span class="n">create_model</span><span class="p">(</span><span class="n">dims</span><span class="p">)</span>
 </pre></div>
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-     </div>
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 </div>
 </div>
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-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[6]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [6]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">labels</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">MGrid1f</span><span class="p">(</span><span class="n">batch_size</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">labels</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">MGrid1f</span><span class="p">(</span><span class="n">batch_size</span><span class="p">)</span>
 <span class="n">input_tensor</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">MGrid5f</span><span class="p">(</span><span class="o">*</span><span class="n">tensor_shape</span><span class="p">)</span>
 </pre></div>
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 </div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[7]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [7]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">losses</span> <span class="o">=</span> <span class="p">[]</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">losses</span> <span class="o">=</span> <span class="p">[]</span>
 <span class="c1"># train for 500 iterations</span>
 <span class="k">for</span> <span class="n">iteration</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">500</span><span class="p">):</span>
     <span class="c1"># load data</span>
@@ -14132,102 +7953,74 @@
     <span class="n">loss</span> <span class="o">=</span> <span class="n">model</span><span class="o">.</span><span class="n">train_on_batch</span><span class="p">(</span><span class="n">input_tensor</span><span class="o">.</span><span class="n">tonumpy</span><span class="p">(),</span> <span class="n">labels</span><span class="o">.</span><span class="n">tonumpy</span><span class="p">())</span>
     <span class="n">losses</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">float</span><span class="p">(</span><span class="n">loss</span><span class="p">))</span>
 </pre></div>
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+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[8]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [8]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="k">matplotlib</span> inline
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="n">matplotlib</span> <span class="n">inline</span>
 </pre></div>
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+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[9]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [9]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">losses</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">losses</span><span class="p">)</span>
 </pre></div>
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+</div>
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+<div class="jp-OutputArea-child jp-OutputArea-executeResult">
+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[9]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
 <pre style=" white-space: pre;">[&lt;matplotlib.lines.Line2D at 0x7f28f06bf9e8&gt;]</pre>
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vdtzbkunN1Cu+NE5aRbnsCOrr5QmQmd64b/nS8zouiPI0iwbfWCsWL7q3LIWGzvDZNngwXaU+U2MMYCbw5RI2N/P28tZlz/cEUB9Xpz25Mr8e9/er2/m1F1Egk9Ec0momVEtIKIrtVs81EiWkJEi4nobmF5kYgWeP9CM1MNRHhKpirrRk6n7O4roiUbFnouwjf+dQkefH0DfvP3d0rrEk7Zx60l3o6/r9yKS371sr9elxVUSClG4ja7uvN4fOkmv/Pao/DRT//aXHzhnteUxzrlu0/iqP94JLBMbGfQR+/+L3Yge3oLOP+257Eg0dzAyUfxVCqIhaKDB15ZF/hu6zUvML+/ehRuwmr76O+bvxZH3/go3uKzskUc/pElmwBAOQdEpTRyWqfjsIZzacUKPRHZAG4DcA6AGQAuIqIZ0jbTAVwH4GTG2GEAviys7maMHe39E2ekGrBkbQsZi9CdL2KNNMBKrm3TW3DQrBB6x2HY3ZP3BebHj73lr4uzjHmMgPv/RReS+EahO05AWBPckKJYXPPAIvzzb+b7Kaai64brWr7I8FehjITIbkVgtC+Q1RQ+r3h9c1/fgIVrd+Dbc5cGzl0plQrH7c+uwlf/sBD3v1JKFa1XYJYLfVc+/N1Wuw1PvLkZALCqYw/6Co4fH1JRqhJb/e+hkkPWupM4/juPY9a3H6vpOdKSxKKfBWAFY2wVY6wPwL0Azpe2+QyA2xhj2wGAMba5us2sP+O8wOz3/+HI0LqsbSFrW/jza+vx/h89HXBFyPXnXaEPf81vbdqDI775CB5buim0Li6omfPSKHk2iSjcoq9U92YgLk9WaEy11D1RGpeTjr4Yi14MyL6wcisA4OW3t+GsHz9T1vlUVJqGuHmXm5m1XXBrVHPqxc27e7SdMv/NVRle5fwmjyzeiDufXaVcxzsOiwgHff1vuPSul5Xbue0irw2pmxBLJZ1Hrfvfjt292LInHBjvT5II/XgAa4XP67xlIgcBOIiInieiF4lotrCumYjme8s/rDoBEV3ubTO/o0NdarfePPjFUzDnypPxj+0Tsfzmc/C1Dxzqr8vYhIxN2LSrF31FBzu78rjs1y+7IzwV1SrlGjsASq++CuKssCZuwfkWvXjOktJzoZGfCVGAdP5TOftFhufWi1lFKrG88PYXQsvk4/cGgrHh84rtfUfIatqwM1yXSH2u+G0qffhVvupiQhdcHJt29WDWzY/jJ8JbX/Dc7v9KoS/De3T5/7yCbz24VLmO/z5ygoEqGFtaVH1lreT3arRS2PXILKtWMDYDYDqA0wFcBOAOIhrprZvMGGsH8HEAPyGiULlHxtjtjLF2xlh7W1uyMru1ZuzQJhw5wb2ErG35qZf8c04YnLS7N4+nlnVgwdodyvrzPBVRJKoOTazQZ2SLvrS9eFxeM4dJD5roO/7PJ1bg/xaF3Sz5gNUffrD5w1KM6RBeXKWeC148vs5141v0dXCBVOpTVf1m1Wo3f1t4Ypn6RZl3ml2KUdjVHjDFfzZLuh9Up7Ea1KJvJJ1fvaUTB37tb/izV1qkViQR+vUAJgqfJ3jLRNYBmMMYyzPG3gbwFlzhB2Nsvff/KgBPATimwjb3Cxmr9FVx1w1nq/ea1ld0lLVtmhSuGytq9qeEQq+y6MXnT5X+CYRdOovf3YX2bz2G2T8puULEzoAxFhJ6LmyBLJMUhonYZlUw9rDrH8KDr2/w2luexZPGF1vpw6/6ySrxj2/Y2e0XkJM7at25q+W6iTyXd7KMImVYhj8yjeajbySL/s2N7pv93Ncrmyc6jiRCPw/AdCKaSkQ5ABcCkLNn/gzXmgcRjYXryllFRKOIqElYfjKAJVVqe10R68hkbPLnUQWArZ1eSYSio6z90qxw3UTdbHHVK7krqNPLuhE7Bgq4btTHkbNxbCJs2dOLNzfuxs6uvBtkEzoDxsIPdp+fuy+0O8UDxNtQKDqhsgcA0CmIVvCNJXkmTRqhrfThZ77rJpx1w1j6LIwTv/METvjO44FlupIW/Jy9BQeFooOv/el1rN3mJglUO/uDX5Od4Hfg7a2Frg4Wi75exAo9Y6wA4EoADwNYCuA+xthiIrqRiHgWzcMAthLREgBPAriaMbYVwKEA5hPRQm/5LYyxgSn0gvslawUt+i27vSJnBZbYon9j/U7tuVQGLGMMJ33ncdz90hrkuEXfG7boA8HYBD56IPgWcNSNj+Dzv3s1YEU7jIWEvldRFC2NqHDxlsciqB7gctMU03Q8lQq9qlPhy7507wJM+/e5FR0f0Fv24qkXrtuB3720Blf9foHbhmpb9BrXjQqqYdZNRUK/F9bnSTTxCGNsLoC50rLrhb8ZgK94/8Rt/g7giMqb2f802aLrhvx5VAH41RHzRUc5daAqGLtaUfeeo7Lot3X24d2dPbhhzhs4yosdPP7mJowZmgsIufj48WDg31duxQOvrMMFMyf47RSRH9rHlm5C0Tnc/+wwFiqYxi16UYTTPHy8DXJl0KhJUoD4zHhxSsCoEhAylQdj3f9/84IwHsJbOEeTapqEZ5d34OJf6TNb3HOXGm/z+X15R6zpI1d27MG44c2h2kVxxGX+iFhUS4u++vv2Z52iWp/ZjIxNSE6w6DO2FXDddHhC31d0Egdjo1BZ9Ku87JhJo1v9N4SHF2/CP/9mfkAcRdeGmOP81T+4FRx/8/fV+PuKrYFjq17DxX1VwVhVW9M8JzqhV117mqDmad9/Cp/69cvesdL46MPb5otO4viAqpOrhnD8+vnV/t861414bv7m5Vcn1ajs+374ND5550up2+MXwwvVagpvWxqZXAsffSWuG/W+ugGGgwEj9AkRhT4nBWN5zqzOolcNmIqCW/S3/O1N/L+fPQ8AeLvDFfrJY4aEArm6W15+M2CM4YY5i3Hz3GDqnOo1XBQ4pnDdcMQHPo2w8YdKjmkoXTcJH8A9vQWs2daFJ5e5Kbq+2yKBKKhcHNO/9jd87PYX/c9/XfguvvHnN5T7q9sti2F6cdqYIIVUPCyvNJqkaF2y0cVB+HUm+an9rJsa6OfzK7bilXe2l7Wvru31yO7SUeuZGI3QJ0R0v2Rsknz03HWj8dGntOj5DfeLp1fi1TXuw8gt+nHDm0MPb8B1EzFgavNu9QQcqgwgORhrayY1KbeIFz++bEWpBDPQFsWx/rJgPZ5bvgUvrQq+qajcDHt6C7jm/oWhejs6MRLF5Av3vIb/efEd5XZJsm50WVBRyEXyVARGEwujk912hc8Z9TvFddb8nkri+6+lj/6Ku1/FBT//e1n76q6/XpVSVRjXTYMgWvRZmwJ59NxH31dQZ92kFXrVg1Ea7s/8h+3w8W45Zd0sVrKwqObDBQDVDISy712MSQTamrBAWrhtnuumKL91hLdVDaIS+dK9C/DJX72EZd4gtLZhTaH9OL99YTXum78OdzwTHPkZJ0Z8RK6OJEHkclwDut9Wd25+zfzcqnZFaXnc+XyLPoH16/voY7esL7qfupyOeKBghD4hQaG3ApNx8PoyezQTXDSldN2oShf4A5QchoLj4D0HjsUnjp8c2k41YIoj18rnyBa9RXKZhODkIyKBAVNOcqte56NXWvSBTkd/zLXb3MqdJG0r7sID1LLfOK7ZF93xYuR6lfCFLfrKLEZdRqP4nXGB9y1vZcxD3464ssKq0cq6tnFvX6MVINN16vUqQtcfGKFPiGjBZyQfPb/pdUW20gdj9f7egsNQdBgyNmFkS7icsija8sO4YYfa3ysHWjOWFRrEZGssetnaTurm9NMrQ8HYaF93lGjw3HE+cCjKmpU7tyiLPknxtDiXE6Aua50GXRPF5fyNMsp1E6VnPX3RbeT3lNxpKYOxqN3I2ErQNSdp1diBSLrcqr2YgEVvBV03HHFaPZG0Fr3KBVIUXpkLjhscHdEaFvpAemVCi1IWPduiQCfBmH7icbl+fNKArD69MrytnNOvY+12V+g7+wpgmrbw/eWriTrupl3BDrLohEcKqy477LpJ9t10aGIpOsS28xiR77qRGvbCyq2RnaWqAmbgXBqhV8FtgwYz6LW/tcm6MQSscrcEQlj4uNC/58CxwX2lTuGEaaO155FFFkBAtLhFb1uEkS250P6B9EpJWHQ+dDnrxrYoVOFSl14pbld0WOLAm85Hr/Z1B91DOt7d0e0dw7VsowKR8gjbqP5JrkSoEgSVeMrHzCviNyqOu1ld4lbvuin9zbO+dEHTi+54ER+PSKvUTX3J4ceLsn6Xb9qNd7Z2CtUr9dvu7M7jottfxPod3dptqo2uOf2RdZNioHdFGKFPSNB1Q8pBUDyQddGsSfjJx472l4s594CbC6+jKWPBcVjA0l20bieWb3Inb3AYQ77oIGNZsRa9bFHqHjj5XnM7m2ChMW16pWTRJxX6voLadeOwsGgmHZSVLzKMHuJ2ft19RaVFz5eEUlRTZKKohD7q7SFqv9A+ZYiNeB4+joOfK+3hdJPZ++fys3r013Lmj5/Bad9/yr+vor7bVR178MKqrXh9XfpUz3LRB2Prb9HX623HCH1CRKs3a1vKGvOc1pyNEYL/XB5VmlGluXg0Z20UHBbwC59/2/NYsmEXANeS4j561cxVomrLFopOROQHMaOw6C0ipfUR9NEnFxYu3iqLPmQJS6meUW3n33tnX8E/Tm/ewX3z1iJfDFr55/7ns8rrkJHXqYPl4f34982/tyQ++nL8+OJXUHLdlFx9adAlFHD47yZPOBI5MlZzrMeXbsJHfuamSCbJLkrDonU7MOXaB7FQMVZAZSx87n9fwbn/+VzF5220maU4RujLIGtbaFbMA8tpydmBGz8jBTKzEXVCmjMWig7T+vufWd6B1Vu7YFukdKeISx5cFKyIp9MQWcgyNgWsG8bch1aVb79DyEcvy3WjyLqR30SiJkqR2z7cE/ruvqL/0C3btBvXPLAIP3hkmX++3kIRi9/dJRxX31bZ/aGy/KICv3zkcZSPfvPuHm1RvCh2dPXhf4Xcfu66KToM72ztxOJ39TWVVOzR3HccfumyG4pf/u9eKrXFn2FK8+WKk5l3xwSBdehy3x/1pjF8all4fgtVa/72xsayzh9qT0qhN66bBsa2SFmRktOStQMinJNcN/uPbNHu25S1I4WeP8gZi5Rxgqjqjnc9/7Zyuaw/Gcvyb1giz6K31KUSXltTspgcxqSyxRFuFp3rxgkHUYsRrhtZPEsWfTEk0P/zwju+5SiPYI503STInlELvbuMvw3qXAM9+SJm3fw4rn3gdWUJDY7ql/3CPa/huRVbAsfinPb9p/CDR9STlajYsLMb/ysItYpSemX4WvJFB1/7U2nkcNwMU+JvX65F36PpGPn9q0oLrqXV3Z/1cqIwQl8mUWUNWnN2wPrdZ1gzDmgbgjsuacdtHz8W//yeqf66FTefE9i3ybPoF8T4LG3LirXokyJbRZZVEiWLKNJ1I+I4wYc6agAVz40Pj4wNW0VRrhtZdIc3u4lkXX2F0EPX1Vf0K37KUz6ms+gVoq6pOAqU4hu6YCz/Dh5evDHU8cWxdENwprIowYzLZ//Ur+cFO+6IsQGq70A+fNzIWPHtpTsmf1+HaiQ6ULqnVbGlWvrFq10ttFqY9MoyaYnw0cuum9acjce/erpyW9lfz4U+bsaZjEUhlxBQ3qugLLYZy/LdJRYJLoiY0rRyemVk4NR3oYRdN7IFHRWMldvOLfqu3qLy/O94ufbylI/ytlE1fFTuAnVRM/d//iak87+L2SlphZ6PyuZEuX7i3ELifLe8PZZgOnz3oTf90hGqOIU8CC2uemU1LHpd8Jh3RHJ8DKhtmeKiNOYjzfwJtcRY9GUSbdFnAha96mbT0ZS1UXAcLNu4G6MUWTWcjE1Q6a6uwmEUfdJDa1uEVVvcLB8iAoPeRy9SZCw412yErujq0bMYiz4cqNUIfb6otEiXeH75sEXPtJ9loU/ruuF1guTpEy+8/QU8t3wLrvcKpTmMVTyoSmfhAmFRlO8fuWSx/PX9/KmV/t/qFNPgZ358nZUruqnK9dHrXF3cOFC5N2vpXSkkHMVdbxIpEBHNJqJlRLSCiK7VbPNRIlpCRIuJ6G5h+aVEtNz7d2m1Gt7ftEQEY2XXTRqhz9kWtu7pw57eAqaOHaLdLmOR0lpYFjHpuOzpj3AAACAASURBVI4HXlkX+LxmWxdue9J9qC1yLROLwsIgwxgLPNRRr7F9EcHYsI9e/5bAff2cEX4wthCKPQAly7FXEkS5qVFz4SpdN6qsGy70fjC2dK1vb+nEi6u24ZO/egl/9N7eHBb+PtISJfTynLLy/TO0OWhYyNc9RLjn84pePOy6cY+v81uLi8v20SuqxYrnVI3ormVJhmLEm2B/EqtARGQDuA3AOQBmALiIiGZI20wHcB2AkxljhwH4srd8NIAbABwPYBaAG4hoVFWvoJ+Q8+jFZ6YpYwUKhenqxMi89o0zYVuEt72aNNPahmq31ZUkKAd5sIooNqKPPs51U5R89FGuG/7qHyqB4I0TCG4rWEmyte+oLfrO3rBFL/prZYGQH0rxsLKbInnWjT4YqwzMsnj3SmBzxTl1wgeE/eDyrzlMsujlw/NicUB0PSb/+NyiTyB4UR2Uf3zFcXT78c5YGYyNaU6CybO0FAaq0MMV6BWMsVWMsT4A9wI4X9rmMwBuY4xtBwDGGJ+u/mwAjzLGtnnrHgUwuzpN719ki364YA0RBa3tOIuevzKPGpKDbZH/gEVZ9JXcjG6bkh3AIoLjuNcU57pJlXUTUQIhNEBJytVXHYfjW/T5YNZNLmNh8pjSQDVZIEJpmxFvJmqhDy3yOwvewYjXqnR9IJ2PXnXOKMHs7JVdN5JFH3LdBE8gCr26/UG4GzGJ4MUN1FK1B9B3bNw4UN3ncRZ9nEETRcCib6DAbJJg7HgAa4XP6+Ba6CIHAQARPQ/ABvBNxthDmn3Hl93aBqJZKlQ2sjWLnd15X4CDrpvwjXP7xTP9+jnzv/5+X9z5TUYEHNCmF/pKrQW3cFnw4frCew/EXxe+G5jm0OLplRQ/T6gj5dFHtZELRSjrxqvlIxJV60Z23bTk3NTWzt4ChgjC1ZSxMHpIDiu9CVzism6KER2WOusmwqJX5NHr3D+RQi8JsyrFMdJHL6+Tfs6cdE/LQtWaK32f6vYHl/GgZyKhT2DRq4RTt19B4bo55sZHcMUZB+LUg9oizxNn0ERRrkVf6z6hWu//GQDTAZwO4CIAdxDRyKQ7E9HlRDSfiOZ3dIQHODQicjCWV5LkWTSiJqqyY846bF+cfvA+/rH4G8Kh+7k15t9z4FiMbA3XsuFUWjtblXa2/8gWzJoarMNjeW8YlMBHX5RGtUbd51yQwiNjgV9L+f6FCIte3j9nW2jN2ejqKwYst+asjR1dbsZI27CmUNaNbOWJwi2PAlWlSeqmEty6p9fvvMVOTZW5wxhL5bpRCUm06yZaTEMVKaVD9RUc/x5Qt1/9OYllm0ToVYfx5y4uOoFRvdy1JN6y27vy+NaDS2MH9enKfSQhMOZD8wAUHYbfvrA6EEh+bOkmLC8jvpaUJEK/HsBE4fMEb5nIOgBzGGN5xtjbAN6CK/xJ9gVj7HbGWDtjrL2tLbq37U/u+cwJ+MUnjwUQdt2M8mqs8BsvzqLXceUZB+Lqsw/Gtz9yROR+FdflUBzaJgr5/i0iMHg++ljXTfwkIRw/KCoJW1e+gN+9tCawLKpMsSw4GU/o3Vo3peXNWQvf/n9H4JzD98UJ08bEW/TCeWRh392bD2V7qJ7p/3x8OWZ+67HA5PEcdeZOuhIIqlGY8nWJyAXLZD3j9+4njp/ktSd4/N5CEcdMGqU9t/zb8OMlGaAU9Sby9Fsd+OOr65QdG/+drr5/EQ6/4WF/uTjxCmMMT7652V8X1+/EvblGEbDoNSf602vrcf1fFuNnT64MtOXMHz9T9nnjSCL08wBMJ6KpRJQDcCGAOdI2f4ZrzYOIxsJ15awC8DCAs4holBeEPctbNiA58YAxmH34fgAQGhn74aODHilR6NPk0uYyFq4440BMHN0a6duvRQEm26KQNbOtsw9vbdqT6HXWcYLplVGvrlx0ZFeFbGkD0Xn08sOUtQlDchl09hUC65ozNo6bMho//+RMtGbt2AlPRHGSxfeq3y/EObc+q92evxW968336l9rwKJXfzdpfPTyeAMg2qKXJxWRU3H7ig6OnjgSB+87DED4O+nJO359JV1HJcI7wyRlAaLeNi6962V85b6Fmtr67rI/8cwlaUAXY8ATb27Gp/57ntDO2ln0gXIdmuve7k1U5I5+r48fP1boGWMFAFfCFeilAO5jjC0mohuJ6Dxvs4cBbCWiJQCeBHA1Y2wrY2wbgJvgdhbzANzoLRvwNOfcr270kByevvp0nH/0/pg1ZTQ+2j4BQKkWdyWoXD6cSvOtVfeXbZGfpdCas7HfiGZ/HVH8K7gjp1dGPODdgtCLJaBVrouoPHrZTZ21LbR4Fr34oDUJA9yyGYoV+iiLHgBWdQRn6xL3/8gx6jCUGE/QddRpSiCoBFROGxWR3SMqiz6XsXzD5FP/PQ/ffejNQNv4m6zO9RRsS6nuDqdjdy8eUtSV0ZVHFucCUI3LCI25kCZFLzosNFdynEUfNUYmjiTBWN7GbIZq7pvnJBoZyxibC2CutOx64W8G4CveP3nfuwDcVVkzG48m270Z8kUHk8e4QdP7Pnuiv76SgA5HrpEjUov5LUWL/rD9h+PICSPxq+dcf7lFFBtcKjoML7+9LfBZx+Nvbsadz65CvuhgWttQZCzC6+t3Ki3aKHdQ2KK3tBY9J2fboQ7lgVfXI19k+IeZE0LnTNKpiueSLUIiV1ziXDdASos+RbohANzx7CqpXcF25osOhjRl/A5g0bqdWLRuJ/5t9iEA3E64Ncfve3UwOdAWr9MqOm420Z8XrMftz6zCis178OZNweQ7XbvFomxRFj2nUGRoyohlmpk2dqCj1sFYbvXnbKtug6rMyNgyaW1yb/h/Onmqcn2l6Y9AtEVf6Yz1qvsrY5V89EObMoE0M4viO5e3t3Ti+r+UKhLGuZe+9eBS9BUdDMnZ+OsX3oOmjKW0aOVKmiKhXHmbSha9FIzlZDMUsiCfeasD//qHhcJxS+uSCL3YLjk9j68Tr00XdE0j9Mqsm4j9+Zy6HPkW7Ss6yNqWVuh68qLQq9NDRXyLnjH85LG3cM39i7BiszviWr5+XTB2W6dQHVUV8NakvnLBVYl60gqr5RCYn0HzU/A2ZiyrpuUYRIzQl0nWtrD6lnNx1ZkHKddXw6LPRsw1W6mPPmsTVn77A4FllmDRD2nKBLL5SGHRy4LGJ0nnJKq/XnD8WIRFYZcKkK5McdZyg7GdsutG+C5V00DKBF03mldwTdqnLg978+5enPmjp/Hamu1VEfq0Fr2MfIv2FRzkbEsbdO8tFNGUces4KWvdhHz07rXc/dIa/Ewon8DPJdKdLyozn/isYUNytjazKXBcLvSiRS+JaZzQV9IRBGZc07lueB2eDNXNojdFzWpEVYQ+4rVguGJi8ChasnbAatpnWLNiUvCSj35ILhN44InCnYtFgCgrSSboANwMGB407Cs4aG3N+MdTCSC3XE/7/pMhSzzkuskQWnMZRdaN6LpJIPQB141aPHd15zFmqDuIyAm4btTHX9XRieWb92Dpht1aX3pc58gYw03/txQfPW6CMlifTuhl1w1DNmOFOgDHYVi/oxu9BQfNWbe8R5JaN1FtUU0uzo/P+fbcpbjTcx225DJKC/nrf34j4Mfn9xy36FViG6etlRj8SUog8GvPWlZNyzGIGIu+RnChr8SFo8u6OaBtCP7jvMNSHevSk6YEPu8zvCm0jWjRN2ctyXUTnstWztqQHyqdaI0ZUjp3rxcA5OdXuW74ed8RBnJxwmUOuEVfCIhvMBgbf9s7CSz6ncKkK6II6Sx6Xh2yJ1/UWvRxefQde3px1/Nv45JfvayZvjBy9wA7u/N45Z1STIVb9KKR0jasCT94ZBlO+d6TfuDcJgqNLXDPLbluIq5FZQTIHcP/CRPnRE1T+dMnVvh/+64b7/gOi5+VTKYiiz7BtJd+CWW7fsFYI/Q1gj8r4mjCtOhq5Fx60hQMa05u0X/46P0h9xn7DGsObScWSmvO2gGLz6KwhSJbfqHSBZoHXXwb6ROFnkht0UfEBuTOJWdbaMpY6Cs4gfaI0y4mKTKXJBgrzq4VtOg1Qu+5trojhD7OdcNPky86kd9LUi74+Qulcxcd5DIUyBgbMySH+4Wid+59ocm6kT5HZRCpvlPZTz9+VGmCnkLRiU0GAIQR157gqkQ9Tlwr+VaTWPR9QidUy3iBiBH6GsEHXURVuYxDJ0hRQVoVP7nwmJDfdZzCoreFV/KmrB3YR+WK4ouumX0wgOgaNSLiUPtdPXk0CaOJVUIXFY9QTYNoWxSa1nCUMMpYHuofd1xZlK7/oFvTb2eXWuhtTQfd2VeqnKkTQbkmvMiCtTvwzFsdfvuqXTRLZdFnbAqkJ7oF+0hd1ExqT1ROvyqQLOfSTxCEPqkocv83b1/RCYc74762StwpybJueAqoYyz6gQ4XrNYKhL4pY+GsGeNw7KRgNYmk1TBFeMczzJuB6byj9w9tY1vkP5xyBU7Ruj9q4khMaxuCaWPd6prc5y2LtM6izwnt39bZF2/RSwOxROSHP2MTLItCr/ojhdr+uQTfn7iveF2XnDjZr5WyqyePHV19mHLtg9i0qySGcQNuuvNF5cAwAFi6YZdyOefq+xcB4HX7wzGTcuDzq+aLwTx6IOyea8paAYMgiiiLXtVRyBb9PmK1TMdJ5JbK+yJasppl4jqMavnodecp1XlKPsdypRihrxHcGj503+FlH4OIcPsl7Tj7sH0Dy9OUVOBw8Tli/AisvuVcHKJolyv07sPWnLUDQ8FFg/6GD83AE189HVPGutUgeUbLI55gcEQh2l8YfCVa1A4rlY8gXdZNhPUq603WcoVItnjFukFRrhtxoA1HbhPv2PJFFigAx4krFdGT108CvlIaiKVtJwt/Jyp3nIyqM/jMb+fD8XLd3fRK/fbNXtaNXB6aKXzoURa90nUjWfTi4RwnWZEwLqK8k2Es7KSP01aHMSzdsCtQOyeO1Vs6MeXaB/03LiAiGCvcY3Uy6I3Q14pJY1px12Xt+OFHj6r4WHJwr5xa9Enqd9hCMLQ5q8+n5sLOHxi5Nj9HnLnqA0fs5/8tC+04z3KzKDw1HuC+6uqG0YvuAttyrXnXog92AuJsXVFCz68/EIwN1dMhv12qrzXuu+6OcN0kdcc4LFzlc5JQhlmHzu23rasPBYchl9GnVwJuJ21bFApQM4QFNMrqV73tyRZ9kTEMa8rgyjMODM1epj1ukeHVNduxZY/rAlNZzKrjiJfsMOCcW5/FP/16Xmg7HS+9vRUA8MCrpXiGdq7cfCkF1GTdDALee8i4QKnccpFdAeW8ovOHN+q+El03zZmgj168IbnQ8xtZ5/MWH2bxQTpqQtAVNW64a4lu3t2rHApfKIYnI/HXCWLH33R4u8U3ioDrJsJH3+MP2y8tky16LvR5hyk7Q3faRe0pIrNukqKycCeNdoU+qp66TsM3enV5snbQdSNPM5m1ycvACpeQkIUtKlis6rhli95xmN9xFx2WqApmvujgxVVb/c9FJxxcVR1FvNe5D/3l1cmrtfCmBYOx6m3FGkBmZKzBR35wy5kXNslkCrLrRhQF8QbOeeUf+M2tixmI4iyKxxffNx3f+GBpkrJxI6JdDnlHn2EiloXNetYqN9jF84uum6g8en794vXKI3N9103BUQqnO+1icIWY9dOTL0bWpEkULFZZ9KPjLXqdrtzllYZuygRdN/Kbh21ZsCwKjZJmLHxsVcCVo+q4O/sKoVoxtlWqmpoky+jiX72MddtLI4CjZv4SsQKdW/pOmB9R/El0b2e8Q3NjT6lPVRZG6AcCVLlFn2QAl20RTj/YDTQest+w4HBu4YbM+Ra9+1kXfAwKffA8p0wf63/mFr3I2YeN8/8uOmFRK51DSGv0OhzuOukT3AsjW5K5bnq8EZp/eq30Ci5btXzOgYIma0I1G9fwltKbXU/ewa4evf93eILUWXdu3aAgTRztZqmUk43zx1fd6o+9BSfQdjlonLHIK4chW/SKmv4RzVCV07jq9wtx8i1P+J+Ljnvf8t81qQA/KsSKmKLWjapdorFSTh2pNKUWuIuqYIKxBhFZRoOlCZIdI5FFT4SPtk/Eom+ehQPahgZePdXlBNxluk5EFEj5LWRfwYpvGxpO9RTFv1BkoXltOcWA68ZtF+94RDEa0ZLMddNbcPDQGxtx33xB6CWrlruI8kV1kJgoXL1UHE/RnS9il5CDLyN2CjoYC1u4E0bFW/RxfPiY8YG2y+LKLWz53CpBjeIzv52vXL4xUK2SwbaEGboSurvEO00l6iq/eGvOxonTxuDiEyYnOodMkvIMHG7RFx2nbsFYUwJhABDWUQr8leRm4VZuXJyfiHyLMjAtoPC3bNHrOpGCxqIHXKv1ia+ehg07e5TCK9amWb+jGx++7XnlOcTsD7FmDuAK/f4jmvHLi9t9K9zdTt/p9eSLeODV4Nw4ooXHwHwXUb7oKN0TlsKib5ZcN7s1Fj1ReJJuHbKQTEwg9FHd/aypozF+ZAveEmY6kl1MGc9nLmfdFBkLDKyqBkXGvMlw3M9J6tpzMhb52VqysKutb+DAfYaiWRhBnaaKiapluphCpzcvQD4ibbjaGIt+AGIFLPpkd2Ncyh8QvjF1o/xyUjBWZ9GLFrWqL5jWNhQnH1hy4Tx7zRmhc8S2uSha9F4wVrDoR7TmcMSEEYF9ol03DjqltLpQjR/PfVEoMqXfmKDy0ZfO2Z0vYleP2qIf2pRJ/JvKwifmnZcDjz3YEf5q23I7MVmfdnTl8ctngmWQ06C6ZB6M5VlmSQu+EbmuGLc8tCLrRiHLRYeFYitpPKSq8+gmHunyJmkvFhvMR09Es4loGRGtIKJrFesvI6IOIlrg/fu0sK4oLJdnpjIkQHZ7UBk3I9e2qBsrVJRMM/iDu0b81ZpGRLluVIwfWRoJqUvZlBFH33KrnQt9X5GFSj+4x44Q+kIxJG4qgcnalmfRqwN7cscmjpDu7itqc7ST+Oc5oQFTFdbG9mMcotCHMo6sRG7AtKg631Iw1v28tVM/aljEYW4aqUVumq38C139h0WKfdxORbxNHQYsWrcDgNvZRw0AUz1XN/3fEsV2TLDonbr56GPfEYnIBnAbgDPhzg07j4jmMMbkq/g9Y+xKxSG6GWNHV95UAydo0SfbJ0nuvfwAOxqLnnc03IrRNeHtLaXBP0TAA587KVJkRaGK2k5EDEjyDogLVaHoKEUpMo8+74TS/PRCrw4Suz562aIvPWpb9vRqO1w+cjkJe3rDwjPE61A6YyYCV8Fz7C1J7ILbUCqXBmfGfsOxJGLUb8YiyDJedDzXjfd7bd7dE95RQXdf0bPO1b5zVYfheKmy8pvYef/1PFbfci4+9NPnsLJjD5bf/IHQvoD6PKrBdL2F0gjfoiK9kr/FVJskT9MsACsYY6sYY30A7gVwftVbYkhMIBjryezYoTnltjytL66O1+dOPwAHjxsWWBa06MP78Htb57r568J3hXYCMyePwuHjRyi3lUlSeAwIBiS5u0d03ajaJlav/OaHZgTW9RaKgSqKOdtCryLbI2uTV1gsvI4U6ZViKYyorI7hzdnEQrpc8KVzXvnGmXjlG2cmO4AEd31FuY7EdMc0iNVDVagyt7iVzc+3eVd4MJ2Krr4CMt54gGLCILHD3GvTXdmbG3cjX2Ta0stJDXPRLVgohn30cuyjWiR5msYDWCt8Xuctk7mAiBYR0f1ENFFY3kxE84noRSL6cCWN3VuRnys+daHI3750Kg4fHy5r8Kr30HPh0d2PnzllWugBF61llb+RRWTdHD0xOCgqzQTpQLIsIQCBACAXCy4MvQVHKSBiHn37lNGBdT35oNBzQZfJ2BYKTpTrRp9HH0WSjBuOONye05y1y57zNGOHLfrwNuFrS0LcG1pG0bE7DgLB2KQWPRdt24slJHGPOIwpO2iZ19fvVC7XnUEWcnFAoCo9txZThALVC8b+FcAUxtiRAB4F8Bth3WTGWDuAjwP4CREdIO9MRJd7ncH8jo7wzWtw+Vj7RMz72vtxQNtQfxm/L1tydmBeVA73DccJp2q9qG+qDALeDxAB7z90XGDdYfsHO5202pB0e/E13M+68a6lN+8oB3OJQi+v78k7gaH4uYyltNayFqGvoE+vlNuftIppEh/9mCE5TBrdqnQNcC4+YbKy44+CT3QT5TrgWTdpycXEXFQdcpEFg7GbdvUm7jBtL07iJKzy6TDXdaO773ige1XHHuV6fdG94Oc9skUvdRGVThGqI4nQrwcgWugTvGU+jLGtjDH+XnUngJnCuvXe/6sAPAXgGPkEjLHbGWPtjLH2tra2VBewN8DvPQaGNimzgt+YFkWnWca9butenTlFh+Hqsw8ODGT67Olun33Y/sNx56XtgX33k0a7ljOaNy1yHn1voah0AWWFSdfl6/7Bw8uwXSg/LO/Pv5JsxrXoVda+RRR6A0paxXRYcyb2m2rO2rHHu+nDh+PC4yYlOidHFYyVsS0r1g2oItaiV91/Xh49P9+mXT3KCXNU8OygIktWOsFh7jOie/Pk7dOleIqnENN35U6mq08QeoWPvpxRuUlI8pPNAzCdiKYSUQ7AhQAC2TNEtJ/w8TwAS73lo4ioyft7LICTAYRD0YZIojR65uRRAOClvOlv6DgrTG3RB7NurjjjQPzy4pKgn3ZQG1bfcm6gvABn3xEtoWVpKKdbkEfGJnHd2JaFOy9p91M7d0vZMPo5AdxBQ0qLHmF3gcoSVQVek0wRmcvoC86J8G1aczbeI6Sx6kjkurHKc93EpcuqXDdFFgyQduzuxVjF4Dr18Xh6pT7NMXAuL71SdWXic6U7VmAi+oztz9Eg3wedvUHXTZr6QJUQ6xBkjBWI6EoADwOwAdzFGFtMRDcCmM8YmwPgi0R0HoACgG0ALvN2PxTAL4nIgdup3KLI1jEkRKXjv/jkTLy9pRPNWTuZRa/ZSCWIgWBsSkNDtujrQVbKA+8tOEoBEZdlLML7Z4zz/5YtNp0lmrUt9GlmeVJNpK5y3QxtyoQGTg1rjs+jb87aiWIYfBPbIlx20hQ8t2ILiNzMHFVWju+6iQnGliP0ad4oGWP+d2gR+dlAvQUHwxNmJbm+fT4vQfS2XMgti5RvnqKVrbXoxXPbpQCyzqIf3pzxgrHB4ySp818Oib41xthcAHOlZdcLf18H4DrFfn8HcESFbdzriXJ7DGvO4kivGmRcZcooVOsvO2kK7nl5DQD9KD8d+0pCX4/K26UBU+7nosNia/cH5sV18/GkY+qFXlc+WXEYpTgOVYyATeKjb83ZiUaJ8nMSSrNeMQY8/q+n47Jfv4w3NwazdkoWfYSP3o6uzKkjrm8QYyV9RQdNGRsOz6MXfoKkgWbeITmKuv0yfLXuupdvKvnlV2zeg+2dff4cChzx8chY5N9X8nPDLfrhLVnlhDqNHow11JBmzxqMK3ks3yJifZe4EggqK/LgfYfhvn850d0vpdCPTOCCUDF17BDeIPG/RMglEAB9/XXuyrAlS1JGdDlMGt2KK997oHtcm7w8elV6JYVeyVUdqer3TOK6acnaSDL3jPjdiRbzviOacazn8hPh31/Ud56xyhswFbeHOM6Dix3Poxd/z8TBWIu8t4LorJuefBHvbHXHe/Dce5kP/vQ5/+/fvbQGZ/746dA24nMlvvVwV88LK7dixeY9/mCp4c1ZZfVKXfpmpZhaNwOAc4/YD+u2d+HSE6dEbyjcNdfMPhjnCpN9xE1vp0O0jtPtFzxf0n5i7hdPQW+hiP9btAGA2+6kVk7GL1MsCL1GEX958Uw8u3xLoHiaMrtG2P9///l47OfFHrK2hW2dffjxo2+F9rEo/H2pYiRJ/fah/XJ25CjNUjtKefGy6yTqWuNcN2lTZYH4ekzi95wvOECT6y60rOBv2BwRhH7kqlPx6d/Mx5ptXf6bAIux6L9630I8+Lp7r1lWuLSDqv18UpPtnX34wj2v4UcfOyrguxc7Q37ui+54EQDw+dMPQMYitA1rwtbO3tCbX5LftRyM0A8AbIvw+dMPjN2O3zP//anjcPrB+wTW+Xn0Kd8MLY2vMY5yxABwRUz0Z7dkbeSLyaZ0y0rBWKBUo15mSFMGsw8PTtGosvxE1414qKxN2pGehLBFr+pnVZbx8OZsrPXbkrWxy/t+s7a+IxSPz//2QzWKa1V1lOFtyhswFXf/iJ2LP+8rcwvIJbXomzKW/waWEV03ETf908JYBIsIunqSqtHR98xbg+dWbMFdz60OtIvPdMavQWTNti6MH9WCpoylTK/s7uu/rBvDAIHfU6oHtdz6JHy/tCXOQxZ9WWd3JyJPihyMBdJNpK66RtF1E3hTiCgpQQqLXiWOKr1MYtG35krB2Lh2cOTvQaV9pfRK/blti9ChmO4xjjgDQ2wrD37KwVggTuhtP3hu+UIfnXUT+H1JHYwFShUnA/v6cwcHq5iKnaHs2VuzrQuTRre6MR5FemWX4jzVwAj9IIJbB0lFJQlpLPqZgt+3WuU60tRY50IluqmSllLQEUjFpGTH5XPWystkVJ3vmCHx6YNi1k2US67kugnXOlLFapKUQMhY5MdRxDEVcaQp3sWtZx6MtQLBWP33npMseiI+YEp/LvH3JY2PHlBPdO7n1ktBeTGArLLoJ41uhW2Rcs5Yed7camGEfhDh156pYlEkP6iU4EF94HMnBfY77aDyB7+JWnPrhcGaeJefOk05QQR/aK2A5V3Zd6Gz6KOyeVRrdHPLitz3LydiRGt8rZvWnO3va0e0I5B1Ix1UOcuSoqiZjG0RvnfBkZj3tff72V5JiLt/xFPKwVix7VFZN00Zy7fobUtMr0xm0UeNjFXBayb1SeMpVMFYzo6uPA4aNwwZm/Duzh789IkVgfW1CsYaoR9ERLlu/G1SHpNbU2nLqVpE+Nknji0N1KmgHOv5RwdLKx07aSRuOq0T6gAAIABJREFU+vDhoe0yfnql6LpJf4t/8X3T8ew1Z+DbHzkCh+xbKiMgzhIVadEr1EK1ubydn3EUQ0vW9juwaItePH91grFEhFFDcmgb1pRKFNOkh+dF141FAbdTVCkJ10dfKvnBXTeiCH/vgiMD+8gduXztx08N1kISyYquG2lKSzEYK5Y1mDCqBRfOmuhW61T4/bvKqDqaBCP0gwh+q6UZ0HLZSVMweYzePTLayxc+cdqYRMcTSzIMacrguCn6B6Vc9MPUw+mVcXn0Ks4/en9MHN2Kjx8/CYfuV6roKYqM7PMWfceq5llEuOFDM3D12QcLy+RtvP0jwrGH7DsMl5w4xX9rierU+fdERGEfvaLLT5JHH2yvertZU0djTCjPPIXrxhNGxhBKr1TVcwLc7yFjixa95bpupGDskROD1VObAhZ9+N6KSnfl91ah6AQKANpi1g1jgQFXB7QNRVPG1pYNN64bQyz8YVI9/LpH95vnHYanrz5De8x9hjXj6atPx9c/OEO7jcjnvfo31QrGqvbUCYxcphiIDlbqEEX70P1ci37S6GBnKGfzLL1ptv+3Tug/dfJU//uR26n6rOKXF8/EiNas786Iur5Sx5HMovfr+Sf8ynStvfacQ0LnSzPgjs8N6088IhxLV+6Yu+1UWTei+0S+dwKuGyvcxUYFx0sWfXBeApsQcN2IljvvOHQvhD01suhNeuUgpIouegDqssg6rj77EFx99iH+53KDwFFWre765DLFQLqsG45YMGzCqBZcffbBoVRMsTCajKrtpfTG0jpZdJKkpMqzaEV1DuLxw3n0YeHlx6rUoreIQu2Ki+WL184t4NJUgqV1OY1C8g7Az7rxfPuOE3TdhITeDvro5a8zaqQy72TzRSdwjkyERc87Dl2Kaq1cN0boByFRD2q9JiOuFry5LVk79rW2VKZYXJZe6JsDbhjCFWeExzAksaSDxwxvLwfNk3TQcinhKB+9Ko+eo7oLSm63ZN+ZbjNLsGh5XZ0RKUZKi3n0NkGy6NWuGy7wTXLWjeS6kb+uXJzrRmPRP7pkk3+sfNEJjGUQff1F2aL3Og5dwoRx3RhiiQrG+gNl6tgekUr7l7996RT/b511KE8ODqRz3XC/cpJpDMURtTIqoRQrfN5xSTse+8qpIdHx2y0tf+nf3+f/7Vv0JO2jgDeDqPRmw982VL9HacYw7SED6DoEQskKP37aGNzwoRn41vnh4HlwnxJ9hVLWjWVRoDMTB0WJ5Hyhl4Ox0a6bpkyMRa/poD7z2/n+ffjksg6s216aG0AMxjpOcLDVx2dNUraDY4TeEAsPsKnvoSr7cxJS7llLIzjd/6eMHYL3H7qPt0yt9FwERWFI47r58xUn4+efODaRC+UfZk7QrlPtPkoQ+jNnjMOB+wwLvb7rHv6hTRlhSsigRZ/YdeNtx+8R1TfIv9ako5p1pyYS3UDAp06eihGtyS36gOtGCsY2ZSylO4ULvJheaVmuUSAOHJa/L3ESeoso9ONFuW7E+/Clt7cFziHm0fPr+dknjsUkL/FB97vJ8xVXCyP0gwj/QVXIK7d2VRUT60Ha6pWqx8CflFyzT5qiZiomjm7FOUfsF78hgLZhTXjoy6co16mEcpRC6OTtfAtc2o7ngwPCWwsPxibIowco9D2o0mVLWVvaQ0rtdTfcRzEZjv9yUoYbqE8Mxkr+/qaMjZGK75ILvBiMtRUWvdwc8ftz3wKC66OCsbo3S7Fmv+i6keMBKoxFb4iF33eqe+iI8SNw7TmH4EcfPTq8soaUG4xVHsv7X2fRK103ZfjokyLm2IuorlllGcpxRa0rhErCLAdhdWl67vFK+4eCfxH9bvJgrPu/POuZGIwtJzGAF/YqOggHYzMWbv7w4aGJ7HOSj96y3OJre3oKgRrvoWwgqROQjaSoImq6AmRippDDBKEP5OyH9xuSs41Fb4iHC6DOGv7saQeEHsp6UY0YcFxhNpVFX04wtlKUo2AViidvp8vEsIlw/YcOQ862/LTOJMFY0Zq2ZR+9Qun9CTgSW+H8rcKSloujcqOP9czVZwRiEIA71y/ASyBIwdiMheOnjcHDV50a2Edl0TuMYf472/HIkk3+dvK1yRk58tepK4oHADu788rlGcsKTDyiFHrFdzykKdO/I2OJaDYRLSOiFUR0rWL9ZUTUQUQLvH+fFtZdSkTLvX+XVrPxhiBRFn1/UW4VS44oSPxQUa/MQOV59JWSOJgpbSgGT4PHI1x8wmS8dfM5Jd88JfHRe8dTtImP7zn3yP1w7pGuu4p/rUndbFw0sxbhN/80K7C8FEuIPsakMa2hwHZvoTQyVi6BoMujL/noS7EMlWhGCb1thUsgWJb+edIJvVi90nEYeothoVd1/L+8eCbuF8qIVJPYp4CIbAC3ATgHwAwAFxGRavTM7xljR3v/7vT2HQ3gBgDHA5gF4AYiCs94YKgO/j3bQEpfJrpBR4BeiHj8IWlNmlqRdCJ0+VnXdYpRBdEiSyAEvgf3Uf/HdjeIzL/DDx6xH2Z4g8K44ModqW6+V97crG0F5qQloX2JffTCd8ZdIqo8+ibNyNicZNHbmhIDoQ5PSr0MxU1AWqv+J48tVy6XZ5hK6qNvzWUqLsKnI0lkbhaAFYyxVQBARPcCOB/JJvk+G8CjjLFt3r6PApgN4J7ymmuIohEtek5azw2vhBkIjkZY9JedNAUneGUayg3GlsPdnznedzVwxO9/3PAmbSpmOXXdOVYiiz4o9Iv/42x/jICYYfPZ0w7A0RNH4mRPrIc3ZzBxdAsO3Xc4HlmyCTnbihRNeXpBEjJlyrnC3ohgrC6vXc6jty3yjxNsc7TrRm4vT01N4zrX5dE3BXz0qs47+TnSkkToxwNYK3xeB9dCl7mAiE4F8BaAqxhjazX7jpd3JKLLAVwOAJMmTUrWckOIKB99f5PWR3/gPsOw+pZzA8tKPvrwwU6ZPlbpt65lMBYATjpgbGiZqCXP/dt7tVZaJW4tfsgkRc34acSpCx1WWmdb5Is84Prcn73mvfjLgvWu0GcsQFGCnrc/a1uBawmmVya8RmEz3nEWHbcEAu+cPnH8pMB5zjtqf8xZ+C6AkqUv+uiVQi99X4WQjz64XjXKNw6x49MFY1XfS6Vuziiq1Yf8FcAUxtiRAB4F8Js0OzPGbmeMtTPG2tvayi9tu7dzqlcWOM0oxFpTm6yb8DrxwVG5LOpJ8I1C/wXoBCSJ66eURx9fRTPqeFFn4vvryg7o3ip4+QH374gTaOCuG8bc62zO2lj0zbPwLali6a0XHo0rvVHLpRIIruBbFqFX6aMPfg64bhT+eKLwPaT7Pjhi1k3RKY0LiMu6SVOMMC1JnoL1ACYKnyd4y3wYY1sZY7zPvxPAzKT7GqrHNz44A89ecwbGDO2fzJpawx9SpY9eeEaCwdj+8NELf0c8vHFvOUeMH6FdVypqlsx1ozh7bPv496jz0fNTy3EQQikIm9xHX0J23QDeFIuhcQelqpyqomYqi17ulMTSBSqLnhD+jn/+yWMjryUjTH+YJo++lrdqEqGfB2A6EU0lohyACwHMETcgInGUyXkAlnp/PwzgLCIa5QVhz/KWGWpA1rYwcXTyGZnqSdoBUyr4gy5PzwboC3iVU4++UpJaZrpp4/ju155zSMh9xfHz6KMmQJFcNyK+6yaifb5Fn7Fw2P7DMUtTclq2eEV3RzlGqph1EzeJDv+t5aJmNlHALSO2TUSsFU8UzrpRWfSjh+RwyYnhiW/Ec/gjkbV59Cqhr53Sx/roGWMFIroSrkDbAO5ijC0mohsBzGeMzQHwRSI6D0ABwDYAl3n7biOim+B2FgBwIw/MGvYOkmagJGGaNzGHaiyAeJZKi5pVStLntVMT4fvCe6fjtTU7cHiERc9FIUocogKifjwnoq1ci3K2hQe/GB4FzIVUDniLefTliFdvvuiPZo0LWPOOQPbR61xa8uHEYGxvvhh4a9hvRDMO2Xd4SJSztoWD9w0O2BIRa930Fhzs7i0E2gYkH2tRLRKNh2eMzQUwV1p2vfD3dQCu0+x7F4C7KmijwQAA+PwZB+KoiSP9WMQDnzsRF/z8BQARFn0/5NEndVd09aot+hMPGBOob6/Ct5gjtom6dK5vUULMz5HVuG74rEoh1w0la5+O3oLjV5yMeyGzfaGXqldqOni54xBdN519Bf9+aRvWhBeue5/yWKqZqETEEghf/v0Cf3nAdaO06LWHrBgzMtZQH6owMta2yBd5AJg5ueRKEJ870QKLmnquv+nUuG6SIJYYeP+h++Ajx4SS2UoWvUKUkgy58K1ljdoWPB+aLIQUCMbqT/DCde/1/+b1/sePbEFvoehb2nFWLl9dEno78rxR6ZWdvcXAIDCO7KPP2hT5ptGasxVvARQcqaz00fdvMNZgKBt+79aqPLLKDy2/fvcHJ0yLn0Kxs7f84e7igKQ7Lz0OP/5YuIZRlHBM8aooilU1ZfjeumAst4bltyaLSgItrjrtoDbsK4wp2G9Ei//3ZSdNwevfPAvT2oagt+CUavvEuW64j15Rj165vRyMFQI+LVnbv4/E2Id8fXyawtLn4DGbs3ao3XKmjqrvrOX4FzPxiGFAQ3A7EV0soFkzUUWt+d2nTwhYiyoqsugTDEiKMob//QOH4vSD23D0xJHabbhrRif0PJAZzroRLd7Sut/80yz0Foo4+OsPhY5FRBjWnEVTxsZra3b45QXirFw5M0gcMJWEQpHhzBnj8IEj9sX5R43HI0s2AgiKu3x94shXfi7xt27J2SG3mfwdqrNu+tlHbzA0KkQEMFZT/2Y5yHOdquiqwKL3LdPIYKp+ZXPWxnsPGRd5Dj//W+u68Sz6UNZN0LUkEmehN2Us7Okt4JJfvezuH5d1IwVjR7Rmcdj+w3FIRLBUpOgw5GwLHzmGzy9AgeMC4esTg62AK/x9wvrmTNh1Iwu9cmSscd0YBir81q3VFIa+3diIdR9iOOuwaKGNwvZ1PkHWTZlfjSotUISX/83KoiW6bhQjTaPY2ukOx1m+eQ+A0nXqoJDrxsaDXzwFJwkjff/w2RMD+4gTtBccJ9CZ+GUdJItdJGNZkf72lpzCddPPFr0RekNNqbX+8uPLWjN17BB85cyDanvyCrn+gzPw6jfOLGvfSvLUkxIn9Ny1E7boqdQRyX1ATHvXbusOfI57K+KCqmsjABwn5f9fM/sQfO0DhwJwr0EUdS7gUYXx+KQmfhuk9S1ZO/QmIr8Vqd5UqJ9r3RgMDQt5XnpZQJ7819P7ozmpyNgWRg/RB0Oj4EIRJYPRU0vG0+f74DUWvSbrxiLSWvRxb17rd7hCn7HcAU/xrhv3f1VVy19/6jis3tKp3I83I190guUzuEUvXLOcky8XcZMDv6pgrPwd1jvrxgi9oS7UyHPjK91AdN1wfvaJY7HSc1UkxU7hlil30BovdPYPM8Opm4CQRy8PmErZPpEf/uNR+OofFpby6JNm3Sjq1J9x8D7AwdHncwunlT7z04niLbumMpYV6IDktw43GBvtslLXuoluayUY142hppRmNKr1eQYuHzhiP3zhfdNT7eOXpK7hlU8dOwSrbzk3MF5B5MLjJqI1Z+OcI/YNLA+UQEjZvgtmTsCn3zPVNwySB2PTSRk3DPIOC1jsKtfNUVJmUkbKow/56LPhYKyM8dEbDCngj0YtH5JGpFRPPn6bWjF93DAsuXE2JoyS6isFgrHpjztKcGclteijfPTq/dz/C0UnaNF7/4sW/ZVnHIi/Xvke/3PGokD6pNwZtShcN/JPUe9aN0boDQOaqMJdg5k0/vd6fzcWlQQ6ZiiBEnEQV5xlfPj4EZg1ZTQmyp2NxJETgnWD+FEdFuxMeHPF81oW4YgJI/DTi47B0RNHBiZWUbWxOWfFTqFY7+qVxkdvqCn+yNgaWZfcNbC3WvRRTiseJB1b57LVRIRjJ4/E/7z4DsYMTR9sFudTiHPdHLjPUNwnpU+quO9fTkSXUEQukB4pqLLjF2oLn/dDR+2PDx21v7ePGMCNt+hlkkwWX02M0BtqCn+ganUP72X67pNk2sgJo1rx3QuOiB0YVW0sAj5yzAQcN2V0WZ2MmMVTrUFEzVk7MEo6WMKg9LduEJiMKMpyC5sT+OhV12VKIBgGLB+fNQnLN+3GF1MGG5Oyt/rokXDayI8dV/+pOflbVsh3n5BAoLNGzmXRoheta39sQIpgqnzrqdJR5QGDKtdOLTPHjNAbakpLzsYtFxxZs+PX+o2hUWnkieArbVOUW6RaiEcVRZ1X5IzPmhH/Tt/GWpY7UJGovySi2US0jIhWENG1EdtdQESMiNq9z1OIqJuIFnj/flGthhsMwN5r0ftZNw2YWFrpTxGVo14tAq4b4UMxwkcvouqMjp00Ejeef1ii89fqunTEWvREZAO4DcCZANYBmEdEcxhjS6TthgH4EoCXpEOsZIyFa6gaDNVgb826STBDVH9RaacrCm/tLHqN64bPbBWTNiPuw5t47KRRuOTEKcnO34AW/SwAKxhjqxhjfQDuBXC+YrubAHwXQE8V22cwRFKy6Pu1GXWnNGCq8ai0TXJqYy3QlTBIatEHffRe5leKttbbok8i9OMBrBU+r/OW+RDRsQAmMsYeVOw/lYheI6KniSg88aTBUAEly6gRJa92lAZMNd51V2zRi66bWln0JP6tsOhjymYG3zrCx4xDvq6bErp8yqXiYCwRWQB+BG9CcIkNACYxxrYS0UwAfyaiwxhju6RjXA7gcgCYNKn+WQKGgYuueqWh/6g8GFv6u1ZT/oqum05h7l7uEtPV4Pf3VwRj03Rw8nVdnNDlUy5Jvsb1ACYKnyd4yzjDABwO4CkiWg3gBABziKidMdbLGNsKAIyxVwCsBBCqHcsYu50x1s4Ya29ra5NXGwxafHu+AS3bWlLr2kGVUOlvoZvovaoIh93elff//seZE3HRrIm46v3RJa5thY8+ytiQBww2XDAWwDwA04loKlyBvxDAx/lKxthOAH6VfyJ6CsC/MsbmE1EbgG2MsSIRTQMwHcCqKrbfsJfj+0f3Lp3H+JHufKvT2ob0c0vSc9GsiZix33DtenmavlogdiY7ukrzQ7XkbHzn/8WnAweFXm3Rt2RtdOfd0bj/Iblm6p1eGSv0jLECEV0J4GEANoC7GGOLiehGAPMZY3Midj8VwI1ElAfgAPgsY2xbNRpuMACCRb+X+ejPPmwc7vnMCYkmIW804oS0HsFY8ajbu/q02+kI5tF7x5TEe0RLFt35Iv77U8fhhGljgvsLB7j94pmpz5+WRD56xthcAHOlZddrtj1d+PsBAA9U0D6DIZK9tagZEeHEA8bEbzgAqXcwdvZh++o31JCkKNmIliw27upRjpQV9z+rjPOnxVSvNAxw9s6RsYOZYAmE2vywPI3yg0fuh0tPmpJ6/yT15HlxNtUVNOTIWIOhUSkFwvpf6aeOHXj+8kbEUow6rTa93ny4w1uyZQWP1fXkg5+Ht7gOk91CVo+/bZ2V19S6MQxoSlk3/doMAMDDXz7VtxQN5VMPi77HC5KmnZmKo5zcW7oJj5k0Co8t3YzhzdnQto2YdWMwNCy+j74BgrFpZzkyqAlm3dTmHNyiV00qngRRp/1pDyWh/9xpB+C4KaMxa2o4YG5cNwZDGbCGziw3pKEe1St7PYu+WTGpeBJUQi0b6ZZFSpHn6+qJEXrDgMaffNzo/KChHnn0PZ5FL05GkgaVXz/VyFhj0RsMyfGnKuzfZhiqiCiCtbboy/XRqzqgSmrd1Boj9IYBDX9c5Bl8DAOXTB0GTPXkK/PRqyYUT5O9U++sGyP0hgENf7iMzg8erDoMmDp5ulu15cgJI8ranxTKmaZPMlk3BkMKWnLlWWSGxiVYAqE25zjvqP1x+sFtytTHJIgdUGlOhMb10RuhNwxo7rr0OPzptfWYMKqlv5tiqBKBPPoaCmK5Ig8kGzCVdv9aYoTeMKCZNKYVX3r/9P5uhqGKiFZ8vQUxKWL/U5aP3gRjDQbD3kxGUPp655snRZ1Hn0boq9maeIxFbzAYGgpRBOudhpiUJNUroyAiHDVxJP7p5CnVa1QERugNBkNDQXWodVMpqjeNtO6Yv1xxcrWaE0si1w0RzSaiZUS0goiujdjuAiJiRNQuLLvO228ZEZ1djUYbDIa9g0aoShqLl9vbyE2NFXoisgHcBuAcADMAXEREMxTbDQPwJQAvCctmwJ168DAAswH8zDuewWAYZLRPHlX1YzaqRa+ikTulJK6bWQBWMMZWAQAR3QvgfABLpO1uAvBdAFcLy84HcC9jrBfA20S0wjveC5U23GAwNBb3Xn4CilUeuTaAdL7uo13TkKRp4wGsFT6v85b5ENGxACYyxh5Mu6/BYBgcZGyr7JICOsqZFKS/aGSLvuI+iIgsAD8C8NUKjnE5Ec0novkdHR2VNslgMBjqRjl59PUmidCvBzBR+DzBW8YZBuBwAE8R0WoAJwCY4wVk4/YFADDGbmeMtTPG2tva2tJdgcFgMDQAjexmSiL08wBMJ6KpRJSDG1ydw1cyxnYyxsYyxqYwxqYAeBHAeYyx+d52FxJRExFNBTAdwMtVvwqDwWDoZxrZdRMbjGWMFYjoSgAPA7AB3MUYW0xENwKYzxibE7HvYiK6D27gtgDgCsZYsUptNxgMhn6nNJVg/7YjikQDphhjcwHMlZZdr9n2dOnzzQBuLrN9BoPBMEBoXKVv4IQgg8FgGDg0skVvhN5gMBgqgLvmG9lHb4TeYDAYKsD30TewmjZw0wwGg2HgMNDz6A0Gg8EQg3HdGAwGwyDjns+cgEeuOtX/3MjBWFOP3mAwGMrgxAPGAACYVwTBWPQGg8EwyGlgnTdCbzAYDNXAWPQGg8EwyDFCbzAYDIOUgVDrxgi9wWAwVIFGzqM3WTcGg6HhOGriSGzZ3dvfzUhFI1v0RugNBkPD8ZcrTu7vJqTG+OgNBoNhkFLy0RuhNxgMhkFNA+t8MqEnotlEtIyIVhDRtYr1nyWi14loARE9R0QzvOVTiKjbW76AiH5R7QswGAyG/qSRBZ4T66MnIhvAbQDOBLAOwDwimsMYWyJsdjdj7Bfe9ucB+BGA2d66lYyxo6vbbIPBYDAkJYlFPwvACsbYKsZYH4B7AZwvbsAY2yV8HAJ4xR8MBoNhkMMGgNolEfrxANYKn9d5ywIQ0RVEtBLA9wB8UVg1lYheI6KniegU1QmI6HIimk9E8zs6OlI032AwGAxxVC0Yyxi7jTF2AIB/A/B1b/EGAJMYY8cA+AqAu4louGLf2xlj7Yyx9ra2tmo1yWAwGAxIJvTrAUwUPk/wlum4F8CHAYAx1ssY2+r9/QqAlQAOKq+pBoPB0HgMAM9NIqGfB2A6EU0lohyACwHMETcgounCx3MBLPeWt3nBXBDRNADTAayqRsMNBoOhkWjk7JvYrBvGWIGIrgTwMAAbwF2MscVEdCOA+YyxOQCuJKL3A8gD2A7gUm/3UwHcSER5AA6AzzLGttXiQgwGg8GgJlEJBMbYXABzpWXXC39/SbPfAwAeqKSBBoPBYKgMMzLWYDAYKoANgPxKI/QGg8FQBQiN66Q3Qm8wGAyDHCP0BoPBUAEtORsAYDWwmpp69AaDwVABt338WPx+3locPG5YfzdFixF6g8FgqID9R7bgqjMbexxoA79sGAwGg6EaGKE3GAyGQY4ReoPBYBjkGKE3GAyGQY4ReoPBYBjkGKE3GAyGQY4ReoPBYBjkGKE3GAyGQQ41WuU1IuoA8E4FhxgLYEuVmjNQMNe8d2Cuee+g3GuezBhTzsXacEJfKUQ0nzHW3t/tqCfmmvcOzDXvHdTimo3rxmAwGAY5RugNBoNhkDMYhf72/m5AP2Cuee/AXPPeQdWvedD56A0Gg8EQZDBa9AaDwWAQGDRCT0SziWgZEa0gomv7uz3VgojuIqLNRPSGsGw0ET1KRMu9/0d5y4no/7d3PqFxVVEY/320tvUfFquWYAqxGJAsNIpoil3UglKLuOrCIthFoBsXFQRpEASXbqwKIi4EN6IiKpZsak27brU2bVNjNYWAhtqAtHUntn4u3pnwCLpJ5uUxN+cHl7nn3Ls435s7Z+479w2jd+ManJX0SHuRLx1JWyQdl/SjpPOSDoS/WN2SNkg6KelMaH4j/PdJOhHaPpO0Lvzrw56J8YE2418OktZIOi1pPOyiNUualXRO0qSk78PX6NouItFLWgO8BzwDDAF7JQ21G1XX+AjYtch3EJiwPQhMhA2V/sFo+4H3VyjGbnMdeMX2EDACvBTvZ8m6/wJ22n4IGAZ2SRoB3gQO2b4fuAKMxvxR4Er4D8W8XuUAMF2zV4PmJ20P1x6jbHZt2+75BmwDjtTsMWCs7bi6qG8AmKrZF4C+6PcBF6L/AbD3v+b1cgO+Bp5aLbqBW4AfgMepfjizNvwL6xw4AmyL/tqYp7ZjX4LW/khsO4FxQKtA8yxw1yJfo2u7iB09cC/wa83+LXylstn2pej/DmyOfnHXIW7PHwZOULjuKGFMAvPAUeAicNX29ZhS17WgOcavAZtWNuKu8DbwKvBP2JsoX7OBbySdkrQ/fI2u7fzP2B7HtiUV+eiUpNuAL4CXbf8paWGsRN22bwDDkjYCXwEPtBxSo0h6Fpi3fUrSjrbjWUG2256TdA9wVNJP9cEm1nYpO/o5YEvN7g9fqVyW1AcQr/PhL+Y6SLqJKsl/bPvLcBevG8D2VeA4Vdlio6TOhqyua0FzjN8B/LHCoS6XJ4DnJM0Cn1KVb96hbM3YnovXeaov9MdoeG2Xkui/AwbjtH4d8DxwuOWYmuQwsC/6+6hq2B3/i3FSPwJcq90O9gyqtu4fAtO236oNFatb0t2xk0fSzVRnEtNUCX9PTFusuXMt9gDHHEXcXsH2mO1+2wNUn9ljtl+gYM2SbpV0e6cPPA1M0fTabvtgoosHHLsD7R+JAAAAq0lEQVSBn6nqmq+1HU8XdX0CXAL+pqrPjVLVJSeAX4BvgTtjrqieProInAMebTv+JWreTlXHPAtMRttdsm7gQeB0aJ4CXg//VuAkMAN8DqwP/4awZ2J8a9salql/BzBeuubQdiba+U6uanpt5y9jkyRJCqeU0k2SJEnyP2SiT5IkKZxM9EmSJIWTiT5JkqRwMtEnSZIUTib6JEmSwslEnyRJUjiZ6JMkSQrnX9dHeE2M9RoxAAAAAElFTkSuQmCC
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diff --git a/docs/_tutorials/train_simple_cartesian_reduction.html b/docs/_tutorials/train_simple_cartesian_reduction.html
index 20c02645..c42bdb07 100644
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+++ b/docs/_tutorials/train_simple_cartesian_reduction.html
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-
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-
-[data-jp-theme-scrollbars='true']
-  .CodeMirror-vscrollbar::-webkit-scrollbar-track:vertical {
-  border-top: var(--jp-scrollbar-endpad) solid transparent;
-  border-bottom: var(--jp-scrollbar-endpad) solid transparent;
-}
-
 /* tiny scrollbar */
 
 .jp-scrollbar-tiny::-webkit-scrollbar,
@@ -176,17 +105,17 @@
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:horizontal {
-  border-left: 0px solid transparent;
-  border-right: 0px solid transparent;
+  border-left: 0 solid transparent;
+  border-right: 0 solid transparent;
 }
 
 .jp-scrollbar-tiny::-webkit-scrollbar-track:vertical {
-  border-top: 0px solid transparent;
-  border-bottom: 0px solid transparent;
+  border-top: 0 solid transparent;
+  border-bottom: 0 solid transparent;
 }
 
 /*
- * Phosphor
+ * Lumino
  */
 
 .lm-ScrollBar[data-orientation='horizontal'] {
@@ -274,6 +203,11 @@
   background-size: 17px;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -283,21 +217,33 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Widget, /* </DEPRECATED> */
 .lm-Widget {
   box-sizing: border-box;
   position: relative;
   overflow: hidden;
-  cursor: default;
 }
 
-
-/* <DEPRECATED> */ .p-Widget.p-mod-hidden, /* </DEPRECATED> */
 .lm-Widget.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.lm-AccordionPanel[data-orientation='horizontal'] > .lm-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -307,8 +253,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-CommandPalette, /* </DEPRECATED> */
 .lm-CommandPalette {
   display: flex;
   flex-direction: column;
@@ -318,14 +262,10 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-search, /* </DEPRECATED> */
 .lm-CommandPalette-search {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-content, /* </DEPRECATED> */
 .lm-CommandPalette-content {
   flex: 1 1 auto;
   margin: 0;
@@ -335,42 +275,30 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-header, /* </DEPRECATED> */
 .lm-CommandPalette-header {
   overflow: hidden;
   white-space: nowrap;
   text-overflow: ellipsis;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-item, /* </DEPRECATED> */
 .lm-CommandPalette-item {
   display: flex;
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemIcon, /* </DEPRECATED> */
 .lm-CommandPalette-itemIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemContent, /* </DEPRECATED> */
 .lm-CommandPalette-itemContent {
   flex: 1 1 auto;
   overflow: hidden;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemShortcut, /* </DEPRECATED> */
 .lm-CommandPalette-itemShortcut {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-CommandPalette-itemLabel, /* </DEPRECATED> */
 .lm-CommandPalette-itemLabel {
   overflow: hidden;
   white-space: nowrap;
@@ -378,32 +306,37 @@
 }
 
 .lm-close-icon {
-	border:1px solid transparent;
+  border: 1px solid transparent;
   background-color: transparent;
   position: absolute;
-	z-index:1;
-	right:3%;
-	top: 0;
-	bottom: 0;
-	margin: auto;
-	padding: 7px 0;
-	display: none;
-	vertical-align: middle;
+  z-index: 1;
+  right: 3%;
+  top: 0;
+  bottom: 0;
+  margin: auto;
+  padding: 7px 0;
+  display: none;
+  vertical-align: middle;
   outline: 0;
   cursor: pointer;
 }
 .lm-close-icon:after {
-	content: "X";
-	display: block;
-	width: 15px;
-	height: 15px;
-	text-align: center;
-	color:#000;
-	font-weight: normal;
-	font-size: 12px;
-	cursor: pointer;
+  content: 'X';
+  display: block;
+  width: 15px;
+  height: 15px;
+  text-align: center;
+  color: #000;
+  font-weight: normal;
+  font-size: 12px;
+  cursor: pointer;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -413,38 +346,26 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-DockPanel, /* </DEPRECATED> */
 .lm-DockPanel {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-widget, /* </DEPRECATED> */
 .lm-DockPanel-widget {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-tabBar, /* </DEPRECATED> */
 .lm-DockPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle, /* </DEPRECATED> */
 .lm-DockPanel-handle {
   z-index: 2;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-handle:after, /* </DEPRECATED> */
 .lm-DockPanel-handle:after {
   position: absolute;
   top: 0;
@@ -454,56 +375,41 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal'] {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical'] {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='horizontal']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='horizontal']:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-DockPanel-handle[data-orientation='vertical']:after,
-/* </DEPRECATED> */
 .lm-DockPanel-handle[data-orientation='vertical']:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay, /* </DEPRECATED> */
 .lm-DockPanel-overlay {
   z-index: 3;
   box-sizing: border-box;
   pointer-events: none;
 }
 
-
-/* <DEPRECATED> */ .p-DockPanel-overlay.p-mod-hidden, /* </DEPRECATED> */
 .lm-DockPanel-overlay.lm-mod-hidden {
   display: none !important;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -513,8 +419,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-Menu, /* </DEPRECATED> */
 .lm-Menu {
   z-index: 10000;
   position: absolute;
@@ -528,8 +432,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-content, /* </DEPRECATED> */
 .lm-Menu-content {
   margin: 0;
   padding: 0;
@@ -537,47 +439,36 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-item, /* </DEPRECATED> */
 .lm-Menu-item {
   display: table-row;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-item.p-mod-hidden,
-.p-Menu-item.p-mod-collapsed,
-/* </DEPRECATED> */
 .lm-Menu-item.lm-mod-hidden,
 .lm-Menu-item.lm-mod-collapsed {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */
-.p-Menu-itemIcon,
-.p-Menu-itemSubmenuIcon,
-/* </DEPRECATED> */
 .lm-Menu-itemIcon,
 .lm-Menu-itemSubmenuIcon {
   display: table-cell;
   text-align: center;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemLabel, /* </DEPRECATED> */
 .lm-Menu-itemLabel {
   display: table-cell;
   text-align: left;
 }
 
-
-/* <DEPRECATED> */ .p-Menu-itemShortcut, /* </DEPRECATED> */
 .lm-Menu-itemShortcut {
   display: table-cell;
   text-align: right;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -587,8 +478,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-MenuBar, /* </DEPRECATED> */
 .lm-MenuBar {
   outline: none;
   -webkit-user-select: none;
@@ -597,8 +486,6 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-MenuBar-content, /* </DEPRECATED> */
 .lm-MenuBar-content {
   margin: 0;
   padding: 0;
@@ -607,22 +494,20 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */ .p--MenuBar-item, /* </DEPRECATED> */
 .lm-MenuBar-item {
   box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */
-.p-MenuBar-itemIcon,
-.p-MenuBar-itemLabel,
-/* </DEPRECATED> */
 .lm-MenuBar-itemIcon,
 .lm-MenuBar-itemLabel {
   display: inline-block;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -632,8 +517,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-ScrollBar, /* </DEPRECATED> */
 .lm-ScrollBar {
   display: flex;
   -webkit-user-select: none;
@@ -642,31 +525,19 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='horizontal'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='horizontal'] {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-ScrollBar[data-orientation='vertical'],
-/* </DEPRECATED> */
 .lm-ScrollBar[data-orientation='vertical'] {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-button, /* </DEPRECATED> */
 .lm-ScrollBar-button {
   box-sizing: border-box;
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-track, /* </DEPRECATED> */
 .lm-ScrollBar-track {
   box-sizing: border-box;
   position: relative;
@@ -674,13 +545,16 @@
   flex: 1 1 auto;
 }
 
-
-/* <DEPRECATED> */ .p-ScrollBar-thumb, /* </DEPRECATED> */
 .lm-ScrollBar-thumb {
   box-sizing: border-box;
   position: absolute;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -690,26 +564,18 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-SplitPanel-child, /* </DEPRECATED> */
 .lm-SplitPanel-child {
   z-index: 0;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle, /* </DEPRECATED> */
 .lm-SplitPanel-handle {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle.p-mod-hidden, /* </DEPRECATED> */
 .lm-SplitPanel-handle.lm-mod-hidden {
   display: none !important;
 }
 
-
-/* <DEPRECATED> */ .p-SplitPanel-handle:after, /* </DEPRECATED> */
 .lm-SplitPanel-handle:after {
   position: absolute;
   top: 0;
@@ -719,42 +585,31 @@
   content: '';
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle {
   cursor: ew-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle {
   cursor: ns-resize;
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='horizontal'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='horizontal'] > .lm-SplitPanel-handle:after {
   left: 50%;
   min-width: 8px;
   transform: translateX(-50%);
 }
 
-
-/* <DEPRECATED> */
-.p-SplitPanel[data-orientation='vertical'] > .p-SplitPanel-handle:after,
-/* </DEPRECATED> */
 .lm-SplitPanel[data-orientation='vertical'] > .lm-SplitPanel-handle:after {
   top: 50%;
   min-height: 8px;
   transform: translateY(-50%);
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -764,8 +619,6 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabBar, /* </DEPRECATED> */
 .lm-TabBar {
   display: flex;
   -webkit-user-select: none;
@@ -774,20 +627,16 @@
   user-select: none;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='horizontal'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] {
   flex-direction: row;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar[data-orientation='vertical'], /* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] {
   flex-direction: column;
+  align-items: flex-end;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-content, /* </DEPRECATED> */
 .lm-TabBar-content {
   margin: 0;
   padding: 0;
@@ -796,94 +645,77 @@
   list-style-type: none;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='horizontal'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='horizontal'] > .lm-TabBar-content {
   flex-direction: row;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar[data-orientation='vertical'] > .p-TabBar-content,
-/* </DEPRECATED> */
 .lm-TabBar[data-orientation='vertical'] > .lm-TabBar-content {
   flex-direction: column;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar-tab {
   display: flex;
   flex-direction: row;
   box-sizing: border-box;
   overflow: hidden;
+  touch-action: none; /* Disable native Drag/Drop */
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar-tabIcon,
-.p-TabBar-tabCloseIcon,
-/* </DEPRECATED> */
 .lm-TabBar-tabIcon,
 .lm-TabBar-tabCloseIcon {
   flex: 0 0 auto;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tabLabel, /* </DEPRECATED> */
 .lm-TabBar-tabLabel {
   flex: 1 1 auto;
   overflow: hidden;
   white-space: nowrap;
 }
 
-
 .lm-TabBar-tabInput {
   user-select: all;
   width: 100%;
-  box-sizing : border-box;
+  box-sizing: border-box;
 }
 
-
-/* <DEPRECATED> */ .p-TabBar-tab.p-mod-hidden, /* </DEPRECATED> */
 .lm-TabBar-tab.lm-mod-hidden {
   display: none !important;
 }
 
+.lm-TabBar-addButton.lm-mod-hidden {
+  display: none !important;
+}
 
-/* <DEPRECATED> */ .p-TabBar.p-mod-dragging .p-TabBar-tab, /* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab {
   position: relative;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='horizontal'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='horizontal'] .lm-TabBar-tab {
   left: 0;
   transition: left 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging[data-orientation='vertical'] .p-TabBar-tab,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging[data-orientation='vertical'] .lm-TabBar-tab {
   top: 0;
   transition: top 150ms ease;
 }
 
-
-/* <DEPRECATED> */
-.p-TabBar.p-mod-dragging .p-TabBar-tab.p-mod-dragging,
-/* </DEPRECATED> */
 .lm-TabBar.lm-mod-dragging .lm-TabBar-tab.lm-mod-dragging {
   transition: none;
 }
 
+.lm-TabBar-tabLabel .lm-TabBar-tabInput {
+  user-select: all;
+  width: 100%;
+  box-sizing: border-box;
+  background: inherit;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -893,18 +725,19 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-
-/* <DEPRECATED> */ .p-TabPanel-tabBar, /* </DEPRECATED> */
 .lm-TabPanel-tabBar {
   z-index: 1;
 }
 
-
-/* <DEPRECATED> */ .p-TabPanel-stackedPanel, /* </DEPRECATED> */
 .lm-TabPanel-stackedPanel {
   z-index: 0;
 }
 
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Copyright (c) 2014-2017, PhosphorJS Contributors
@@ -914,10242 +747,3020 @@
 | The full license is in the file LICENSE, distributed with this software.
 |----------------------------------------------------------------------------*/
 
-@charset "UTF-8";
-html{
-  -webkit-box-sizing:border-box;
-          box-sizing:border-box; }
-
-*,
-*::before,
-*::after{
-  -webkit-box-sizing:inherit;
-          box-sizing:inherit; }
-
-body{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none;
-  color:#182026;
-  font-family:-apple-system, "BlinkMacSystemFont", "Segoe UI", "Roboto", "Oxygen", "Ubuntu", "Cantarell", "Open Sans", "Helvetica Neue", "Icons16", sans-serif; }
-
-p{
-  margin-bottom:10px;
-  margin-top:0; }
-
-small{
-  font-size:12px; }
-
-strong{
-  font-weight:600; }
-
-::-moz-selection{
-  background:rgba(125, 188, 255, 0.6); }
-
-::selection{
-  background:rgba(125, 188, 255, 0.6); }
-.bp3-heading{
-  color:#182026;
-  font-weight:600;
-  margin:0 0 10px;
-  padding:0; }
-  .bp3-dark .bp3-heading{
-    color:#f5f8fa; }
-
-h1.bp3-heading, .bp3-running-text h1{
-  font-size:36px;
-  line-height:40px; }
-
-h2.bp3-heading, .bp3-running-text h2{
-  font-size:28px;
-  line-height:32px; }
-
-h3.bp3-heading, .bp3-running-text h3{
-  font-size:22px;
-  line-height:25px; }
-
-h4.bp3-heading, .bp3-running-text h4{
-  font-size:18px;
-  line-height:21px; }
-
-h5.bp3-heading, .bp3-running-text h5{
-  font-size:16px;
-  line-height:19px; }
-
-h6.bp3-heading, .bp3-running-text h6{
-  font-size:14px;
-  line-height:16px; }
-.bp3-ui-text{
-  font-size:14px;
-  font-weight:400;
-  letter-spacing:0;
-  line-height:1.28581;
-  text-transform:none; }
-
-.bp3-monospace-text{
-  font-family:monospace;
-  text-transform:none; }
-
-.bp3-text-muted{
-  color:#5c7080; }
-  .bp3-dark .bp3-text-muted{
-    color:#a7b6c2; }
-
-.bp3-text-disabled{
-  color:rgba(92, 112, 128, 0.6); }
-  .bp3-dark .bp3-text-disabled{
-    color:rgba(167, 182, 194, 0.6); }
-
-.bp3-text-overflow-ellipsis{
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal; }
-.bp3-running-text{
-  font-size:14px;
-  line-height:1.5; }
-  .bp3-running-text h1{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h1{
-      color:#f5f8fa; }
-  .bp3-running-text h2{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h2{
-      color:#f5f8fa; }
-  .bp3-running-text h3{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h3{
-      color:#f5f8fa; }
-  .bp3-running-text h4{
-    color:#182026;
-    font-weight:600;
-    margin-bottom:20px;
-    margin-top:40px; }
-    .bp3-dark .bp3-running-text h4{
-      color:#f5f8fa; }
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-    .bp3-button.bp3-intent-danger:hover, .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      color:#ffffff; }
-    .bp3-button.bp3-intent-danger:hover{
-      background-color:#c23030;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:active, .bp3-button.bp3-intent-danger.bp3-active{
-      background-color:#a82a2a;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-button.bp3-intent-danger:disabled, .bp3-button.bp3-intent-danger.bp3-disabled{
-      background-color:rgba(219, 55, 55, 0.5);
-      background-image:none;
-      border-color:transparent;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.6); }
-  .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-    stroke:#ffffff; }
-  .bp3-button.bp3-large,
-  .bp3-large .bp3-button{
-    min-height:40px;
-    min-width:40px;
-    font-size:16px;
-    padding:5px 15px; }
-    .bp3-button.bp3-large::before,
-    .bp3-button.bp3-large > *,
-    .bp3-large .bp3-button::before,
-    .bp3-large .bp3-button > *{
-      margin-right:10px; }
-    .bp3-button.bp3-large:empty::before,
-    .bp3-button.bp3-large > :last-child,
-    .bp3-large .bp3-button:empty::before,
-    .bp3-large .bp3-button > :last-child{
-      margin-right:0; }
-  .bp3-button.bp3-small,
-  .bp3-small .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    padding:0 7px; }
-  .bp3-button.bp3-loading{
-    position:relative; }
-    .bp3-button.bp3-loading[class*="bp3-icon-"]::before{
-      visibility:hidden; }
-    .bp3-button.bp3-loading .bp3-button-spinner{
-      margin:0;
-      position:absolute; }
-    .bp3-button.bp3-loading > :not(.bp3-button-spinner){
-      visibility:hidden; }
-  .bp3-button[class*="bp3-icon-"]::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    color:#5c7080; }
-  .bp3-button .bp3-icon, .bp3-button .bp3-icon-standard, .bp3-button .bp3-icon-large{
-    color:#5c7080; }
-    .bp3-button .bp3-icon.bp3-align-right, .bp3-button .bp3-icon-standard.bp3-align-right, .bp3-button .bp3-icon-large.bp3-align-right{
-      margin-left:7px; }
-  .bp3-button .bp3-icon:first-child:last-child,
-  .bp3-button .bp3-spinner + .bp3-icon:last-child{
-    margin:0 -7px; }
-  .bp3-dark .bp3-button:not([class*="bp3-intent-"]){
-    background-color:#394b59;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover, .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      color:#f5f8fa; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):hover{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-active{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled{
-      background-color:rgba(57, 75, 89, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-      .bp3-dark .bp3-button:not([class*="bp3-intent-"]):disabled.bp3-active, .bp3-dark .bp3-button:not([class*="bp3-intent-"]).bp3-disabled.bp3-active{
-        background:rgba(57, 75, 89, 0.7); }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-button-spinner .bp3-spinner-head{
-      background:rgba(16, 22, 26, 0.5);
-      stroke:#8a9ba8; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"])[class*="bp3-icon-"]::before{
-      color:#a7b6c2; }
-    .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-standard, .bp3-dark .bp3-button:not([class*="bp3-intent-"]) .bp3-icon-large{
-      color:#a7b6c2; }
-  .bp3-dark .bp3-button[class*="bp3-intent-"]{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:hover{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:active, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-active{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"]:disabled, .bp3-dark .bp3-button[class*="bp3-intent-"].bp3-disabled{
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(255, 255, 255, 0.3); }
-    .bp3-dark .bp3-button[class*="bp3-intent-"] .bp3-button-spinner .bp3-spinner-head{
-      stroke:#8a9ba8; }
-  .bp3-button:disabled::before,
-  .bp3-button:disabled .bp3-icon, .bp3-button:disabled .bp3-icon-standard, .bp3-button:disabled .bp3-icon-large, .bp3-button.bp3-disabled::before,
-  .bp3-button.bp3-disabled .bp3-icon, .bp3-button.bp3-disabled .bp3-icon-standard, .bp3-button.bp3-disabled .bp3-icon-large, .bp3-button[class*="bp3-intent-"]::before,
-  .bp3-button[class*="bp3-intent-"] .bp3-icon, .bp3-button[class*="bp3-intent-"] .bp3-icon-standard, .bp3-button[class*="bp3-intent-"] .bp3-icon-large{
-    color:inherit !important; }
-  .bp3-button.bp3-minimal{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-button.bp3-minimal:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-minimal:active, .bp3-button.bp3-minimal.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-minimal:disabled, .bp3-button.bp3-minimal:disabled:hover, .bp3-button.bp3-minimal.bp3-disabled, .bp3-button.bp3-minimal.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-minimal{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-minimal:hover, .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-minimal:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-minimal:active, .bp3-dark .bp3-button.bp3-minimal.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-minimal:disabled, .bp3-dark .bp3-button.bp3-minimal:disabled:hover, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
-        .bp3-dark .bp3-button.bp3-minimal:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal:disabled:hover.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-disabled:hover.bp3-active{
-          background:rgba(138, 155, 168, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-primary{
-      color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover, .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.15);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#106ba3; }
-      .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(16, 107, 163, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-        stroke:#106ba3; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary{
-        color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:hover{
-          background:rgba(19, 124, 189, 0.2);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-active{
-          background:rgba(19, 124, 189, 0.3);
-          color:#48aff0; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled{
-          background:none;
-          color:rgba(72, 175, 240, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-primary.bp3-disabled.bp3-active{
-            background:rgba(19, 124, 189, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-success{
-      color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover, .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:hover{
-        background:rgba(15, 153, 96, 0.15);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-        background:rgba(15, 153, 96, 0.3);
-        color:#0d8050; }
-      .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-        background:none;
-        color:rgba(13, 128, 80, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-          background:rgba(15, 153, 96, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-success .bp3-button-spinner .bp3-spinner-head{
-        stroke:#0d8050; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success{
-        color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:hover{
-          background:rgba(15, 153, 96, 0.2);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-active{
-          background:rgba(15, 153, 96, 0.3);
-          color:#3dcc91; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled{
-          background:none;
-          color:rgba(61, 204, 145, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-success.bp3-disabled.bp3-active{
-            background:rgba(15, 153, 96, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-warning{
-      color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover, .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-        background:rgba(217, 130, 43, 0.15);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-        background:rgba(217, 130, 43, 0.3);
-        color:#bf7326; }
-      .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-        background:none;
-        color:rgba(191, 115, 38, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-          background:rgba(217, 130, 43, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-warning .bp3-button-spinner .bp3-spinner-head{
-        stroke:#bf7326; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning{
-        color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:hover{
-          background:rgba(217, 130, 43, 0.2);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-active{
-          background:rgba(217, 130, 43, 0.3);
-          color:#ffb366; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled{
-          background:none;
-          color:rgba(255, 179, 102, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-warning.bp3-disabled.bp3-active{
-            background:rgba(217, 130, 43, 0.3); }
-    .bp3-button.bp3-minimal.bp3-intent-danger{
-      color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover, .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-        background:rgba(219, 55, 55, 0.15);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-        background:rgba(219, 55, 55, 0.3);
-        color:#c23030; }
-      .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-        background:none;
-        color:rgba(194, 48, 48, 0.5); }
-        .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-          background:rgba(219, 55, 55, 0.3); }
-      .bp3-button.bp3-minimal.bp3-intent-danger .bp3-button-spinner .bp3-spinner-head{
-        stroke:#c23030; }
-      .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger{
-        color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:hover{
-          background:rgba(219, 55, 55, 0.2);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-active{
-          background:rgba(219, 55, 55, 0.3);
-          color:#ff7373; }
-        .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled{
-          background:none;
-          color:rgba(255, 115, 115, 0.5); }
-          .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger:disabled.bp3-active, .bp3-dark .bp3-button.bp3-minimal.bp3-intent-danger.bp3-disabled.bp3-active{
-            background:rgba(219, 55, 55, 0.3); }
-  .bp3-button.bp3-outlined{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    border:1px solid rgba(24, 32, 38, 0.2);
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box; }
-    .bp3-button.bp3-outlined:hover{
-      background:rgba(167, 182, 194, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026;
-      text-decoration:none; }
-    .bp3-button.bp3-outlined:active, .bp3-button.bp3-outlined.bp3-active{
-      background:rgba(115, 134, 148, 0.3);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#182026; }
-    .bp3-button.bp3-outlined:disabled, .bp3-button.bp3-outlined:disabled:hover, .bp3-button.bp3-outlined.bp3-disabled, .bp3-button.bp3-outlined.bp3-disabled:hover{
-      background:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed; }
-      .bp3-button.bp3-outlined:disabled.bp3-active, .bp3-button.bp3-outlined:disabled:hover.bp3-active, .bp3-button.bp3-outlined.bp3-disabled.bp3-active, .bp3-button.bp3-outlined.bp3-disabled:hover.bp3-active{
-        background:rgba(115, 134, 148, 0.3); }
-    .bp3-dark .bp3-button.bp3-outlined{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:inherit; }
-      .bp3-dark .bp3-button.bp3-outlined:hover, .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:none;
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-      .bp3-dark .bp3-button.bp3-outlined:hover{
-        background:rgba(138, 155, 168, 0.15); }
-      .bp3-dark .bp3-button.bp3-outlined:active, .bp3-dark .bp3-button.bp3-outlined.bp3-active{
-        background:rgba(138, 155, 168, 0.3);
-        color:#f5f8fa; }
-      .bp3-dark .bp3-button.bp3-outlined:disabled, .bp3-dark .bp3-button.bp3-outlined:disabled:hover, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled, .bp3-dark .bp3-button.bp3-outlined.bp3-disabled:hover{
-        background:none;
-        color:rgba(167, 182, 194, 0.6);
-        cursor:not-allowed; }
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-.bp3-button-text{
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-          flex:0 1 auto; }
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-.bp3-button.bp3-align-left .bp3-button-text, .bp3-button.bp3-align-right .bp3-button-text,
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-.bp3-button-group.bp3-align-right .bp3-button-text{
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-.bp3-button-group{
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-        color:#f5f8fa; }
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-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary:active, .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-primary.bp3-active{
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-          color:rgba(72, 175, 240, 0.5); }
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-            background:rgba(19, 124, 189, 0.3); }
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-        color:#0d8050; }
-      .bp3-button-group.bp3-minimal .bp3-button.bp3-intent-success:hover{
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-  .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control input:checked ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control:hover input:checked ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control input:not(:disabled):active:checked ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control input:disabled:checked ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control:not(.bp3-align-right){
-    padding-left:26px; }
-    .bp3-control:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-26px; }
-  .bp3-control.bp3-align-right{
-    padding-right:26px; }
-    .bp3-control.bp3-align-right .bp3-control-indicator{
-      margin-right:-26px; }
-  .bp3-control.bp3-disabled{
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-control.bp3-inline{
-    display:inline-block;
-    margin-right:20px; }
-  .bp3-control input{
-    left:0;
-    opacity:0;
-    position:absolute;
-    top:0;
-    z-index:-1; }
-  .bp3-control .bp3-control-indicator{
-    background-clip:padding-box;
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    border:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    cursor:pointer;
-    display:inline-block;
-    font-size:16px;
-    height:1em;
-    margin-right:10px;
-    margin-top:-3px;
-    position:relative;
-    -webkit-user-select:none;
-       -moz-user-select:none;
-        -ms-user-select:none;
-            user-select:none;
-    vertical-align:middle;
-    width:1em; }
-    .bp3-control .bp3-control-indicator::before{
-      content:"";
-      display:block;
-      height:1em;
-      width:1em; }
-  .bp3-control:hover .bp3-control-indicator{
-    background-color:#ebf1f5; }
-  .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-    background:#d8e1e8;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    cursor:not-allowed; }
-  .bp3-control input:focus ~ .bp3-control-indicator{
-    outline:rgba(19, 124, 189, 0.6) auto 2px;
-    outline-offset:2px;
-    -moz-outline-radius:6px; }
-  .bp3-control.bp3-align-right .bp3-control-indicator{
-    float:right;
-    margin-left:10px;
-    margin-top:1px; }
-  .bp3-control.bp3-large{
-    font-size:16px; }
-    .bp3-control.bp3-large:not(.bp3-align-right){
-      padding-left:30px; }
-      .bp3-control.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-        margin-left:-30px; }
-    .bp3-control.bp3-large.bp3-align-right{
-      padding-right:30px; }
-      .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-        margin-right:-30px; }
-    .bp3-control.bp3-large .bp3-control-indicator{
-      font-size:20px; }
-    .bp3-control.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-top:0; }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    background-color:#137cbd;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.1)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.1), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-    color:#ffffff; }
-  .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 -1px 0 rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background:#0e5a8a;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-dark .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox:hover input:indeterminate ~ .bp3-control-indicator{
-    background-color:#106ba3;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-checkbox input:not(:disabled):active:indeterminate ~ .bp3-control-indicator{
-    background-color:#0e5a8a;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-  .bp3-control.bp3-checkbox .bp3-control-indicator{
-    border-radius:3px; }
-  .bp3-control.bp3-checkbox input:checked ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M12 5c-.28 0-.53.11-.71.29L7 9.59l-2.29-2.3a1.003 1.003 0 00-1.42 1.42l3 3c.18.18.43.29.71.29s.53-.11.71-.29l5-5A1.003 1.003 0 0012 5z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-checkbox input:indeterminate ~ .bp3-control-indicator::before{
-    background-image:url("data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3e%3cpath fill-rule='evenodd' clip-rule='evenodd' d='M11 7H5c-.55 0-1 .45-1 1s.45 1 1 1h6c.55 0 1-.45 1-1s-.45-1-1-1z' fill='white'/%3e%3c/svg%3e"); }
-  .bp3-control.bp3-radio .bp3-control-indicator{
-    border-radius:50%; }
-  .bp3-control.bp3-radio input:checked ~ .bp3-control-indicator::before{
-    background-image:radial-gradient(#ffffff, #ffffff 28%, transparent 32%); }
-  .bp3-control.bp3-radio input:checked:disabled ~ .bp3-control-indicator::before{
-    opacity:0.5; }
-  .bp3-control.bp3-radio input:focus ~ .bp3-control-indicator{
-    -moz-outline-radius:16px; }
-  .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(167, 182, 194, 0.5); }
-  .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(115, 134, 148, 0.5); }
-  .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(92, 112, 128, 0.5); }
-  .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(206, 217, 224, 0.5); }
-    .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(19, 124, 189, 0.5); }
-    .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(255, 255, 255, 0.8); }
-  .bp3-control.bp3-switch:not(.bp3-align-right){
-    padding-left:38px; }
-    .bp3-control.bp3-switch:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-38px; }
-  .bp3-control.bp3-switch.bp3-align-right{
-    padding-right:38px; }
-    .bp3-control.bp3-switch.bp3-align-right .bp3-control-indicator{
-      margin-right:-38px; }
-  .bp3-control.bp3-switch .bp3-control-indicator{
-    border:none;
-    border-radius:1.75em;
-    -webkit-box-shadow:none !important;
-            box-shadow:none !important;
-    min-width:1.75em;
-    -webkit-transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    transition:background-color 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-    width:auto; }
-    .bp3-control.bp3-switch .bp3-control-indicator::before{
-      background:#ffffff;
-      border-radius:50%;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 1px 1px rgba(16, 22, 26, 0.2);
-      height:calc(1em - 4px);
-      left:0;
-      margin:2px;
-      position:absolute;
-      -webkit-transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      transition:left 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-      width:calc(1em - 4px); }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    left:calc(100% - 1em); }
-  .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right){
-    padding-left:45px; }
-    .bp3-control.bp3-switch.bp3-large:not(.bp3-align-right) .bp3-control-indicator{
-      margin-left:-45px; }
-  .bp3-control.bp3-switch.bp3-large.bp3-align-right{
-    padding-right:45px; }
-    .bp3-control.bp3-switch.bp3-large.bp3-align-right .bp3-control-indicator{
-      margin-right:-45px; }
-  .bp3-dark .bp3-control.bp3-switch input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.5); }
-  .bp3-dark .bp3-control.bp3-switch:hover input ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.7); }
-  .bp3-dark .bp3-control.bp3-switch input:not(:disabled):active ~ .bp3-control-indicator{
-    background:rgba(16, 22, 26, 0.9); }
-  .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator{
-    background:rgba(57, 75, 89, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator{
-    background:#137cbd; }
-  .bp3-dark .bp3-control.bp3-switch:hover input:checked ~ .bp3-control-indicator{
-    background:#106ba3; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:not(:disabled):active ~ .bp3-control-indicator{
-    background:#0e5a8a; }
-  .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator{
-    background:rgba(14, 90, 138, 0.5); }
-    .bp3-dark .bp3-control.bp3-switch input:checked:disabled ~ .bp3-control-indicator::before{
-      background:rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch .bp3-control-indicator::before{
-    background:#394b59;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-dark .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator::before{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-  .bp3-control.bp3-switch .bp3-switch-inner-text{
-    font-size:0.7em;
-    text-align:center; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:first-child{
-    line-height:0;
-    margin-left:0.5em;
-    margin-right:1.2em;
-    visibility:hidden; }
-  .bp3-control.bp3-switch .bp3-control-indicator-child:last-child{
-    line-height:1em;
-    margin-left:1.2em;
-    margin-right:0.5em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:first-child{
-    line-height:1em;
-    visibility:visible; }
-  .bp3-control.bp3-switch input:checked ~ .bp3-control-indicator .bp3-control-indicator-child:last-child{
-    line-height:0;
-    visibility:hidden; }
-  .bp3-dark .bp3-control{
-    color:#f5f8fa; }
-    .bp3-dark .bp3-control.bp3-disabled{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-control .bp3-control-indicator{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-control:hover .bp3-control-indicator{
-      background-color:#30404d; }
-    .bp3-dark .bp3-control input:not(:disabled):active ~ .bp3-control-indicator{
-      background:#202b33;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-dark .bp3-control input:disabled ~ .bp3-control-indicator{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      cursor:not-allowed; }
-    .bp3-dark .bp3-control.bp3-checkbox input:disabled:checked ~ .bp3-control-indicator, .bp3-dark .bp3-control.bp3-checkbox input:disabled:indeterminate ~ .bp3-control-indicator{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-file-input{
-  cursor:pointer;
-  display:inline-block;
-  height:30px;
-  position:relative; }
-  .bp3-file-input input{
-    margin:0;
-    min-width:200px;
-    opacity:0; }
-    .bp3-file-input input:disabled + .bp3-file-upload-input,
-    .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-      background:rgba(206, 217, 224, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      resize:none; }
-      .bp3-file-input input:disabled + .bp3-file-upload-input::after,
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-        background-color:rgba(206, 217, 224, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(92, 112, 128, 0.6);
-        cursor:not-allowed;
-        outline:none; }
-        .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active:hover,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active,
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active:hover{
-          background:rgba(206, 217, 224, 0.7); }
-      .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input, .bp3-dark
-      .bp3-file-input input.bp3-disabled + .bp3-file-upload-input{
-        background:rgba(57, 75, 89, 0.5);
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after, .bp3-dark
-        .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after{
-          background-color:rgba(57, 75, 89, 0.5);
-          background-image:none;
-          -webkit-box-shadow:none;
-                  box-shadow:none;
-          color:rgba(167, 182, 194, 0.6); }
-          .bp3-dark .bp3-file-input input:disabled + .bp3-file-upload-input::after.bp3-active, .bp3-dark
-          .bp3-file-input input.bp3-disabled + .bp3-file-upload-input::after.bp3-active{
-            background:rgba(57, 75, 89, 0.7); }
-  .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#182026; }
-  .bp3-dark .bp3-file-input.bp3-file-input-has-selection .bp3-file-upload-input{
-    color:#f5f8fa; }
-  .bp3-file-input.bp3-fill{
-    width:100%; }
-  .bp3-file-input.bp3-large,
-  .bp3-large .bp3-file-input{
-    height:40px; }
-  .bp3-file-input .bp3-file-upload-input-custom-text::after{
-    content:attr(bp3-button-text); }
-
-.bp3-file-upload-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle;
-  overflow:hidden;
-  text-overflow:ellipsis;
-  white-space:nowrap;
-  word-wrap:normal;
-  color:rgba(92, 112, 128, 0.6);
-  left:0;
-  padding-right:80px;
-  position:absolute;
-  right:0;
-  top:0;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-file-upload-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-file-upload-input:focus, .bp3-file-upload-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-file-upload-input[type="search"], .bp3-file-upload-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-file-upload-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-file-upload-input:disabled, .bp3-file-upload-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-file-upload-input::after{
-    background-color:#f5f8fa;
-    background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-    background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-    color:#182026;
-    min-height:24px;
-    min-width:24px;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    border-radius:3px;
-    content:"Browse";
-    line-height:24px;
-    margin:3px;
-    position:absolute;
-    right:0;
-    text-align:center;
-    top:0;
-    width:70px; }
-    .bp3-file-upload-input::after:hover{
-      background-clip:padding-box;
-      background-color:#ebf1f5;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-    .bp3-file-upload-input::after:active, .bp3-file-upload-input::after.bp3-active{
-      background-color:#d8e1e8;
-      background-image:none;
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-    .bp3-file-upload-input::after:disabled, .bp3-file-upload-input::after.bp3-disabled{
-      background-color:rgba(206, 217, 224, 0.5);
-      background-image:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(92, 112, 128, 0.6);
-      cursor:not-allowed;
-      outline:none; }
-      .bp3-file-upload-input::after:disabled.bp3-active, .bp3-file-upload-input::after:disabled.bp3-active:hover, .bp3-file-upload-input::after.bp3-disabled.bp3-active, .bp3-file-upload-input::after.bp3-disabled.bp3-active:hover{
-        background:rgba(206, 217, 224, 0.7); }
-  .bp3-file-upload-input:hover::after{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-file-upload-input:active::after{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-large .bp3-file-upload-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px;
-    padding-right:95px; }
-    .bp3-large .bp3-file-upload-input[type="search"], .bp3-large .bp3-file-upload-input.bp3-round{
-      padding:0 15px; }
-    .bp3-large .bp3-file-upload-input::after{
-      min-height:30px;
-      min-width:30px;
-      line-height:30px;
-      margin:5px;
-      width:85px; }
-  .bp3-dark .bp3-file-upload-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa;
-    color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:disabled, .bp3-dark .bp3-file-upload-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-file-upload-input::after{
-      background-color:#394b59;
-      background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.05)), to(rgba(255, 255, 255, 0)));
-      background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.05), rgba(255, 255, 255, 0));
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-      color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover, .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        color:#f5f8fa; }
-      .bp3-dark .bp3-file-upload-input::after:hover{
-        background-color:#30404d;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-file-upload-input::after:active, .bp3-dark .bp3-file-upload-input::after.bp3-active{
-        background-color:#202b33;
-        background-image:none;
-        -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-                box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-      .bp3-dark .bp3-file-upload-input::after:disabled, .bp3-dark .bp3-file-upload-input::after.bp3-disabled{
-        background-color:rgba(57, 75, 89, 0.5);
-        background-image:none;
-        -webkit-box-shadow:none;
-                box-shadow:none;
-        color:rgba(167, 182, 194, 0.6); }
-        .bp3-dark .bp3-file-upload-input::after:disabled.bp3-active, .bp3-dark .bp3-file-upload-input::after.bp3-disabled.bp3-active{
-          background:rgba(57, 75, 89, 0.7); }
-      .bp3-dark .bp3-file-upload-input::after .bp3-button-spinner .bp3-spinner-head{
-        background:rgba(16, 22, 26, 0.5);
-        stroke:#8a9ba8; }
-    .bp3-dark .bp3-file-upload-input:hover::after{
-      background-color:#30404d;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-file-upload-input:active::after{
-      background-color:#202b33;
-      background-image:none;
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.6), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-.bp3-file-upload-input::after{
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-.bp3-form-group{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:vertical;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:column;
-          flex-direction:column;
-  margin:0 0 15px; }
-  .bp3-form-group label.bp3-label{
-    margin-bottom:5px; }
-  .bp3-form-group .bp3-control{
-    margin-top:7px; }
-  .bp3-form-group .bp3-form-helper-text{
-    color:#5c7080;
-    font-size:12px;
-    margin-top:5px; }
-  .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#106ba3; }
-  .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#0d8050; }
-  .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#bf7326; }
-  .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#c23030; }
-  .bp3-form-group.bp3-inline{
-    -webkit-box-align:start;
-        -ms-flex-align:start;
-            align-items:flex-start;
-    -webkit-box-orient:horizontal;
-    -webkit-box-direction:normal;
-        -ms-flex-direction:row;
-            flex-direction:row; }
-    .bp3-form-group.bp3-inline.bp3-large label.bp3-label{
-      line-height:40px;
-      margin:0 10px 0 0; }
-    .bp3-form-group.bp3-inline label.bp3-label{
-      line-height:30px;
-      margin:0 10px 0 0; }
-  .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-dark .bp3-form-group.bp3-intent-primary .bp3-form-helper-text{
-    color:#48aff0; }
-  .bp3-dark .bp3-form-group.bp3-intent-success .bp3-form-helper-text{
-    color:#3dcc91; }
-  .bp3-dark .bp3-form-group.bp3-intent-warning .bp3-form-helper-text{
-    color:#ffb366; }
-  .bp3-dark .bp3-form-group.bp3-intent-danger .bp3-form-helper-text{
-    color:#ff7373; }
-  .bp3-dark .bp3-form-group .bp3-form-helper-text{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-label,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-text-muted,
-  .bp3-dark .bp3-form-group.bp3-disabled .bp3-form-helper-text{
-    color:rgba(167, 182, 194, 0.6) !important; }
-.bp3-input-group{
-  display:block;
-  position:relative; }
-  .bp3-input-group .bp3-input{
-    position:relative;
-    width:100%; }
-    .bp3-input-group .bp3-input:not(:first-child){
-      padding-left:30px; }
-    .bp3-input-group .bp3-input:not(:last-child){
-      padding-right:30px; }
-  .bp3-input-group .bp3-input-action,
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-button,
-  .bp3-input-group > .bp3-icon{
-    position:absolute;
-    top:0; }
-    .bp3-input-group .bp3-input-action:first-child,
-    .bp3-input-group > .bp3-input-left-container:first-child,
-    .bp3-input-group > .bp3-button:first-child,
-    .bp3-input-group > .bp3-icon:first-child{
-      left:0; }
-    .bp3-input-group .bp3-input-action:last-child,
-    .bp3-input-group > .bp3-input-left-container:last-child,
-    .bp3-input-group > .bp3-button:last-child,
-    .bp3-input-group > .bp3-icon:last-child{
-      right:0; }
-  .bp3-input-group .bp3-button{
-    min-height:24px;
-    min-width:24px;
-    margin:3px;
-    padding:0 7px; }
-    .bp3-input-group .bp3-button:empty{
-      padding:0; }
-  .bp3-input-group > .bp3-input-left-container,
-  .bp3-input-group > .bp3-icon{
-    z-index:1; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon{
-    color:#5c7080; }
-    .bp3-input-group > .bp3-input-left-container > .bp3-icon:empty,
-    .bp3-input-group > .bp3-icon:empty{
-      font-family:"Icons16", sans-serif;
-      font-size:16px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased; }
-  .bp3-input-group > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group > .bp3-icon,
-  .bp3-input-group .bp3-input-action > .bp3-spinner{
-    margin:7px; }
-  .bp3-input-group .bp3-tag{
-    margin:5px; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus),
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-    color:#5c7080; }
-    .bp3-dark .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus), .bp3-dark
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus){
-      color:#a7b6c2; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:not(:hover):not(:focus) .bp3-icon-large{
-      color:#5c7080; }
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled,
-  .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled{
-    color:rgba(92, 112, 128, 0.6) !important; }
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-standard, .bp3-input-group .bp3-input:not(:focus) + .bp3-button.bp3-minimal:disabled .bp3-icon-large,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-standard,
-    .bp3-input-group .bp3-input:not(:focus) + .bp3-input-action .bp3-button.bp3-minimal:disabled .bp3-icon-large{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-input-group.bp3-disabled{
-    cursor:not-allowed; }
-    .bp3-input-group.bp3-disabled .bp3-icon{
-      color:rgba(92, 112, 128, 0.6); }
-  .bp3-input-group.bp3-large .bp3-button{
-    min-height:30px;
-    min-width:30px;
-    margin:5px; }
-  .bp3-input-group.bp3-large > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-large > .bp3-icon,
-  .bp3-input-group.bp3-large .bp3-input-action > .bp3-spinner{
-    margin:12px; }
-  .bp3-input-group.bp3-large .bp3-input{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input-group.bp3-large .bp3-input[type="search"], .bp3-input-group.bp3-large .bp3-input.bp3-round{
-      padding:0 15px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:first-child){
-      padding-left:40px; }
-    .bp3-input-group.bp3-large .bp3-input:not(:last-child){
-      padding-right:40px; }
-  .bp3-input-group.bp3-small .bp3-button{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small .bp3-tag{
-    min-height:20px;
-    min-width:20px;
-    margin:2px; }
-  .bp3-input-group.bp3-small > .bp3-input-left-container > .bp3-icon,
-  .bp3-input-group.bp3-small > .bp3-icon,
-  .bp3-input-group.bp3-small .bp3-input-action > .bp3-spinner{
-    margin:4px; }
-  .bp3-input-group.bp3-small .bp3-input{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input-group.bp3-small .bp3-input[type="search"], .bp3-input-group.bp3-small .bp3-input.bp3-round{
-      padding:0 12px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:first-child){
-      padding-left:24px; }
-    .bp3-input-group.bp3-small .bp3-input:not(:last-child){
-      padding-right:24px; }
-  .bp3-input-group.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-input-group.bp3-round .bp3-button,
-  .bp3-input-group.bp3-round .bp3-input,
-  .bp3-input-group.bp3-round .bp3-tag{
-    border-radius:30px; }
-  .bp3-dark .bp3-input-group .bp3-icon{
-    color:#a7b6c2; }
-  .bp3-dark .bp3-input-group.bp3-disabled .bp3-icon{
-    color:rgba(167, 182, 194, 0.6); }
-  .bp3-input-group.bp3-intent-primary .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-primary .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input-group.bp3-intent-primary .bp3-input:disabled, .bp3-input-group.bp3-intent-primary .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-primary > .bp3-icon{
-    color:#106ba3; }
-    .bp3-dark .bp3-input-group.bp3-intent-primary > .bp3-icon{
-      color:#48aff0; }
-  .bp3-input-group.bp3-intent-success .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-success .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input-group.bp3-intent-success .bp3-input:disabled, .bp3-input-group.bp3-intent-success .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-success > .bp3-icon{
-    color:#0d8050; }
-    .bp3-dark .bp3-input-group.bp3-intent-success > .bp3-icon{
-      color:#3dcc91; }
-  .bp3-input-group.bp3-intent-warning .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-warning .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input-group.bp3-intent-warning .bp3-input:disabled, .bp3-input-group.bp3-intent-warning .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-warning > .bp3-icon{
-    color:#bf7326; }
-    .bp3-dark .bp3-input-group.bp3-intent-warning > .bp3-icon{
-      color:#ffb366; }
-  .bp3-input-group.bp3-intent-danger .bp3-input{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input-group.bp3-intent-danger .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input-group.bp3-intent-danger .bp3-input:disabled, .bp3-input-group.bp3-intent-danger .bp3-input.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-input-group.bp3-intent-danger > .bp3-icon{
-    color:#c23030; }
-    .bp3-dark .bp3-input-group.bp3-intent-danger > .bp3-icon{
-      color:#ff7373; }
-.bp3-input{
-  -webkit-appearance:none;
-     -moz-appearance:none;
-          appearance:none;
-  background:#ffffff;
-  border:none;
-  border-radius:3px;
-  -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-          box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-  color:#182026;
-  font-size:14px;
-  font-weight:400;
-  height:30px;
-  line-height:30px;
-  outline:none;
-  padding:0 10px;
-  -webkit-transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:-webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  transition:box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9), -webkit-box-shadow 100ms cubic-bezier(0.4, 1, 0.75, 0.9);
-  vertical-align:middle; }
-  .bp3-input::-webkit-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-moz-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::-ms-input-placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input::placeholder{
-    color:rgba(92, 112, 128, 0.6);
-    opacity:1; }
-  .bp3-input:focus, .bp3-input.bp3-active{
-    -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-  .bp3-input[type="search"], .bp3-input.bp3-round{
-    border-radius:30px;
-    -webkit-box-sizing:border-box;
-            box-sizing:border-box;
-    padding-left:10px; }
-  .bp3-input[readonly]{
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.15); }
-  .bp3-input:disabled, .bp3-input.bp3-disabled{
-    background:rgba(206, 217, 224, 0.5);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    resize:none; }
-  .bp3-input.bp3-large{
-    font-size:16px;
-    height:40px;
-    line-height:40px; }
-    .bp3-input.bp3-large[type="search"], .bp3-input.bp3-large.bp3-round{
-      padding:0 15px; }
-  .bp3-input.bp3-small{
-    font-size:12px;
-    height:24px;
-    line-height:24px;
-    padding-left:8px;
-    padding-right:8px; }
-    .bp3-input.bp3-small[type="search"], .bp3-input.bp3-small.bp3-round{
-      padding:0 12px; }
-  .bp3-input.bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex:1 1 auto;
-            flex:1 1 auto;
-    width:100%; }
-  .bp3-dark .bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-    color:#f5f8fa; }
-    .bp3-dark .bp3-input::-webkit-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-moz-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::-ms-input-placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input::placeholder{
-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark .bp3-input:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark .bp3-input:disabled, .bp3-dark .bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-input.bp3-intent-primary{
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary:focus{
-      -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-primary[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-              box-shadow:inset 0 0 0 1px #137cbd; }
-    .bp3-input.bp3-intent-primary:disabled, .bp3-input.bp3-intent-primary.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-primary{
-      -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px #137cbd, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary:focus{
-        -webkit-box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-primary[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #137cbd;
-                box-shadow:inset 0 0 0 1px #137cbd; }
-      .bp3-dark .bp3-input.bp3-intent-primary:disabled, .bp3-dark .bp3-input.bp3-intent-primary.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-success{
-    -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success:focus{
-      -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-success[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-              box-shadow:inset 0 0 0 1px #0f9960; }
-    .bp3-input.bp3-intent-success:disabled, .bp3-input.bp3-intent-success.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-success{
-      -webkit-box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), 0 0 0 0 rgba(15, 153, 96, 0), inset 0 0 0 1px #0f9960, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success:focus{
-        -webkit-box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #0f9960, 0 0 0 1px #0f9960, 0 0 0 3px rgba(15, 153, 96, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-success[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #0f9960;
-                box-shadow:inset 0 0 0 1px #0f9960; }
-      .bp3-dark .bp3-input.bp3-intent-success:disabled, .bp3-dark .bp3-input.bp3-intent-success.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-warning{
-    -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning:focus{
-      -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-warning[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-              box-shadow:inset 0 0 0 1px #d9822b; }
-    .bp3-input.bp3-intent-warning:disabled, .bp3-input.bp3-intent-warning.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-warning{
-      -webkit-box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), 0 0 0 0 rgba(217, 130, 43, 0), inset 0 0 0 1px #d9822b, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning:focus{
-        -webkit-box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #d9822b, 0 0 0 1px #d9822b, 0 0 0 3px rgba(217, 130, 43, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-warning[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #d9822b;
-                box-shadow:inset 0 0 0 1px #d9822b; }
-      .bp3-dark .bp3-input.bp3-intent-warning:disabled, .bp3-dark .bp3-input.bp3-intent-warning.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input.bp3-intent-danger{
-    -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.15), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger:focus{
-      -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2);
-              box-shadow:0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.2); }
-    .bp3-input.bp3-intent-danger[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px #db3737;
-              box-shadow:inset 0 0 0 1px #db3737; }
-    .bp3-input.bp3-intent-danger:disabled, .bp3-input.bp3-intent-danger.bp3-disabled{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-input.bp3-intent-danger{
-      -webkit-box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), 0 0 0 0 rgba(219, 55, 55, 0), inset 0 0 0 1px #db3737, inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger:focus{
-        -webkit-box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
-                box-shadow:0 0 0 1px #db3737, 0 0 0 1px #db3737, 0 0 0 3px rgba(219, 55, 55, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-      .bp3-dark .bp3-input.bp3-intent-danger[readonly]{
-        -webkit-box-shadow:inset 0 0 0 1px #db3737;
-                box-shadow:inset 0 0 0 1px #db3737; }
-      .bp3-dark .bp3-input.bp3-intent-danger:disabled, .bp3-dark .bp3-input.bp3-intent-danger.bp3-disabled{
-        -webkit-box-shadow:none;
-                box-shadow:none; }
-  .bp3-input::-ms-clear{
-    display:none; }
-textarea.bp3-input{
-  max-width:100%;
-  padding:10px; }
-  textarea.bp3-input, textarea.bp3-input.bp3-large, textarea.bp3-input.bp3-small{
-    height:auto;
-    line-height:inherit; }
-  textarea.bp3-input.bp3-small{
-    padding:8px; }
-  .bp3-dark textarea.bp3-input{
-    background:rgba(16, 22, 26, 0.3);
-    -webkit-box-shadow:0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), 0 0 0 0 rgba(19, 124, 189, 0), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4);
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-    color:#f5f8fa; }
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-      color:rgba(167, 182, 194, 0.6); }
-    .bp3-dark textarea.bp3-input::-moz-placeholder{
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-      color:rgba(167, 182, 194, 0.6); }
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-    .bp3-dark textarea.bp3-input::placeholder{
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-              box-shadow:0 0 0 1px #137cbd, 0 0 0 1px #137cbd, 0 0 0 3px rgba(19, 124, 189, 0.3), inset 0 0 0 1px rgba(16, 22, 26, 0.3), inset 0 1px 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input[readonly]{
-      -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4);
-              box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.4); }
-    .bp3-dark textarea.bp3-input:disabled, .bp3-dark textarea.bp3-input.bp3-disabled{
-      background:rgba(57, 75, 89, 0.5);
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:rgba(167, 182, 194, 0.6); }
-label.bp3-label{
-  display:block;
-  margin-bottom:15px;
-  margin-top:0; }
-  label.bp3-label .bp3-html-select,
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-  label.bp3-label .bp3-select,
-  label.bp3-label .bp3-slider,
-  label.bp3-label .bp3-popover-wrapper{
-    display:block;
-    margin-top:5px;
-    text-transform:none; }
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-    margin-top:5px; }
-  label.bp3-label .bp3-select select,
-  label.bp3-label .bp3-html-select select{
-    font-weight:400;
-    vertical-align:top;
-    width:100%; }
-  label.bp3-label.bp3-disabled,
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-    color:rgba(92, 112, 128, 0.6); }
-  label.bp3-label.bp3-inline{
-    line-height:30px; }
-    label.bp3-label.bp3-inline .bp3-html-select,
-    label.bp3-label.bp3-inline .bp3-input,
-    label.bp3-label.bp3-inline .bp3-input-group,
-    label.bp3-label.bp3-inline .bp3-select,
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-      display:inline-block;
-      margin:0 0 0 5px;
-      vertical-align:top; }
-    label.bp3-label.bp3-inline .bp3-button-group{
-      margin:0 0 0 5px; }
-    label.bp3-label.bp3-inline .bp3-input-group .bp3-input{
-      margin-left:0; }
-    label.bp3-label.bp3-inline.bp3-large{
-      line-height:40px; }
-  label.bp3-label:not(.bp3-inline) .bp3-popover-target{
-    display:block; }
-  .bp3-dark label.bp3-label{
-    color:#f5f8fa; }
-    .bp3-dark label.bp3-label.bp3-disabled,
-    .bp3-dark label.bp3-label.bp3-disabled .bp3-text-muted{
-      color:rgba(167, 182, 194, 0.6); }
-.bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button{
-  -webkit-box-flex:1;
-      -ms-flex:1 1 14px;
-          flex:1 1 14px;
-  min-height:0;
-  padding:0;
-  width:30px; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:first-child{
-    border-radius:0 3px 0 0; }
-  .bp3-numeric-input .bp3-button-group.bp3-vertical > .bp3-button:last-child{
-    border-radius:0 0 3px 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:first-child{
-  border-radius:3px 0 0 0; }
-
-.bp3-numeric-input .bp3-button-group.bp3-vertical:first-child > .bp3-button:last-child{
-  border-radius:0 0 0 3px; }
-
-.bp3-numeric-input.bp3-large .bp3-button-group.bp3-vertical > .bp3-button{
-  width:40px; }
-
-form{
-  display:block; }
-.bp3-html-select select,
-.bp3-select select{
-  display:-webkit-inline-box;
-  display:-ms-inline-flexbox;
-  display:inline-flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  border:none;
-  border-radius:3px;
-  cursor:pointer;
-  font-size:14px;
-  -webkit-box-pack:center;
-      -ms-flex-pack:center;
-          justify-content:center;
-  padding:5px 10px;
-  text-align:left;
-  vertical-align:middle;
-  background-color:#f5f8fa;
-  background-image:-webkit-gradient(linear, left top, left bottom, from(rgba(255, 255, 255, 0.8)), to(rgba(255, 255, 255, 0)));
-  background-image:linear-gradient(to bottom, rgba(255, 255, 255, 0.8), rgba(255, 255, 255, 0));
-  -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-          box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-  color:#182026;
-  -moz-appearance:none;
-  -webkit-appearance:none;
-  border-radius:3px;
-  height:30px;
-  padding:0 25px 0 10px;
-  width:100%; }
-  .bp3-html-select select > *, .bp3-select select > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
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-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
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-  .bp3-select select::before, .bp3-html-select select > *, .bp3-select select > *{
-    margin-right:7px; }
-  .bp3-html-select select:empty::before,
-  .bp3-select select:empty::before,
-  .bp3-html-select select > :last-child,
-  .bp3-select select > :last-child{
-    margin-right:0; }
-  .bp3-html-select select:hover,
-  .bp3-select select:hover{
-    background-clip:padding-box;
-    background-color:#ebf1f5;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
-  .bp3-html-select select:active,
-  .bp3-select select:active, .bp3-html-select select.bp3-active,
-  .bp3-select select.bp3-active{
-    background-color:#d8e1e8;
-    background-image:none;
-    -webkit-box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2);
-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 1px 2px rgba(16, 22, 26, 0.2); }
-  .bp3-html-select select:disabled,
-  .bp3-select select:disabled, .bp3-html-select select.bp3-disabled,
-  .bp3-select select.bp3-disabled{
-    background-color:rgba(206, 217, 224, 0.5);
-    background-image:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed;
-    outline:none; }
-    .bp3-html-select select:disabled.bp3-active,
-    .bp3-select select:disabled.bp3-active, .bp3-html-select select:disabled.bp3-active:hover,
-    .bp3-select select:disabled.bp3-active:hover, .bp3-html-select select.bp3-disabled.bp3-active,
-    .bp3-select select.bp3-disabled.bp3-active, .bp3-html-select select.bp3-disabled.bp3-active:hover,
-    .bp3-select select.bp3-disabled.bp3-active:hover{
-      background:rgba(206, 217, 224, 0.7); }
-
-.bp3-html-select.bp3-minimal select,
-.bp3-select.bp3-minimal select{
-  background:none;
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  .bp3-html-select.bp3-minimal select:hover,
-  .bp3-select.bp3-minimal select:hover{
-    background:rgba(167, 182, 194, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026;
-    text-decoration:none; }
-  .bp3-html-select.bp3-minimal select:active,
-  .bp3-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal select.bp3-active,
-  .bp3-select.bp3-minimal select.bp3-active{
-    background:rgba(115, 134, 148, 0.3);
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:#182026; }
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-  .bp3-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal select:disabled:hover,
-  .bp3-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal select.bp3-disabled,
-  .bp3-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal select.bp3-disabled:hover,
-  .bp3-select.bp3-minimal select.bp3-disabled:hover{
-    background:none;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-    .bp3-html-select.bp3-minimal select:disabled.bp3-active,
-    .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active{
-      background:rgba(115, 134, 148, 0.3); }
-  .bp3-dark .bp3-html-select.bp3-minimal select, .bp3-html-select.bp3-minimal .bp3-dark select,
-  .bp3-dark .bp3-select.bp3-minimal select, .bp3-select.bp3-minimal .bp3-dark select{
-    background:none;
-    -webkit-box-shadow:none;
-            box-shadow:none;
-    color:inherit; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover, .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:hover, .bp3-html-select.bp3-minimal .bp3-dark select:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:hover, .bp3-select.bp3-minimal .bp3-dark select:hover{
-      background:rgba(138, 155, 168, 0.15); }
-    .bp3-dark .bp3-html-select.bp3-minimal select:active, .bp3-html-select.bp3-minimal .bp3-dark select:active,
-    .bp3-dark .bp3-select.bp3-minimal select:active, .bp3-select.bp3-minimal .bp3-dark select:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-active,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-active{
-      background:rgba(138, 155, 168, 0.3);
-      color:#f5f8fa; }
-    .bp3-dark .bp3-html-select.bp3-minimal select:disabled, .bp3-html-select.bp3-minimal .bp3-dark select:disabled,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled, .bp3-select.bp3-minimal .bp3-dark select:disabled, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select:disabled:hover, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover,
-    .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover{
-      background:none;
-      color:rgba(167, 182, 194, 0.6);
-      cursor:not-allowed; }
-      .bp3-dark .bp3-html-select.bp3-minimal select:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select:disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select:disabled:hover.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-disabled:hover.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-disabled:hover.bp3-active{
-        background:rgba(138, 155, 168, 0.3); }
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-  .bp3-select.bp3-minimal select.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:hover{
-      background:rgba(19, 124, 189, 0.15);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active{
-      background:rgba(19, 124, 189, 0.3);
-      color:#106ba3; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled,
-    .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled{
-      background:none;
-      color:rgba(16, 107, 163, 0.5); }
-      .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active,
-      .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active{
-        background:rgba(19, 124, 189, 0.3); }
-    .bp3-html-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head, .bp3-select.bp3-minimal select.bp3-intent-primary .bp3-button-spinner .bp3-spinner-head{
-      stroke:#106ba3; }
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-    .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary{
-      color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:hover, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:hover{
-        background:rgba(19, 124, 189, 0.2);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-active{
-        background:rgba(19, 124, 189, 0.3);
-        color:#48aff0; }
-      .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled,
-      .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled{
-        background:none;
-        color:rgba(72, 175, 240, 0.5); }
-        .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary:disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary:disabled.bp3-active, .bp3-dark .bp3-html-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-html-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active,
-        .bp3-dark .bp3-select.bp3-minimal select.bp3-intent-primary.bp3-disabled.bp3-active, .bp3-select.bp3-minimal .bp3-dark select.bp3-intent-primary.bp3-disabled.bp3-active{
-          background:rgba(19, 124, 189, 0.3); }
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-    color:#0d8050; }
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-    .bp3-select.bp3-minimal select.bp3-intent-success:hover, .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
-      background:none;
-      -webkit-box-shadow:none;
-              box-shadow:none;
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:hover,
-    .bp3-select.bp3-minimal select.bp3-intent-success:hover{
-      background:rgba(15, 153, 96, 0.15);
-      color:#0d8050; }
-    .bp3-html-select.bp3-minimal select.bp3-intent-success:active,
-    .bp3-select.bp3-minimal select.bp3-intent-success:active, .bp3-html-select.bp3-minimal select.bp3-intent-success.bp3-active,
-    .bp3-select.bp3-minimal select.bp3-intent-success.bp3-active{
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-.bp3-html-select.bp3-large select,
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-.bp3-html-select .bp3-icon,
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-.bp3-select{
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-    .bp3-select .bp3-icon{
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-      .bp3-select .bp3-icon:hover{
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-.bp3-select::after{
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-
-table.bp3-html-table.bp3-html-table-condensed th,
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-table.bp3-html-table.bp3-small td{
-  padding-bottom:6px;
-  padding-top:6px; }
-
-table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-  background:rgba(191, 204, 214, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-  -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-  -webkit-box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15);
-          box-shadow:inset 0 1px 0 0 rgba(16, 22, 26, 0.15); }
-  table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-    -webkit-box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 1px 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-  -webkit-box-shadow:none;
-          box-shadow:none; }
-  table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(16, 22, 26, 0.15); }
-
-table.bp3-html-table.bp3-interactive tbody tr:hover td{
-  background-color:rgba(191, 204, 214, 0.3);
-  cursor:pointer; }
-
-table.bp3-html-table.bp3-interactive tbody tr:active td{
-  background-color:rgba(191, 204, 214, 0.4); }
-
-.bp3-dark table.bp3-html-table{ }
-  .bp3-dark table.bp3-html-table.bp3-html-table-striped tbody tr:nth-child(odd) td{
-    background:rgba(92, 112, 128, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered th:not(:first-child){
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td{
-    -webkit-box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 0 1px 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered tbody tr td:not(:first-child){
-      -webkit-box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15);
-              box-shadow:inset 1px 1px 0 0 rgba(255, 255, 255, 0.15); }
-  .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td{
-    -webkit-box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15);
-            box-shadow:inset 1px 0 0 0 rgba(255, 255, 255, 0.15); }
-    .bp3-dark table.bp3-html-table.bp3-html-table-bordered.bp3-html-table-striped tbody tr:not(:first-child) td:first-child{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:hover td{
-    background-color:rgba(92, 112, 128, 0.3);
-    cursor:pointer; }
-  .bp3-dark table.bp3-html-table.bp3-interactive tbody tr:active td{
-    background-color:rgba(92, 112, 128, 0.4); }
-
-.bp3-key-combo{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center; }
-  .bp3-key-combo > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-key-combo > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-key-combo::before,
-  .bp3-key-combo > *{
-    margin-right:5px; }
-  .bp3-key-combo:empty::before,
-  .bp3-key-combo > :last-child{
-    margin-right:0; }
-
-.bp3-hotkey-dialog{
-  padding-bottom:0;
-  top:40px; }
-  .bp3-hotkey-dialog .bp3-dialog-body{
-    margin:0;
-    padding:0; }
-  .bp3-hotkey-dialog .bp3-hotkey-label{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1; }
-
-.bp3-hotkey-column{
-  margin:auto;
-  max-height:80vh;
-  overflow-y:auto;
-  padding:30px; }
-  .bp3-hotkey-column .bp3-heading{
-    margin-bottom:20px; }
-    .bp3-hotkey-column .bp3-heading:not(:first-child){
-      margin-top:40px; }
-
-.bp3-hotkey{
-  -webkit-box-align:center;
-      -ms-flex-align:center;
-          align-items:center;
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-pack:justify;
-      -ms-flex-pack:justify;
-          justify-content:space-between;
-  margin-left:0;
-  margin-right:0; }
-  .bp3-hotkey:not(:last-child){
-    margin-bottom:10px; }
-.bp3-icon{
-  display:inline-block;
-  -webkit-box-flex:0;
-      -ms-flex:0 0 auto;
-          flex:0 0 auto;
-  vertical-align:text-bottom; }
-  .bp3-icon:not(:empty)::before{
-    content:"" !important;
-    content:unset !important; }
-  .bp3-icon > svg{
-    display:block; }
-    .bp3-icon > svg:not([fill]){
-      fill:currentColor; }
-
-.bp3-icon.bp3-intent-primary, .bp3-icon-standard.bp3-intent-primary, .bp3-icon-large.bp3-intent-primary{
-  color:#106ba3; }
-  .bp3-dark .bp3-icon.bp3-intent-primary, .bp3-dark .bp3-icon-standard.bp3-intent-primary, .bp3-dark .bp3-icon-large.bp3-intent-primary{
-    color:#48aff0; }
-
-.bp3-icon.bp3-intent-success, .bp3-icon-standard.bp3-intent-success, .bp3-icon-large.bp3-intent-success{
-  color:#0d8050; }
-  .bp3-dark .bp3-icon.bp3-intent-success, .bp3-dark .bp3-icon-standard.bp3-intent-success, .bp3-dark .bp3-icon-large.bp3-intent-success{
-    color:#3dcc91; }
-
-.bp3-icon.bp3-intent-warning, .bp3-icon-standard.bp3-intent-warning, .bp3-icon-large.bp3-intent-warning{
-  color:#bf7326; }
-  .bp3-dark .bp3-icon.bp3-intent-warning, .bp3-dark .bp3-icon-standard.bp3-intent-warning, .bp3-dark .bp3-icon-large.bp3-intent-warning{
-    color:#ffb366; }
-
-.bp3-icon.bp3-intent-danger, .bp3-icon-standard.bp3-intent-danger, .bp3-icon-large.bp3-intent-danger{
-  color:#c23030; }
-  .bp3-dark .bp3-icon.bp3-intent-danger, .bp3-dark .bp3-icon-standard.bp3-intent-danger, .bp3-dark .bp3-icon-large.bp3-intent-danger{
-    color:#ff7373; }
-
-span.bp3-icon-standard{
-  font-family:"Icons16", sans-serif;
-  font-size:16px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon-large{
-  font-family:"Icons20", sans-serif;
-  font-size:20px;
-  font-style:normal;
-  font-weight:400;
-  line-height:1;
-  -moz-osx-font-smoothing:grayscale;
-  -webkit-font-smoothing:antialiased;
-  display:inline-block; }
-
-span.bp3-icon:empty{
-  font-family:"Icons20";
-  font-size:inherit;
-  font-style:normal;
-  font-weight:400;
-  line-height:1; }
-  span.bp3-icon:empty::before{
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased; }
-
-.bp3-icon-add::before{
-  content:""; }
-
-.bp3-icon-add-column-left::before{
-  content:""; }
-
-.bp3-icon-add-column-right::before{
-  content:""; }
-
-.bp3-icon-add-row-bottom::before{
-  content:""; }
-
-.bp3-icon-add-row-top::before{
-  content:""; }
-
-.bp3-icon-add-to-artifact::before{
-  content:""; }
-
-.bp3-icon-add-to-folder::before{
-  content:""; }
-
-.bp3-icon-airplane::before{
-  content:""; }
-
-.bp3-icon-align-center::before{
-  content:""; }
-
-.bp3-icon-align-justify::before{
-  content:""; }
-
-.bp3-icon-align-left::before{
-  content:""; }
-
-.bp3-icon-align-right::before{
-  content:""; }
-
-.bp3-icon-alignment-bottom::before{
-  content:""; }
-
-.bp3-icon-alignment-horizontal-center::before{
-  content:""; }
-
-.bp3-icon-alignment-left::before{
-  content:""; }
-
-.bp3-icon-alignment-right::before{
-  content:""; }
-
-.bp3-icon-alignment-top::before{
-  content:""; }
-
-.bp3-icon-alignment-vertical-center::before{
-  content:""; }
-
-.bp3-icon-annotation::before{
-  content:""; }
-
-.bp3-icon-application::before{
-  content:""; }
-
-.bp3-icon-applications::before{
-  content:""; }
-
-.bp3-icon-archive::before{
-  content:""; }
-
-.bp3-icon-arrow-bottom-left::before{
-  content:"↙"; }
-
-.bp3-icon-arrow-bottom-right::before{
-  content:"↘"; }
-
-.bp3-icon-arrow-down::before{
-  content:"↓"; }
-
-.bp3-icon-arrow-left::before{
-  content:"←"; }
-
-.bp3-icon-arrow-right::before{
-  content:"→"; }
-
-.bp3-icon-arrow-top-left::before{
-  content:"↖"; }
-
-.bp3-icon-arrow-top-right::before{
-  content:"↗"; }
-
-.bp3-icon-arrow-up::before{
-  content:"↑"; }
-
-.bp3-icon-arrows-horizontal::before{
-  content:"↔"; }
-
-.bp3-icon-arrows-vertical::before{
-  content:"↕"; }
-
-.bp3-icon-asterisk::before{
-  content:"*"; }
-
-.bp3-icon-automatic-updates::before{
-  content:""; }
-
-.bp3-icon-badge::before{
-  content:""; }
-
-.bp3-icon-ban-circle::before{
-  content:""; }
-
-.bp3-icon-bank-account::before{
-  content:""; }
-
-.bp3-icon-barcode::before{
-  content:""; }
-
-.bp3-icon-blank::before{
-  content:""; }
-
-.bp3-icon-blocked-person::before{
-  content:""; }
-
-.bp3-icon-bold::before{
-  content:""; }
-
-.bp3-icon-book::before{
-  content:""; }
-
-.bp3-icon-bookmark::before{
-  content:""; }
-
-.bp3-icon-box::before{
-  content:""; }
-
-.bp3-icon-briefcase::before{
-  content:""; }
-
-.bp3-icon-bring-data::before{
-  content:""; }
-
-.bp3-icon-build::before{
-  content:""; }
-
-.bp3-icon-calculator::before{
-  content:""; }
-
-.bp3-icon-calendar::before{
-  content:""; }
-
-.bp3-icon-camera::before{
-  content:""; }
-
-.bp3-icon-caret-down::before{
-  content:"⌄"; }
-
-.bp3-icon-caret-left::before{
-  content:"〈"; }
-
-.bp3-icon-caret-right::before{
-  content:"〉"; }
-
-.bp3-icon-caret-up::before{
-  content:"⌃"; }
-
-.bp3-icon-cell-tower::before{
-  content:""; }
-
-.bp3-icon-changes::before{
-  content:""; }
-
-.bp3-icon-chart::before{
-  content:""; }
-
-.bp3-icon-chat::before{
-  content:""; }
-
-.bp3-icon-chevron-backward::before{
-  content:""; }
-
-.bp3-icon-chevron-down::before{
-  content:""; }
-
-.bp3-icon-chevron-forward::before{
-  content:""; }
-
-.bp3-icon-chevron-left::before{
-  content:""; }
-
-.bp3-icon-chevron-right::before{
-  content:""; }
-
-.bp3-icon-chevron-up::before{
-  content:""; }
-
-.bp3-icon-circle::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-down::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-left::before{
-  content:""; }
-
-.bp3-icon-circle-arrow-right::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-circle-arrow-up::before{
-  content:""; }
+.jp-Collapse {
+  display: flex;
+  flex-direction: column;
+  align-items: stretch;
+}
 
-.bp3-icon-citation::before{
-  content:""; }
+.jp-Collapse-header {
+  padding: 1px 12px;
+  background-color: var(--jp-layout-color1);
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  align-items: center;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  text-transform: uppercase;
+  user-select: none;
+}
 
-.bp3-icon-clean::before{
-  content:""; }
+.jp-Collapser-icon {
+  height: 16px;
+}
 
-.bp3-icon-clipboard::before{
-  content:""; }
+.jp-Collapse-header-collapsed .jp-Collapser-icon {
+  transform: rotate(-90deg);
+  margin: auto 0;
+}
 
-.bp3-icon-cloud::before{
-  content:"☁"; }
+.jp-Collapser-title {
+  line-height: 25px;
+}
 
-.bp3-icon-cloud-download::before{
-  content:""; }
+.jp-Collapse-contents {
+  padding: 0 12px;
+  background-color: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
+}
 
-.bp3-icon-cloud-upload::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-code::before{
-  content:""; }
+/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
 
-.bp3-icon-code-block::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-cog::before{
-  content:""; }
+/* Icons urls */
 
-.bp3-icon-collapse-all::before{
-  content:""; }
-
-.bp3-icon-column-layout::before{
-  content:""; }
-
-.bp3-icon-comment::before{
-  content:""; }
+:root {
+  --jp-icon-add-above: url(data:image/svg+xml;base64,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);
+  --jp-icon-add-below: url(data:image/svg+xml;base64,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);
+  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-bell: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug-dot: url(data:image/svg+xml;base64,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);
+  --jp-icon-bug: url(data:image/svg+xml;base64,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);
+  --jp-icon-build: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE0LjkgMTcuNDVDMTYuMjUgMTcuNDUgMTcuMzUgMTYuMzUgMTcuMzUgMTVDMTcuMzUgMTMuNjUgMTYuMjUgMTIuNTUgMTQuOSAxMi41NUMxMy41NCAxMi41NSAxMi40NSAxMy42NSAxMi40NSAxNUMxMi40NSAxNi4zNSAxMy41NCAxNy40NSAxNC45IDE3LjQ1Wk0yMC4xIDE1LjY4TDIxLjU4IDE2Ljg0QzIxLjcxIDE2Ljk1IDIxLjc1IDE3LjEzIDIxLjY2IDE3LjI5TDIwLjI2IDE5LjcxQzIwLjE3IDE5Ljg2IDIwIDE5LjkyIDE5LjgzIDE5Ljg2TDE4LjA5IDE5LjE2QzE3LjczIDE5LjQ0IDE3LjMzIDE5LjY3IDE2LjkxIDE5Ljg1TDE2LjY0IDIxLjdDMTYuNjIgMjEuODcgMTYuNDcgMjIgMTYuMyAyMkgxMy41QzEzLjMyIDIyIDEzLjE4IDIxLjg3IDEzLjE1IDIxLjdMMTIuODkgMTkuODVDMTIuNDYgMTkuNjcgMTIuMDcgMTkuNDQgMTEuNzEgMTkuMTZMOS45NjAwMiAxOS44NkM5LjgxMDAyIDE5LjkyIDkuNjIwMDIgMTkuODYgOS41NDAwMiAxOS43MUw4LjE0MDAyIDE3LjI5QzguMDUwMDIgMTcuMTMgOC4wOTAwMiAxNi45NSA4LjIyMDAyIDE2Ljg0TDkuNzAwMDIgMTUuNjhMOS42NTAwMSAxNUw5LjcwMDAyIDE0LjMxTDguMjIwMDIgMTMuMTZDOC4wOTAwMiAxMy4wNSA4LjA1MDAyIDEyLjg2IDguMTQwMDIgMTIuNzFMOS41NDAwMiAxMC4yOUM5LjYyMDAyIDEwLjEzIDkuODEwMDIgMTAuMDcgOS45NjAwMiAxMC4xM0wxMS43MSAxMC44NEMxMi4wNyAxMC41NiAxMi40NiAxMC4zMiAxMi44OSAxMC4xNUwxMy4xNSA4LjI4OTk4QzEzLjE4IDguMTI5OTggMTMuMzIgNy45OTk5OCAxMy41IDcuOTk5OThIMTYuM0MxNi40NyA3Ljk5OTk4IDE2LjYyIDguMTI5OTggMTYuNjQgOC4yODk5OEwxNi45MSAxMC4xNUMxNy4zMyAxMC4zMiAxNy43MyAxMC41NiAxOC4wOSAxMC44NEwxOS44MyAxMC4xM0MyMCAxMC4wNyAyMC4xNyAxMC4xMyAyMC4yNiAxMC4yOUwyMS42NiAxMi43MUMyMS43NSAxMi44NiAyMS43MSAxMy4wNSAyMS41OCAxMy4xNkwyMC4xIDE0LjMxTDIwLjE1IDE1TDIwLjEgMTUuNjhaIi8+CiAgICA8cGF0aCBkPSJNNy4zMjk2NiA3LjQ0NDU0QzguMDgzMSA3LjAwOTU0IDguMzM5MzIgNi4wNTMzMiA3LjkwNDMyIDUuMjk5ODhDNy40NjkzMiA0LjU0NjQzIDYuNTA4MSA0LjI4MTU2IDUuNzU0NjYgNC43MTY1NkM1LjM5MTc2IDQuOTI2MDggNS4xMjY5NSA1LjI3MTE4IDUuMDE4NDkgNS42NzU5NEM0LjkxMDA0IDYuMDgwNzEgNC45NjY4MiA2LjUxMTk4IDUuMTc2MzQgNi44NzQ4OEM1LjYxMTM0IDcuNjI4MzIgNi41NzYyMiA3Ljg3OTU0IDcuMzI5NjYgNy40NDQ1NFpNOS42NTcxOCA0Ljc5NTkzTDEwLjg2NzIgNC45NTE3OUMxMC45NjI4IDQuOTc3NDEgMTEuMDQwMiA1LjA3MTMzIDExLjAzODIgNS4xODc5M0wxMS4wMzg4IDYuOTg4OTNDMTEuMDQ1NSA3LjEwMDU0IDEwLjk2MTYgNy4xOTUxOCAxMC44NTUgNy4yMTA1NEw5LjY2MDAxIDcuMzgwODNMOS4yMzkxNSA4LjEzMTg4TDkuNjY5NjEgOS4yNTc0NUM5LjcwNzI5IDkuMzYyNzEgOS42NjkzNCA5LjQ3Njk5IDkuNTc0MDggOS41MzE5OUw4LjAxNTIzIDEwLjQzMkM3LjkxMTMxIDEwLjQ5MiA3Ljc5MzM3IDEwLjQ2NzcgNy43MjEwNSAxMC4zODI0TDYuOTg3NDggOS40MzE4OEw2LjEwOTMxIDkuNDMwODNMNS4zNDcwNCAxMC4zOTA1QzUuMjg5MDkgMTAuNDcwMiA1LjE3MzgzIDEwLjQ5MDUgNS4wNzE4NyAxMC40MzM5TDMuNTEyNDUgOS41MzI5M0MzLjQxMDQ5IDkuNDc2MzMgMy4zNzY0NyA5LjM1NzQxIDMuNDEwNzUgOS4yNTY3OUwzLjg2MzQ3IDguMTQwOTNMMy42MTc0OSA3Ljc3NDg4TDMuNDIzNDcgNy4zNzg4M0wyLjIzMDc1IDcuMjEyOTdDMi4xMjY0NyA3LjE5MjM1IDIuMDQwNDkgNy4xMDM0MiAyLjA0MjQ1IDYuOTg2ODJMMi4wNDE4NyA1LjE4NTgyQzIuMDQzODMgNS4wNjkyMiAyLjExOTA5IDQuOTc5NTggMi4yMTcwNCA0Ljk2OTIyTDMuNDIwNjUgNC43OTM5M0wzLjg2NzQ5IDQuMDI3ODhMMy40MTEwNSAyLjkxNzMxQzMuMzczMzcgMi44MTIwNCAzLjQxMTMxIDIuNjk3NzYgMy41MTUyMyAyLjYzNzc2TDUuMDc0MDggMS43Mzc3NkM1LjE2OTM0IDEuNjgyNzYgNS4yODcyOSAxLjcwNzA0IDUuMzU5NjEgMS43OTIzMUw2LjExOTE1IDIuNzI3ODhMNi45ODAwMSAyLjczODkzTDcuNzI0OTYgMS43ODkyMkM3Ljc5MTU2IDEuNzA0NTggNy45MTU0OCAxLjY3OTIyIDguMDA4NzkgMS43NDA4Mkw5LjU2ODIxIDIuNjQxODJDOS42NzAxNyAyLjY5ODQyIDkuNzEyODUgMi44MTIzNCA5LjY4NzIzIDIuOTA3OTdMOS4yMTcxOCA0LjAzMzgzTDkuNDYzMTYgNC4zOTk4OEw5LjY1NzE4IDQuNzk1OTNaIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
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+  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-circle: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMTggMTgiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iOSIgY3k9IjkiIHI9IjgiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-clear: url(data:image/svg+xml;base64,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);
+  --jp-icon-close: url(data:image/svg+xml;base64,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);
+  --jp-icon-code-check: url(data:image/svg+xml;base64,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);
+  --jp-icon-code: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTExLjQgMTguNkw2LjggMTRMMTEuNCA5LjRMMTAgOEw0IDE0TDEwIDIwTDExLjQgMTguNlpNMTYuNiAxOC42TDIxLjIgMTRMMTYuNiA5LjRMMTggOEwyNCAxNEwxOCAyMEwxNi42IDE4LjZWMTguNloiLz4KCTwvZz4KPC9zdmc+Cg==);
+  --jp-icon-collapse-all: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGgKICAgICAgICAgICAgZD0iTTggMmMxIDAgMTEgMCAxMiAwczIgMSAyIDJjMCAxIDAgMTEgMCAxMnMwIDItMiAyQzIwIDE0IDIwIDQgMjAgNFMxMCA0IDYgNGMwLTIgMS0yIDItMnoiIC8+CiAgICAgICAgPHBhdGgKICAgICAgICAgICAgZD0iTTE4IDhjMC0xLTEtMi0yLTJTNSA2IDQgNnMtMiAxLTIgMmMwIDEgMCAxMSAwIDEyczEgMiAyIDJjMSAwIDExIDAgMTIgMHMyLTEgMi0yYzAtMSAwLTExIDAtMTJ6bS0yIDB2MTJINFY4eiIgLz4KICAgICAgICA8cGF0aCBkPSJNNiAxM3YyaDh2LTJ6IiAvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-console: url(data:image/svg+xml;base64,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);
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+  --jp-icon-copyright: url(data:image/svg+xml;base64,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);
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+  --jp-icon-ellipses: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPGNpcmNsZSBjeD0iNSIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxMiIgY3k9IjEyIiByPSIyIi8+CiAgICA8Y2lyY2xlIGN4PSIxOSIgY3k9IjEyIiByPSIyIi8+CiAgPC9nPgo8L3N2Zz4K);
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+  --jp-icon-extension: url(data:image/svg+xml;base64,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);
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+  --jp-icon-file-upload: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTZoNnYtNmg0bC03LTctNyA3aDR6bS00IDJoMTR2Mkg1eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-file: url(data:image/svg+xml;base64,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);
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+  --jp-icon-filter: url(data:image/svg+xml;base64,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);
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+  --jp-icon-home: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjRweCIgdmlld0JveD0iMCAwIDI0IDI0IiB3aWR0aD0iMjRweCIgZmlsbD0iIzAwMDAwMCI+CiAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPjxwYXRoIGNsYXNzPSJqcC1pY29uMyBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xMCAyMHYtNmg0djZoNXYtOGgzTDEyIDMgMiAxMmgzdjh6Ii8+Cjwvc3ZnPgo=);
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+  --jp-icon-info: url(data:image/svg+xml;base64,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);
+  --jp-icon-inspector: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaW5zcGVjdG9yLWljb24tY29sb3IganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMjAgNEg0Yy0xLjEgMC0xLjk5LjktMS45OSAyTDIgMThjMCAxLjEuOSAyIDIgMmgxNmMxLjEgMCAyLS45IDItMlY2YzAtMS4xLS45LTItMi0yem0tNSAxNEg0di00aDExdjR6bTAtNUg0VjloMTF2NHptNSA1aC00VjloNHY5eiIvPgo8L3N2Zz4K);
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+  --jp-icon-kernel: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiIgZmlsbD0iIzYxNjE2MSIgZD0iTTE1IDlIOXY2aDZWOXptLTIgNGgtMnYtMmgydjJ6bTgtMlY5aC0yVjdjMC0xLjEtLjktMi0yLTJoLTJWM2gtMnYyaC0yVjNIOXYySDdjLTEuMSAwLTIgLjktMiAydjJIM3YyaDJ2MkgzdjJoMnYyYzAgMS4xLjkgMiAyIDJoMnYyaDJ2LTJoMnYyaDJ2LTJoMmMxLjEgMCAyLS45IDItMnYtMmgydi0yaC0ydi0yaDJ6bS00IDZIN1Y3aDEwdjEweiIvPgo8L3N2Zz4K);
+  --jp-icon-keyboard: url(data:image/svg+xml;base64,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);
+  --jp-icon-launch: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMzIgMzIiIHdpZHRoPSIzMiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIj4KICAgIDxwYXRoIGQ9Ik0yNiwyOEg2YTIuMDAyNywyLjAwMjcsMCwwLDEtMi0yVjZBMi4wMDI3LDIuMDAyNywwLDAsMSw2LDRIMTZWNkg2VjI2SDI2VjE2aDJWMjZBMi4wMDI3LDIuMDAyNywwLDAsMSwyNiwyOFoiLz4KICAgIDxwb2x5Z29uIHBvaW50cz0iMjAgMiAyMCA0IDI2LjU4NiA0IDE4IDEyLjU4NiAxOS40MTQgMTQgMjggNS40MTQgMjggMTIgMzAgMTIgMzAgMiAyMCAyIi8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-launcher: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTkgMTlINVY1aDdWM0g1YTIgMiAwIDAwLTIgMnYxNGEyIDIgMCAwMDIgMmgxNGMxLjEgMCAyLS45IDItMnYtN2gtMnY3ek0xNCAzdjJoMy41OWwtOS44MyA5LjgzIDEuNDEgMS40MUwxOSA2LjQxVjEwaDJWM2gtN3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-line-form: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGZpbGw9IndoaXRlIiBkPSJNNS44OCA0LjEyTDEzLjc2IDEybC03Ljg4IDcuODhMOCAyMmwxMC0xMEw4IDJ6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-link: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTMuOSAxMmMwLTEuNzEgMS4zOS0zLjEgMy4xLTMuMWg0VjdIN2MtMi43NiAwLTUgMi4yNC01IDVzMi4yNCA1IDUgNWg0di0xLjlIN2MtMS43MSAwLTMuMS0xLjM5LTMuMS0zLjF6TTggMTNoOHYtMkg4djJ6bTktNmgtNHYxLjloNGMxLjcxIDAgMy4xIDEuMzkgMy4xIDMuMXMtMS4zOSAzLjEtMy4xIDMuMWgtNFYxN2g0YzIuNzYgMCA1LTIuMjQgNS01cy0yLjI0LTUtNS01eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-list: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICAgIDxwYXRoIGNsYXNzPSJqcC1pY29uMiBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xOSA1djE0SDVWNWgxNG0xLjEtMkgzLjljLS41IDAtLjkuNC0uOS45djE2LjJjMCAuNC40LjkuOS45aDE2LjJjLjQgMCAuOS0uNS45LS45VjMuOWMwLS41LS41LS45LS45LS45ek0xMSA3aDZ2MmgtNlY3em0wIDRoNnYyaC02di0yem0wIDRoNnYyaC02ek03IDdoMnYySDd6bTAgNGgydjJIN3ptMCA0aDJ2Mkg3eiIvPgo8L3N2Zz4K);
+  --jp-icon-markdown: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-down: url(data:image/svg+xml;base64,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);
+  --jp-icon-move-up: url(data:image/svg+xml;base64,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);
+  --jp-icon-new-folder: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIwIDZoLThsLTItMkg0Yy0xLjExIDAtMS45OS44OS0xLjk5IDJMMiAxOGMwIDEuMTEuODkgMiAyIDJoMTZjMS4xMSAwIDItLjg5IDItMlY4YzAtMS4xMS0uODktMi0yLTJ6bS0xIDhoLTN2M2gtMnYtM2gtM3YtMmgzVjloMnYzaDN2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-not-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-notebook: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtbm90ZWJvb2staWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiNFRjZDMDAiPgogICAgPHBhdGggZD0iTTE4LjcgMy4zdjE1LjRIMy4zVjMuM2gxNS40bTEuNS0xLjVIMS44djE4LjNoMTguM2wuMS0xOC4zeiIvPgogICAgPHBhdGggZD0iTTE2LjUgMTYuNWwtNS40LTQuMy01LjYgNC4zdi0xMWgxMXoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-numbering: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMjIiIGhlaWdodD0iMjIiIHZpZXdCb3g9IjAgMCAyOCAyOCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CgkJPHBhdGggZD0iTTQgMTlINlYxOS41SDVWMjAuNUg2VjIxSDRWMjJIN1YxOEg0VjE5Wk01IDEwSDZWNkg0VjdINVYxMFpNNCAxM0g1LjhMNCAxNS4xVjE2SDdWMTVINS4yTDcgMTIuOVYxMkg0VjEzWk05IDdWOUgyM1Y3SDlaTTkgMjFIMjNWMTlIOVYyMVpNOSAxNUgyM1YxM0g5VjE1WiIvPgoJPC9nPgo8L3N2Zz4K);
+  --jp-icon-offline-bolt: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDIuMDJjLTUuNTEgMC05Ljk4IDQuNDctOS45OCA5Ljk4czQuNDcgOS45OCA5Ljk4IDkuOTggOS45OC00LjQ3IDkuOTgtOS45OFMxNy41MSAyLjAyIDEyIDIuMDJ6TTExLjQ4IDIwdi02LjI2SDhMMTMgNHY2LjI2aDMuMzVMMTEuNDggMjB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-palette: url(data:image/svg+xml;base64,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);
+  --jp-icon-paste: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE5IDJoLTQuMThDMTQuNC44NCAxMy4zIDAgMTIgMGMtMS4zIDAtMi40Ljg0LTIuODIgMkg1Yy0xLjEgMC0yIC45LTIgMnYxNmMwIDEuMS45IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjRjMC0xLjEtLjktMi0yLTJ6bS03IDBjLjU1IDAgMSAuNDUgMSAxcy0uNDUgMS0xIDEtMS0uNDUtMS0xIC40NS0xIDEtMXptNyAxOEg1VjRoMnYzaDEwVjRoMnYxNnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-pdf: url(data:image/svg+xml;base64,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);
+  --jp-icon-python: url(data:image/svg+xml;base64,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);
+  --jp-icon-r-kernel: url(data:image/svg+xml;base64,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);
+  --jp-icon-react: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMTUwIDE1MCA1NDEuOSAyOTUuMyI+CiAgPGcgY2xhc3M9ImpwLWljb24tYnJhbmQyIGpwLWljb24tc2VsZWN0YWJsZSIgZmlsbD0iIzYxREFGQiI+CiAgICA8cGF0aCBkPSJNNjY2LjMgMjk2LjVjMC0zMi41LTQwLjctNjMuMy0xMDMuMS04Mi40IDE0LjQtNjMuNiA4LTExNC4yLTIwLjItMTMwLjQtNi41LTMuOC0xNC4xLTUuNi0yMi40LTUuNnYyMi4zYzQuNiAwIDguMy45IDExLjQgMi42IDEzLjYgNy44IDE5LjUgMzcuNSAxNC45IDc1LjctMS4xIDkuNC0yLjkgMTkuMy01LjEgMjkuNC0xOS42LTQuOC00MS04LjUtNjMuNS0xMC45LTEzLjUtMTguNS0yNy41LTM1LjMtNDEuNi01MCAzMi42LTMwLjMgNjMuMi00Ni45IDg0LTQ2LjlWNzhjLTI3LjUgMC02My41IDE5LjYtOTkuOSA1My42LTM2LjQtMzMuOC03Mi40LTUzLjItOTkuOS01My4ydjIyLjNjMjAuNyAwIDUxLjQgMTYuNSA4NCA0Ni42LTE0IDE0LjctMjggMzEuNC00MS4zIDQ5LjktMjIuNiAyLjQtNDQgNi4xLTYzLjYgMTEtMi4zLTEwLTQtMTkuNy01LjItMjktNC43LTM4LjIgMS4xLTY3LjkgMTQuNi03NS44IDMtMS44IDYuOS0yLjYgMTEuNS0yLjZWNzguNWMtOC40IDAtMTYgMS44LTIyLjYgNS42LTI4LjEgMTYuMi0zNC40IDY2LjctMTkuOSAxMzAuMS02Mi4yIDE5LjItMTAyLjcgNDkuOS0xMDIuNyA4Mi4zIDAgMzIuNSA0MC43IDYzLjMgMTAzLjEgODIuNC0xNC40IDYzLjYtOCAxMTQuMiAyMC4yIDEzMC40IDYuNSAzLjggMTQuMSA1LjYgMjIuNSA1LjYgMjcuNSAwIDYzLjUtMTkuNiA5OS45LTUzLjYgMzYuNCAzMy44IDcyLjQgNTMuMiA5OS45IDUzLjIgOC40IDAgMTYtMS44IDIyLjYtNS42IDI4LjEtMTYuMiAzNC40LTY2LjcgMTkuOS0xMzAuMSA2Mi0xOS4xIDEwMi41LTQ5LjkgMTAyLjUtODIuM3ptLTEzMC4yLTY2LjdjLTMuNyAxMi45LTguMyAyNi4yLTEzLjUgMzkuNS00LjEtOC04LjQtMTYtMTMuMS0yNC00LjYtOC05LjUtMTUuOC0xNC40LTIzLjQgMTQuMiAyLjEgMjcuOSA0LjcgNDEgNy45em0tNDUuOCAxMDYuNWMtNy44IDEzLjUtMTUuOCAyNi4zLTI0LjEgMzguMi0xNC45IDEuMy0zMCAyLTQ1LjIgMi0xNS4xIDAtMzAuMi0uNy00NS0xLjktOC4zLTExLjktMTYuNC0yNC42LTI0LjItMzgtNy42LTEzLjEtMTQuNS0yNi40LTIwLjgtMzkuOCA2LjItMTMuNCAxMy4yLTI2LjggMjAuNy0zOS45IDcuOC0xMy41IDE1LjgtMjYuMyAyNC4xLTM4LjIgMTQuOS0xLjMgMzAtMiA0NS4yLTIgMTUuMSAwIDMwLjIuNyA0NSAxLjkgOC4zIDExLjkgMTYuNCAyNC42IDI0LjIgMzggNy42IDEzLjEgMTQuNSAyNi40IDIwLjggMzkuOC02LjMgMTMuNC0xMy4yIDI2LjgtMjAuNyAzOS45em0zMi4zLTEzYzUuNCAxMy40IDEwIDI2LjggMTMuOCAzOS44LTEzLjEgMy4yLTI2LjkgNS45LTQxLjIgOCA0LjktNy43IDkuOC0xNS42IDE0LjQtMjMuNyA0LjYtOCA4LjktMTYuMSAxMy0yNC4xek00MjEuMiA0MzBjLTkuMy05LjYtMTguNi0yMC4zLTI3LjgtMzIgOSAuNCAxOC4yLjcgMjcuNS43IDkuNCAwIDE4LjctLjIgMjcuOC0uNy05IDExLjctMTguMyAyMi40LTI3LjUgMzJ6bS03NC40LTU4LjljLTE0LjItMi4xLTI3LjktNC43LTQxLTcuOSAzLjctMTIuOSA4LjMtMjYuMiAxMy41LTM5LjUgNC4xIDggOC40IDE2IDEzLjEgMjQgNC43IDggOS41IDE1LjggMTQuNCAyMy40ek00MjAuNyAxNjNjOS4zIDkuNiAxOC42IDIwLjMgMjcuOCAzMi05LS40LTE4LjItLjctMjcuNS0uNy05LjQgMC0xOC43LjItMjcuOC43IDktMTEuNyAxOC4zLTIyLjQgMjcuNS0zMnptLTc0IDU4LjljLTQuOSA3LjctOS44IDE1LjYtMTQuNCAyMy43LTQuNiA4LTguOSAxNi0xMyAyNC01LjQtMTMuNC0xMC0yNi44LTEzLjgtMzkuOCAxMy4xLTMuMSAyNi45LTUuOCA0MS4yLTcuOXptLTkwLjUgMTI1LjJjLTM1LjQtMTUuMS01OC4zLTM0LjktNTguMy01MC42IDAtMTUuNyAyMi45LTM1LjYgNTguMy01MC42IDguNi0zLjcgMTgtNyAyNy43LTEwLjEgNS43IDE5LjYgMTMuMiA0MCAyMi41IDYwLjktOS4yIDIwLjgtMTYuNiA0MS4xLTIyLjIgNjAuNi05LjktMy4xLTE5LjMtNi41LTI4LTEwLjJ6TTMxMCA0OTBjLTEzLjYtNy44LTE5LjUtMzcuNS0xNC45LTc1LjcgMS4xLTkuNCAyLjktMTkuMyA1LjEtMjkuNCAxOS42IDQuOCA0MSA4LjUgNjMuNSAxMC45IDEzLjUgMTguNSAyNy41IDM1LjMgNDEuNiA1MC0zMi42IDMwLjMtNjMuMiA0Ni45LTg0IDQ2LjktNC41LS4xLTguMy0xLTExLjMtMi43em0yMzcuMi03Ni4yYzQuNyAzOC4yLTEuMSA2Ny45LTE0LjYgNzUuOC0zIDEuOC02LjkgMi42LTExLjUgMi42LTIwLjcgMC01MS40LTE2LjUtODQtNDYuNiAxNC0xNC43IDI4LTMxLjQgNDEuMy00OS45IDIyLjYtMi40IDQ0LTYuMSA2My42LTExIDIuMyAxMC4xIDQuMSAxOS44IDUuMiAyOS4xem0zOC41LTY2LjdjLTguNiAzLjctMTggNy0yNy43IDEwLjEtNS43LTE5LjYtMTMuMi00MC0yMi41LTYwLjkgOS4yLTIwLjggMTYuNi00MS4xIDIyLjItNjAuNiA5LjkgMy4xIDE5LjMgNi41IDI4LjEgMTAuMiAzNS40IDE1LjEgNTguMyAzNC45IDU4LjMgNTAuNi0uMSAxNS43LTIzIDM1LjYtNTguNCA1MC42ek0zMjAuOCA3OC40eiIvPgogICAgPGNpcmNsZSBjeD0iNDIwLjkiIGN5PSIyOTYuNSIgcj0iNDUuNyIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
+  --jp-icon-regex: url(data:image/svg+xml;base64,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);
+  --jp-icon-run: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTggNXYxNGwxMS03eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-search: url(data:image/svg+xml;base64,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);
+  --jp-icon-settings: url(data:image/svg+xml;base64,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);
+  --jp-icon-share: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTSAxOCAyIEMgMTYuMzU0OTkgMiAxNSAzLjM1NDk5MDQgMTUgNSBDIDE1IDUuMTkwOTUyOSAxNS4wMjE3OTEgNS4zNzcxMjI0IDE1LjA1NjY0MSA1LjU1ODU5MzggTCA3LjkyMTg3NSA5LjcyMDcwMzEgQyA3LjM5ODUzOTkgOS4yNzc4NTM5IDYuNzMyMDc3MSA5IDYgOSBDIDQuMzU0OTkwNCA5IDMgMTAuMzU0OTkgMyAxMiBDIDMgMTMuNjQ1MDEgNC4zNTQ5OTA0IDE1IDYgMTUgQyA2LjczMjA3NzEgMTUgNy4zOTg1Mzk5IDE0LjcyMjE0NiA3LjkyMTg3NSAxNC4yNzkyOTcgTCAxNS4wNTY2NDEgMTguNDM5NDUzIEMgMTUuMDIxNTU1IDE4LjYyMTUxNCAxNSAxOC44MDgzODYgMTUgMTkgQyAxNSAyMC42NDUwMSAxNi4zNTQ5OSAyMiAxOCAyMiBDIDE5LjY0NTAxIDIyIDIxIDIwLjY0NTAxIDIxIDE5IEMgMjEgMTcuMzU0OTkgMTkuNjQ1MDEgMTYgMTggMTYgQyAxNy4yNjc0OCAxNiAxNi42MDE1OTMgMTYuMjc5MzI4IDE2LjA3ODEyNSAxNi43MjI2NTYgTCA4Ljk0MzM1OTQgMTIuNTU4NTk0IEMgOC45NzgyMDk1IDEyLjM3NzEyMiA5IDEyLjE5MDk1MyA5IDEyIEMgOSAxMS44MDkwNDcgOC45NzgyMDk1IDExLjYyMjg3OCA4Ljk0MzM1OTQgMTEuNDQxNDA2IEwgMTYuMDc4MTI1IDcuMjc5Mjk2OSBDIDE2LjYwMTQ2IDcuNzIyMTQ2MSAxNy4yNjc5MjMgOCAxOCA4IEMgMTkuNjQ1MDEgOCAyMSA2LjY0NTAwOTYgMjEgNSBDIDIxIDMuMzU0OTkwNCAxOS42NDUwMSAyIDE4IDIgeiBNIDE4IDQgQyAxOC41NjQxMjkgNCAxOSA0LjQzNTg3MDYgMTkgNSBDIDE5IDUuNTY0MTI5NCAxOC41NjQxMjkgNiAxOCA2IEMgMTcuNDM1ODcxIDYgMTcgNS41NjQxMjk0IDE3IDUgQyAxNyA0LjQzNTg3MDYgMTcuNDM1ODcxIDQgMTggNCB6IE0gNiAxMSBDIDYuNTY0MTI5NCAxMSA3IDExLjQzNTg3MSA3IDEyIEMgNyAxMi41NjQxMjkgNi41NjQxMjk0IDEzIDYgMTMgQyA1LjQzNTg3MDYgMTMgNSAxMi41NjQxMjkgNSAxMiBDIDUgMTEuNDM1ODcxIDUuNDM1ODcwNiAxMSA2IDExIHogTSAxOCAxOCBDIDE4LjU2NDEyOSAxOCAxOSAxOC40MzU4NzEgMTkgMTkgQyAxOSAxOS41NjQxMjkgMTguNTY0MTI5IDIwIDE4IDIwIEMgMTcuNDM1ODcxIDIwIDE3IDE5LjU2NDEyOSAxNyAxOSBDIDE3IDE4LjQzNTg3MSAxNy40MzU4NzEgMTggMTggMTggeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
+  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-tag: url(data:image/svg+xml;base64,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);
+  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
+  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtdGV4dC1lZGl0b3ItaWNvbi1jb2xvciBqcC1pY29uLXNlbGVjdGFibGUiIGZpbGw9IiM2MTYxNjEiIGQ9Ik0xNSAxNUgzdjJoMTJ2LTJ6bTAtOEgzdjJoMTJWN3pNMyAxM2gxOHYtMkgzdjJ6bTAgOGgxOHYtMkgzdjJ6TTMgM3YyaDE4VjNIM3oiLz4KPC9zdmc+Cg==);
+  --jp-icon-toc: url(data:image/svg+xml;base64,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);
+  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4K);
+  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
+  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-user: url(data:image/svg+xml;base64,PHN2ZyB3aWR0aD0iMTYiIHZpZXdCb3g9IjAgMCAyNCAyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE2IDdhNCA0IDAgMTEtOCAwIDQgNCAwIDAxOCAwek0xMiAxNGE3IDcgMCAwMC03IDdoMTRhNyA3IDAgMDAtNy03eiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-users: url(data:image/svg+xml;base64,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);
+  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
+  --jp-icon-word: url(data:image/svg+xml;base64,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);
+  --jp-icon-yaml: url(data:image/svg+xml;base64,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);
+}
 
-.bp3-icon-comparison::before{
-  content:""; }
+/* Icon CSS class declarations */
 
-.bp3-icon-compass::before{
-  content:""; }
+.jp-AddAboveIcon {
+  background-image: var(--jp-icon-add-above);
+}
 
-.bp3-icon-compressed::before{
-  content:""; }
+.jp-AddBelowIcon {
+  background-image: var(--jp-icon-add-below);
+}
 
-.bp3-icon-confirm::before{
-  content:""; }
+.jp-AddIcon {
+  background-image: var(--jp-icon-add);
+}
 
-.bp3-icon-console::before{
-  content:""; }
+.jp-BellIcon {
+  background-image: var(--jp-icon-bell);
+}
 
-.bp3-icon-contrast::before{
-  content:""; }
+.jp-BugDotIcon {
+  background-image: var(--jp-icon-bug-dot);
+}
 
-.bp3-icon-control::before{
-  content:""; }
+.jp-BugIcon {
+  background-image: var(--jp-icon-bug);
+}
 
-.bp3-icon-credit-card::before{
-  content:""; }
+.jp-BuildIcon {
+  background-image: var(--jp-icon-build);
+}
 
-.bp3-icon-cross::before{
-  content:"✗"; }
+.jp-CaretDownEmptyIcon {
+  background-image: var(--jp-icon-caret-down-empty);
+}
 
-.bp3-icon-crown::before{
-  content:""; }
+.jp-CaretDownEmptyThinIcon {
+  background-image: var(--jp-icon-caret-down-empty-thin);
+}
 
-.bp3-icon-cube::before{
-  content:""; }
+.jp-CaretDownIcon {
+  background-image: var(--jp-icon-caret-down);
+}
 
-.bp3-icon-cube-add::before{
-  content:""; }
+.jp-CaretLeftIcon {
+  background-image: var(--jp-icon-caret-left);
+}
 
-.bp3-icon-cube-remove::before{
-  content:""; }
+.jp-CaretRightIcon {
+  background-image: var(--jp-icon-caret-right);
+}
 
-.bp3-icon-curved-range-chart::before{
-  content:""; }
+.jp-CaretUpEmptyThinIcon {
+  background-image: var(--jp-icon-caret-up-empty-thin);
+}
 
-.bp3-icon-cut::before{
-  content:""; }
+.jp-CaretUpIcon {
+  background-image: var(--jp-icon-caret-up);
+}
 
-.bp3-icon-dashboard::before{
-  content:""; }
+.jp-CaseSensitiveIcon {
+  background-image: var(--jp-icon-case-sensitive);
+}
 
-.bp3-icon-data-lineage::before{
-  content:""; }
+.jp-CheckIcon {
+  background-image: var(--jp-icon-check);
+}
 
-.bp3-icon-database::before{
-  content:""; }
+.jp-CircleEmptyIcon {
+  background-image: var(--jp-icon-circle-empty);
+}
 
-.bp3-icon-delete::before{
-  content:""; }
+.jp-CircleIcon {
+  background-image: var(--jp-icon-circle);
+}
 
-.bp3-icon-delta::before{
-  content:"Δ"; }
+.jp-ClearIcon {
+  background-image: var(--jp-icon-clear);
+}
 
-.bp3-icon-derive-column::before{
-  content:""; }
+.jp-CloseIcon {
+  background-image: var(--jp-icon-close);
+}
 
-.bp3-icon-desktop::before{
-  content:""; }
+.jp-CodeCheckIcon {
+  background-image: var(--jp-icon-code-check);
+}
 
-.bp3-icon-diagnosis::before{
-  content:""; }
+.jp-CodeIcon {
+  background-image: var(--jp-icon-code);
+}
 
-.bp3-icon-diagram-tree::before{
-  content:""; }
+.jp-CollapseAllIcon {
+  background-image: var(--jp-icon-collapse-all);
+}
 
-.bp3-icon-direction-left::before{
-  content:""; }
+.jp-ConsoleIcon {
+  background-image: var(--jp-icon-console);
+}
 
-.bp3-icon-direction-right::before{
-  content:""; }
+.jp-CopyIcon {
+  background-image: var(--jp-icon-copy);
+}
 
-.bp3-icon-disable::before{
-  content:""; }
+.jp-CopyrightIcon {
+  background-image: var(--jp-icon-copyright);
+}
 
-.bp3-icon-document::before{
-  content:""; }
+.jp-CutIcon {
+  background-image: var(--jp-icon-cut);
+}
 
-.bp3-icon-document-open::before{
-  content:""; }
+.jp-DeleteIcon {
+  background-image: var(--jp-icon-delete);
+}
 
-.bp3-icon-document-share::before{
-  content:""; }
+.jp-DownloadIcon {
+  background-image: var(--jp-icon-download);
+}
 
-.bp3-icon-dollar::before{
-  content:"$"; }
+.jp-DuplicateIcon {
+  background-image: var(--jp-icon-duplicate);
+}
 
-.bp3-icon-dot::before{
-  content:"•"; }
+.jp-EditIcon {
+  background-image: var(--jp-icon-edit);
+}
 
-.bp3-icon-double-caret-horizontal::before{
-  content:""; }
+.jp-EllipsesIcon {
+  background-image: var(--jp-icon-ellipses);
+}
 
-.bp3-icon-double-caret-vertical::before{
-  content:""; }
+.jp-ErrorIcon {
+  background-image: var(--jp-icon-error);
+}
 
-.bp3-icon-double-chevron-down::before{
-  content:""; }
+.jp-ExpandAllIcon {
+  background-image: var(--jp-icon-expand-all);
+}
 
-.bp3-icon-double-chevron-left::before{
-  content:""; }
+.jp-ExtensionIcon {
+  background-image: var(--jp-icon-extension);
+}
 
-.bp3-icon-double-chevron-right::before{
-  content:""; }
+.jp-FastForwardIcon {
+  background-image: var(--jp-icon-fast-forward);
+}
 
-.bp3-icon-double-chevron-up::before{
-  content:""; }
+.jp-FileIcon {
+  background-image: var(--jp-icon-file);
+}
 
-.bp3-icon-doughnut-chart::before{
-  content:""; }
+.jp-FileUploadIcon {
+  background-image: var(--jp-icon-file-upload);
+}
 
-.bp3-icon-download::before{
-  content:""; }
+.jp-FilterDotIcon {
+  background-image: var(--jp-icon-filter-dot);
+}
 
-.bp3-icon-drag-handle-horizontal::before{
-  content:""; }
+.jp-FilterIcon {
+  background-image: var(--jp-icon-filter);
+}
 
-.bp3-icon-drag-handle-vertical::before{
-  content:""; }
+.jp-FilterListIcon {
+  background-image: var(--jp-icon-filter-list);
+}
 
-.bp3-icon-draw::before{
-  content:""; }
+.jp-FolderFavoriteIcon {
+  background-image: var(--jp-icon-folder-favorite);
+}
 
-.bp3-icon-drive-time::before{
-  content:""; }
+.jp-FolderIcon {
+  background-image: var(--jp-icon-folder);
+}
 
-.bp3-icon-duplicate::before{
-  content:""; }
+.jp-HomeIcon {
+  background-image: var(--jp-icon-home);
+}
 
-.bp3-icon-edit::before{
-  content:"✎"; }
+.jp-Html5Icon {
+  background-image: var(--jp-icon-html5);
+}
 
-.bp3-icon-eject::before{
-  content:"⏏"; }
+.jp-ImageIcon {
+  background-image: var(--jp-icon-image);
+}
 
-.bp3-icon-endorsed::before{
-  content:""; }
+.jp-InfoIcon {
+  background-image: var(--jp-icon-info);
+}
 
-.bp3-icon-envelope::before{
-  content:"✉"; }
+.jp-InspectorIcon {
+  background-image: var(--jp-icon-inspector);
+}
 
-.bp3-icon-equals::before{
-  content:""; }
+.jp-JsonIcon {
+  background-image: var(--jp-icon-json);
+}
 
-.bp3-icon-eraser::before{
-  content:""; }
+.jp-JuliaIcon {
+  background-image: var(--jp-icon-julia);
+}
 
-.bp3-icon-error::before{
-  content:""; }
+.jp-JupyterFaviconIcon {
+  background-image: var(--jp-icon-jupyter-favicon);
+}
 
-.bp3-icon-euro::before{
-  content:"€"; }
+.jp-JupyterIcon {
+  background-image: var(--jp-icon-jupyter);
+}
 
-.bp3-icon-exchange::before{
-  content:""; }
+.jp-JupyterlabWordmarkIcon {
+  background-image: var(--jp-icon-jupyterlab-wordmark);
+}
 
-.bp3-icon-exclude-row::before{
-  content:""; }
+.jp-KernelIcon {
+  background-image: var(--jp-icon-kernel);
+}
 
-.bp3-icon-expand-all::before{
-  content:""; }
+.jp-KeyboardIcon {
+  background-image: var(--jp-icon-keyboard);
+}
 
-.bp3-icon-export::before{
-  content:""; }
+.jp-LaunchIcon {
+  background-image: var(--jp-icon-launch);
+}
 
-.bp3-icon-eye-off::before{
-  content:""; }
+.jp-LauncherIcon {
+  background-image: var(--jp-icon-launcher);
+}
 
-.bp3-icon-eye-on::before{
-  content:""; }
+.jp-LineFormIcon {
+  background-image: var(--jp-icon-line-form);
+}
 
-.bp3-icon-eye-open::before{
-  content:""; }
+.jp-LinkIcon {
+  background-image: var(--jp-icon-link);
+}
 
-.bp3-icon-fast-backward::before{
-  content:""; }
+.jp-ListIcon {
+  background-image: var(--jp-icon-list);
+}
 
-.bp3-icon-fast-forward::before{
-  content:""; }
+.jp-MarkdownIcon {
+  background-image: var(--jp-icon-markdown);
+}
 
-.bp3-icon-feed::before{
-  content:""; }
+.jp-MoveDownIcon {
+  background-image: var(--jp-icon-move-down);
+}
 
-.bp3-icon-feed-subscribed::before{
-  content:""; }
+.jp-MoveUpIcon {
+  background-image: var(--jp-icon-move-up);
+}
 
-.bp3-icon-film::before{
-  content:""; }
+.jp-NewFolderIcon {
+  background-image: var(--jp-icon-new-folder);
+}
 
-.bp3-icon-filter::before{
-  content:""; }
+.jp-NotTrustedIcon {
+  background-image: var(--jp-icon-not-trusted);
+}
 
-.bp3-icon-filter-keep::before{
-  content:""; }
+.jp-NotebookIcon {
+  background-image: var(--jp-icon-notebook);
+}
 
-.bp3-icon-filter-list::before{
-  content:""; }
+.jp-NumberingIcon {
+  background-image: var(--jp-icon-numbering);
+}
 
-.bp3-icon-filter-open::before{
-  content:""; }
+.jp-OfflineBoltIcon {
+  background-image: var(--jp-icon-offline-bolt);
+}
 
-.bp3-icon-filter-remove::before{
-  content:""; }
+.jp-PaletteIcon {
+  background-image: var(--jp-icon-palette);
+}
 
-.bp3-icon-flag::before{
-  content:"⚑"; }
+.jp-PasteIcon {
+  background-image: var(--jp-icon-paste);
+}
 
-.bp3-icon-flame::before{
-  content:""; }
+.jp-PdfIcon {
+  background-image: var(--jp-icon-pdf);
+}
 
-.bp3-icon-flash::before{
-  content:""; }
+.jp-PythonIcon {
+  background-image: var(--jp-icon-python);
+}
 
-.bp3-icon-floppy-disk::before{
-  content:""; }
+.jp-RKernelIcon {
+  background-image: var(--jp-icon-r-kernel);
+}
 
-.bp3-icon-flow-branch::before{
-  content:""; }
+.jp-ReactIcon {
+  background-image: var(--jp-icon-react);
+}
 
-.bp3-icon-flow-end::before{
-  content:""; }
+.jp-RedoIcon {
+  background-image: var(--jp-icon-redo);
+}
 
-.bp3-icon-flow-linear::before{
-  content:""; }
+.jp-RefreshIcon {
+  background-image: var(--jp-icon-refresh);
+}
 
-.bp3-icon-flow-review::before{
-  content:""; }
+.jp-RegexIcon {
+  background-image: var(--jp-icon-regex);
+}
 
-.bp3-icon-flow-review-branch::before{
-  content:""; }
+.jp-RunIcon {
+  background-image: var(--jp-icon-run);
+}
 
-.bp3-icon-flows::before{
-  content:""; }
+.jp-RunningIcon {
+  background-image: var(--jp-icon-running);
+}
 
-.bp3-icon-folder-close::before{
-  content:""; }
+.jp-SaveIcon {
+  background-image: var(--jp-icon-save);
+}
 
-.bp3-icon-folder-new::before{
-  content:""; }
+.jp-SearchIcon {
+  background-image: var(--jp-icon-search);
+}
 
-.bp3-icon-folder-open::before{
-  content:""; }
+.jp-SettingsIcon {
+  background-image: var(--jp-icon-settings);
+}
 
-.bp3-icon-folder-shared::before{
-  content:""; }
+.jp-ShareIcon {
+  background-image: var(--jp-icon-share);
+}
 
-.bp3-icon-folder-shared-open::before{
-  content:""; }
+.jp-SpreadsheetIcon {
+  background-image: var(--jp-icon-spreadsheet);
+}
 
-.bp3-icon-follower::before{
-  content:""; }
+.jp-StopIcon {
+  background-image: var(--jp-icon-stop);
+}
 
-.bp3-icon-following::before{
-  content:""; }
+.jp-TabIcon {
+  background-image: var(--jp-icon-tab);
+}
 
-.bp3-icon-font::before{
-  content:""; }
+.jp-TableRowsIcon {
+  background-image: var(--jp-icon-table-rows);
+}
 
-.bp3-icon-fork::before{
-  content:""; }
+.jp-TagIcon {
+  background-image: var(--jp-icon-tag);
+}
 
-.bp3-icon-form::before{
-  content:""; }
+.jp-TerminalIcon {
+  background-image: var(--jp-icon-terminal);
+}
 
-.bp3-icon-full-circle::before{
-  content:""; }
+.jp-TextEditorIcon {
+  background-image: var(--jp-icon-text-editor);
+}
 
-.bp3-icon-full-stacked-chart::before{
-  content:""; }
+.jp-TocIcon {
+  background-image: var(--jp-icon-toc);
+}
 
-.bp3-icon-fullscreen::before{
-  content:""; }
+.jp-TreeViewIcon {
+  background-image: var(--jp-icon-tree-view);
+}
 
-.bp3-icon-function::before{
-  content:""; }
+.jp-TrustedIcon {
+  background-image: var(--jp-icon-trusted);
+}
 
-.bp3-icon-gantt-chart::before{
-  content:""; }
+.jp-UndoIcon {
+  background-image: var(--jp-icon-undo);
+}
 
-.bp3-icon-geolocation::before{
-  content:""; }
+.jp-UserIcon {
+  background-image: var(--jp-icon-user);
+}
 
-.bp3-icon-geosearch::before{
-  content:""; }
+.jp-UsersIcon {
+  background-image: var(--jp-icon-users);
+}
 
-.bp3-icon-git-branch::before{
-  content:""; }
+.jp-VegaIcon {
+  background-image: var(--jp-icon-vega);
+}
 
-.bp3-icon-git-commit::before{
-  content:""; }
+.jp-WordIcon {
+  background-image: var(--jp-icon-word);
+}
 
-.bp3-icon-git-merge::before{
-  content:""; }
+.jp-YamlIcon {
+  background-image: var(--jp-icon-yaml);
+}
 
-.bp3-icon-git-new-branch::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-git-pull::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for consuming icons as CSS background images
+ */
 
-.bp3-icon-git-push::before{
-  content:""; }
+.jp-Icon,
+.jp-MaterialIcon {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-git-repo::before{
-  content:""; }
+.jp-Icon-cover {
+  background-position: center;
+  background-repeat: no-repeat;
+  background-size: cover;
+}
 
-.bp3-icon-glass::before{
-  content:""; }
+/**
+ * (DEPRECATED) Support for specific CSS icon sizes
+ */
 
-.bp3-icon-globe::before{
-  content:""; }
+.jp-Icon-16 {
+  background-size: 16px;
+  min-width: 16px;
+  min-height: 16px;
+}
 
-.bp3-icon-globe-network::before{
-  content:""; }
+.jp-Icon-18 {
+  background-size: 18px;
+  min-width: 18px;
+  min-height: 18px;
+}
 
-.bp3-icon-graph::before{
-  content:""; }
+.jp-Icon-20 {
+  background-size: 20px;
+  min-width: 20px;
+  min-height: 20px;
+}
 
-.bp3-icon-graph-remove::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-greater-than::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton {
+  align-items: center;
+  display: flex;
+  padding: 4px;
+  padding-bottom: 5px;
+  margin-right: 1px;
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-greater-than-or-equal-to::before{
-  content:""; }
+.lm-TabBar .lm-TabBar-addButton:hover {
+  background-color: var(--jp-layout-color1);
+}
 
-.bp3-icon-grid::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-tab {
+  width: var(--jp-private-horizontal-tab-width);
+}
 
-.bp3-icon-grid-view::before{
-  content:""; }
+.lm-DockPanel-tabBar .lm-TabBar-content {
+  flex: unset;
+}
 
-.bp3-icon-group-objects::before{
-  content:""; }
+.lm-DockPanel-tabBar[data-orientation='horizontal'] {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-grouped-bar-chart::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-hand::before{
-  content:""; }
+/**
+ * Support for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-hand-down::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-hand-left::before{
-  content:""; }
+.jp-icon1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-hand-right::before{
-  content:""; }
+.jp-icon2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-hand-up::before{
-  content:""; }
+.jp-icon3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-header::before{
-  content:""; }
+.jp-icon4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-header-one::before{
-  content:""; }
+.jp-icon0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-header-two::before{
-  content:""; }
+.jp-icon1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-headset::before{
-  content:""; }
+.jp-icon2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-heart::before{
-  content:"♥"; }
+.jp-icon3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-heart-broken::before{
-  content:""; }
+.jp-icon4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-heat-grid::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-accent0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-heatmap::before{
-  content:""; }
+.jp-icon-accent1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-help::before{
-  content:"?"; }
+.jp-icon-accent2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-helper-management::before{
-  content:""; }
+.jp-icon-accent3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-highlight::before{
-  content:""; }
+.jp-icon-accent4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-history::before{
-  content:""; }
+.jp-icon-accent0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-home::before{
-  content:"⌂"; }
+.jp-icon-accent1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-horizontal-bar-chart::before{
-  content:""; }
+.jp-icon-accent2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-horizontal-bar-chart-asc::before{
-  content:""; }
+.jp-icon-accent3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-horizontal-bar-chart-desc::before{
-  content:""; }
+.jp-icon-accent4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-horizontal-distribution::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-none[fill] {
+  fill: none;
+}
 
-.bp3-icon-id-number::before{
-  content:""; }
+.jp-icon-none[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-image-rotate-left::before{
-  content:""; }
+/* brand icon colors. Same for light and dark */
+.jp-icon-brand0[fill] {
+  fill: var(--jp-brand-color0);
+}
 
-.bp3-icon-image-rotate-right::before{
-  content:""; }
+.jp-icon-brand1[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-import::before{
-  content:""; }
+.jp-icon-brand2[fill] {
+  fill: var(--jp-brand-color2);
+}
 
-.bp3-icon-inbox::before{
-  content:""; }
+.jp-icon-brand3[fill] {
+  fill: var(--jp-brand-color3);
+}
 
-.bp3-icon-inbox-filtered::before{
-  content:""; }
+.jp-icon-brand4[fill] {
+  fill: var(--jp-brand-color4);
+}
 
-.bp3-icon-inbox-geo::before{
-  content:""; }
+.jp-icon-brand0[stroke] {
+  stroke: var(--jp-brand-color0);
+}
 
-.bp3-icon-inbox-search::before{
-  content:""; }
+.jp-icon-brand1[stroke] {
+  stroke: var(--jp-brand-color1);
+}
 
-.bp3-icon-inbox-update::before{
-  content:""; }
+.jp-icon-brand2[stroke] {
+  stroke: var(--jp-brand-color2);
+}
 
-.bp3-icon-info-sign::before{
-  content:"ℹ"; }
+.jp-icon-brand3[stroke] {
+  stroke: var(--jp-brand-color3);
+}
 
-.bp3-icon-inheritance::before{
-  content:""; }
+.jp-icon-brand4[stroke] {
+  stroke: var(--jp-brand-color4);
+}
 
-.bp3-icon-inner-join::before{
-  content:""; }
+/* warn icon colors. Same for light and dark */
+.jp-icon-warn0[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-insert::before{
-  content:""; }
+.jp-icon-warn1[fill] {
+  fill: var(--jp-warn-color1);
+}
 
-.bp3-icon-intersection::before{
-  content:""; }
+.jp-icon-warn2[fill] {
+  fill: var(--jp-warn-color2);
+}
 
-.bp3-icon-ip-address::before{
-  content:""; }
+.jp-icon-warn3[fill] {
+  fill: var(--jp-warn-color3);
+}
 
-.bp3-icon-issue::before{
-  content:""; }
+.jp-icon-warn0[stroke] {
+  stroke: var(--jp-warn-color0);
+}
 
-.bp3-icon-issue-closed::before{
-  content:""; }
+.jp-icon-warn1[stroke] {
+  stroke: var(--jp-warn-color1);
+}
 
-.bp3-icon-issue-new::before{
-  content:""; }
+.jp-icon-warn2[stroke] {
+  stroke: var(--jp-warn-color2);
+}
 
-.bp3-icon-italic::before{
-  content:""; }
+.jp-icon-warn3[stroke] {
+  stroke: var(--jp-warn-color3);
+}
 
-.bp3-icon-join-table::before{
-  content:""; }
+/* icon colors that contrast well with each other and most backgrounds */
+.jp-icon-contrast0[fill] {
+  fill: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key::before{
-  content:""; }
+.jp-icon-contrast1[fill] {
+  fill: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-backspace::before{
-  content:""; }
+.jp-icon-contrast2[fill] {
+  fill: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-command::before{
-  content:""; }
+.jp-icon-contrast3[fill] {
+  fill: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-control::before{
-  content:""; }
-
-.bp3-icon-key-delete::before{
-  content:""; }
+.jp-icon-contrast0[stroke] {
+  stroke: var(--jp-icon-contrast-color0);
+}
 
-.bp3-icon-key-enter::before{
-  content:""; }
+.jp-icon-contrast1[stroke] {
+  stroke: var(--jp-icon-contrast-color1);
+}
 
-.bp3-icon-key-escape::before{
-  content:""; }
+.jp-icon-contrast2[stroke] {
+  stroke: var(--jp-icon-contrast-color2);
+}
 
-.bp3-icon-key-option::before{
-  content:""; }
+.jp-icon-contrast3[stroke] {
+  stroke: var(--jp-icon-contrast-color3);
+}
 
-.bp3-icon-key-shift::before{
-  content:""; }
+.jp-icon-dot[fill] {
+  fill: var(--jp-warn-color0);
+}
 
-.bp3-icon-key-tab::before{
-  content:""; }
+.jp-jupyter-icon-color[fill] {
+  fill: var(--jp-jupyter-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-known-vehicle::before{
-  content:""; }
+.jp-notebook-icon-color[fill] {
+  fill: var(--jp-notebook-icon-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-lab-test::before{
-  content:""; }
+.jp-json-icon-color[fill] {
+  fill: var(--jp-json-icon-color, var(--jp-warn-color1));
+}
 
-.bp3-icon-label::before{
-  content:""; }
+.jp-console-icon-color[fill] {
+  fill: var(--jp-console-icon-color, white);
+}
 
-.bp3-icon-layer::before{
-  content:""; }
+.jp-console-icon-background-color[fill] {
+  fill: var(--jp-console-icon-background-color, var(--jp-brand-color1));
+}
 
-.bp3-icon-layers::before{
-  content:""; }
+.jp-terminal-icon-color[fill] {
+  fill: var(--jp-terminal-icon-color, var(--jp-layout-color2));
+}
 
-.bp3-icon-layout::before{
-  content:""; }
+.jp-terminal-icon-background-color[fill] {
+  fill: var(
+    --jp-terminal-icon-background-color,
+    var(--jp-inverse-layout-color2)
+  );
+}
 
-.bp3-icon-layout-auto::before{
-  content:""; }
+.jp-text-editor-icon-color[fill] {
+  fill: var(--jp-text-editor-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-balloon::before{
-  content:""; }
+.jp-inspector-icon-color[fill] {
+  fill: var(--jp-inspector-icon-color, var(--jp-inverse-layout-color3));
+}
 
-.bp3-icon-layout-circle::before{
-  content:""; }
+/* CSS for icons in selected filebrowser listing items */
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-layout-grid::before{
-  content:""; }
+.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-layout-group-by::before{
-  content:""; }
+/* stylelint-disable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-hierarchy::before{
-  content:""; }
+/**
+* TODO: come up with non css-hack solution for showing the busy icon on top
+*  of the close icon
+* CSS for complex behavior of close icon of tabs in the main area tabbar
+*/
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon3[fill] {
+  fill: none;
+}
 
-.bp3-icon-layout-linear::before{
-  content:""; }
+.lm-DockPanel-tabBar
+  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
+  > .lm-TabBar-tabCloseIcon
+  > :not(:hover)
+  > .jp-icon-busy[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-layout-skew-grid::before{
-  content:""; }
+/* stylelint-enable selector-max-class, selector-max-compound-selectors */
 
-.bp3-icon-layout-sorted-clusters::before{
-  content:""; }
+/* CSS for icons in status bar */
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
+  fill: #fff;
+}
 
-.bp3-icon-learning::before{
-  content:""; }
+#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
+  fill: var(--jp-brand-color1);
+}
 
-.bp3-icon-left-join::before{
-  content:""; }
+/* special handling for splash icon CSS. While the theme CSS reloads during
+   splash, the splash icon can loose theming. To prevent that, we set a
+   default for its color variable */
+:root {
+  --jp-warn-color0: var(--md-orange-700);
+}
 
-.bp3-icon-less-than::before{
-  content:""; }
+/* not sure what to do with this one, used in filebrowser listing */
+.jp-DragIcon {
+  margin-right: 4px;
+}
 
-.bp3-icon-less-than-or-equal-to::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-lifesaver::before{
-  content:""; }
+/**
+ * Support for alt colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-lightbulb::before{
-  content:""; }
+/* alt recolor the primary elements of an icon */
+.jp-icon-alt .jp-icon0[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-link::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-list::before{
-  content:"☰"; }
+.jp-icon-alt .jp-icon2[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-list-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-list-detail-view::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-locate::before{
-  content:""; }
+.jp-icon-alt .jp-icon0[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-lock::before{
-  content:""; }
+.jp-icon-alt .jp-icon1[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-log-in::before{
-  content:""; }
+.jp-icon-alt .jp-icon2[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-log-out::before{
-  content:""; }
+.jp-icon-alt .jp-icon3[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-manual::before{
-  content:""; }
+.jp-icon-alt .jp-icon4[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-manually-entered-data::before{
-  content:""; }
+/* alt recolor the accent elements of an icon */
+.jp-icon-alt .jp-icon-accent0[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-map::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-map-create::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-map-marker::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-maximize::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-media::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent0[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-menu::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent1[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-menu-closed::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent2[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-menu-open::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent3[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-merge-columns::before{
-  content:""; }
+.jp-icon-alt .jp-icon-accent4[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-merge-links::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-minimize::before{
-  content:""; }
+.jp-icon-hoverShow:not(:hover) .jp-icon-hoverShow-content {
+  display: none !important;
+}
 
-.bp3-icon-minus::before{
-  content:"−"; }
+/**
+ * Support for hover colors for icons as inline SVG HTMLElements
+ */
 
-.bp3-icon-mobile-phone::before{
-  content:""; }
+/**
+ * regular colors
+ */
 
-.bp3-icon-mobile-video::before{
-  content:""; }
+/* recolor the primary elements of an icon */
+.jp-icon-hover :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-moon::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-more::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-mountain::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-move::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-mugshot::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-multi-select::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-music::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-new-drawing::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-new-grid-item::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-new-layer::before{
-  content:""; }
+/* recolor the accent elements of an icon */
+.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-layers::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-new-link::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-new-object::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-new-person::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-new-prescription::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-new-text-box::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-ninja::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-not-equal-to::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-notifications::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-notifications-updated::before{
-  content:""; }
+/* set the color of an icon to transparent */
+.jp-icon-hover :hover .jp-icon-none-hover[fill] {
+  fill: none;
+}
 
-.bp3-icon-numbered-list::before{
-  content:""; }
+.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
+  stroke: none;
+}
 
-.bp3-icon-numerical::before{
-  content:""; }
+/**
+ * inverse colors
+ */
 
-.bp3-icon-office::before{
-  content:""; }
+/* inverse recolor the primary elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
+  fill: var(--jp-layout-color0);
+}
 
-.bp3-icon-offline::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
+  fill: var(--jp-layout-color1);
+}
 
-.bp3-icon-oil-field::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
+  fill: var(--jp-layout-color2);
+}
 
-.bp3-icon-one-column::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
+  fill: var(--jp-layout-color3);
+}
 
-.bp3-icon-outdated::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
+  fill: var(--jp-layout-color4);
+}
 
-.bp3-icon-page-layout::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
+  stroke: var(--jp-layout-color0);
+}
 
-.bp3-icon-panel-stats::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
+  stroke: var(--jp-layout-color1);
+}
 
-.bp3-icon-panel-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
+  stroke: var(--jp-layout-color2);
+}
 
-.bp3-icon-paperclip::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
+  stroke: var(--jp-layout-color3);
+}
 
-.bp3-icon-paragraph::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
+  stroke: var(--jp-layout-color4);
+}
 
-.bp3-icon-path::before{
-  content:""; }
+/* inverse recolor the accent elements of an icon */
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
+  fill: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-path-search::before{
-  content:""; }
-
-.bp3-icon-pause::before{
-  content:""; }
-
-.bp3-icon-people::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
+  fill: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-percentage::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
+  fill: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-person::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
+  fill: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-phone::before{
-  content:"☎"; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
+  fill: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-pie-chart::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color0);
+}
 
-.bp3-icon-pin::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color1);
+}
 
-.bp3-icon-pivot::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color2);
+}
 
-.bp3-icon-pivot-table::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color3);
+}
 
-.bp3-icon-play::before{
-  content:""; }
+.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
+  stroke: var(--jp-inverse-layout-color4);
+}
 
-.bp3-icon-plus::before{
-  content:"+"; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-polygon-filter::before{
-  content:""; }
+.jp-IFrame {
+  width: 100%;
+  height: 100%;
+}
 
-.bp3-icon-power::before{
-  content:""; }
+.jp-IFrame > iframe {
+  border: none;
+}
 
-.bp3-icon-predictive-analysis::before{
-  content:""; }
+/*
+When drag events occur, `lm-mod-override-cursor` is added to the body.
+Because iframes steal all cursor events, the following two rules are necessary
+to suppress pointer events while resize drags are occurring. There may be a
+better solution to this problem.
+*/
+body.lm-mod-override-cursor .jp-IFrame {
+  position: relative;
+}
 
-.bp3-icon-prescription::before{
-  content:""; }
+body.lm-mod-override-cursor .jp-IFrame::before {
+  content: '';
+  position: absolute;
+  top: 0;
+  left: 0;
+  right: 0;
+  bottom: 0;
+  background: transparent;
+}
 
-.bp3-icon-presentation::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-print::before{
-  content:"⎙"; }
+.jp-HoverBox {
+  position: fixed;
+}
 
-.bp3-icon-projects::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-properties::before{
-  content:""; }
+.jp-FormGroup-content fieldset {
+  border: none;
+  padding: 0;
+  min-width: 0;
+  width: 100%;
+}
 
-.bp3-icon-property::before{
-  content:""; }
+/* stylelint-disable selector-max-type */
 
-.bp3-icon-publish-function::before{
-  content:""; }
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper input,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper select,
+.jp-FormGroup-content fieldset .jp-inputFieldWrapper textarea {
+  font-size: var(--jp-content-font-size2);
+  border-color: var(--jp-input-border-color);
+  border-style: solid;
+  border-radius: var(--jp-border-radius);
+  border-width: 1px;
+  padding: 6px 8px;
+  background: none;
+  color: var(--jp-ui-font-color0);
+  height: inherit;
+}
 
-.bp3-icon-pulse::before{
-  content:""; }
+.jp-FormGroup-content fieldset input[type='checkbox'] {
+  position: relative;
+  top: 2px;
+  margin-left: 0;
+}
 
-.bp3-icon-random::before{
-  content:""; }
+.jp-FormGroup-content button.jp-mod-styled {
+  cursor: pointer;
+}
 
-.bp3-icon-record::before{
-  content:""; }
+.jp-FormGroup-content .checkbox label {
+  cursor: pointer;
+  font-size: var(--jp-content-font-size1);
+}
 
-.bp3-icon-redo::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > legend {
+  display: none;
+}
 
-.bp3-icon-refresh::before{
-  content:""; }
+.jp-FormGroup-content .jp-root > fieldset > p {
+  display: none;
+}
 
-.bp3-icon-regression-chart::before{
-  content:""; }
+/** copy of `input.jp-mod-styled:focus` style */
+.jp-FormGroup-content fieldset input:focus,
+.jp-FormGroup-content fieldset select:focus {
+  -moz-outline-radius: unset;
+  outline: var(--jp-border-width) solid var(--md-blue-500);
+  outline-offset: -1px;
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-remove::before{
-  content:""; }
+.jp-FormGroup-content fieldset input:hover:not(:focus),
+.jp-FormGroup-content fieldset select:hover:not(:focus) {
+  background-color: var(--jp-border-color2);
+}
 
-.bp3-icon-remove-column::before{
-  content:""; }
+/* stylelint-enable selector-max-type */
 
-.bp3-icon-remove-column-left::before{
-  content:""; }
+.jp-FormGroup-content .checkbox .field-description {
+  /* Disable default description field for checkbox:
+   because other widgets do not have description fields,
+   we add descriptions to each widget on the field level.
+  */
+  display: none;
+}
 
-.bp3-icon-remove-column-right::before{
-  content:""; }
+.jp-FormGroup-content #root__description {
+  display: none;
+}
 
-.bp3-icon-remove-row-bottom::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator {
+  width: 5px;
+  background-color: var(--jp-brand-color2);
+  margin-top: 0;
+  margin-left: calc(var(--jp-private-settingeditor-modifier-indent) * -1);
+  flex-shrink: 0;
+}
 
-.bp3-icon-remove-row-top::before{
-  content:""; }
+.jp-FormGroup-content .jp-modifiedIndicator.jp-errorIndicator {
+  background-color: var(--jp-error-color0);
+  margin-right: 0.5em;
+}
 
-.bp3-icon-repeat::before{
-  content:""; }
+/* RJSF ARRAY style */
 
-.bp3-icon-reset::before{
-  content:""; }
+.jp-arrayFieldWrapper legend {
+  font-size: var(--jp-content-font-size2);
+  color: var(--jp-ui-font-color0);
+  flex-basis: 100%;
+  padding: 4px 0;
+  font-weight: var(--jp-content-heading-font-weight);
+  border-bottom: 1px solid var(--jp-border-color2);
+}
 
-.bp3-icon-resolve::before{
-  content:""; }
+.jp-arrayFieldWrapper .field-description {
+  padding: 4px 0;
+  white-space: pre-wrap;
+}
 
-.bp3-icon-rig::before{
-  content:""; }
+.jp-arrayFieldWrapper .array-item {
+  width: 100%;
+  border: 1px solid var(--jp-border-color2);
+  border-radius: 4px;
+  margin: 4px;
+}
 
-.bp3-icon-right-join::before{
-  content:""; }
+.jp-ArrayOperations {
+  display: flex;
+  margin-left: 8px;
+}
 
-.bp3-icon-ring::before{
-  content:""; }
+.jp-ArrayOperationsButton {
+  margin: 2px;
+}
 
-.bp3-icon-rotate-document::before{
-  content:""; }
+.jp-ArrayOperationsButton .jp-icon3[fill] {
+  fill: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-rotate-page::before{
-  content:""; }
+button.jp-ArrayOperationsButton.jp-mod-styled:disabled {
+  cursor: not-allowed;
+  opacity: 0.5;
+}
 
-.bp3-icon-satellite::before{
-  content:""; }
+/* RJSF form validation error */
 
-.bp3-icon-saved::before{
-  content:""; }
+.jp-FormGroup-content .validationErrors {
+  color: var(--jp-error-color0);
+}
 
-.bp3-icon-scatter-plot::before{
-  content:""; }
+/* Hide panel level error as duplicated the field level error */
+.jp-FormGroup-content .panel.errors {
+  display: none;
+}
 
-.bp3-icon-search::before{
-  content:""; }
+/* RJSF normal content (settings-editor) */
 
-.bp3-icon-search-around::before{
-  content:""; }
+.jp-FormGroup-contentNormal {
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-search-template::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-contentItem {
+  margin-left: 7px;
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-search-text::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-description {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-segmented-control::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-default {
+  flex-basis: 100%;
+  padding: 4px 7px;
+}
 
-.bp3-icon-select::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-FormGroup-fieldLabel {
+  font-size: var(--jp-content-font-size1);
+  font-weight: normal;
+  min-width: 120px;
+}
 
-.bp3-icon-selection::before{
-  content:"⦿"; }
+.jp-FormGroup-contentNormal fieldset:not(:first-child) {
+  margin-left: 7px;
+}
 
-.bp3-icon-send-to::before{
-  content:""; }
+.jp-FormGroup-contentNormal .field-array-of-string .array-item {
+  /* Display `jp-ArrayOperations` buttons side-by-side with content except
+    for small screens where flex-wrap will place them one below the other.
+  */
+  display: flex;
+  align-items: center;
+  flex-wrap: wrap;
+}
 
-.bp3-icon-send-to-graph::before{
-  content:""; }
+.jp-FormGroup-contentNormal .jp-objectFieldWrapper .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-send-to-map::before{
-  content:""; }
+/* RJSF compact content (metadata-form) */
 
-.bp3-icon-series-add::before{
-  content:""; }
+.jp-FormGroup-content.jp-FormGroup-contentCompact {
+  width: 100%;
+}
 
-.bp3-icon-series-configuration::before{
-  content:""; }
+.jp-FormGroup-contentCompact .form-group {
+  display: flex;
+  padding: 0.5em 0.2em 0.5em 0;
+}
 
-.bp3-icon-series-derived::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-FormGroup-compactTitle
+  .jp-FormGroup-description {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-series-filtered::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-FormGroup-fieldLabel {
+  padding-bottom: 0.3em;
+}
 
-.bp3-icon-series-search::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-inputFieldWrapper .form-control {
+  width: 100%;
+  box-sizing: border-box;
+}
 
-.bp3-icon-settings::before{
-  content:""; }
+.jp-FormGroup-contentCompact .jp-arrayFieldWrapper .jp-FormGroup-compactTitle {
+  padding-bottom: 7px;
+}
 
-.bp3-icon-share::before{
-  content:""; }
+.jp-FormGroup-contentCompact
+  .jp-objectFieldWrapper
+  .jp-objectFieldWrapper
+  .form-group {
+  padding: 2px 8px 2px var(--jp-private-settingeditor-modifier-indent);
+  margin-top: 2px;
+}
 
-.bp3-icon-shield::before{
-  content:""; }
+.jp-FormGroup-contentCompact ul.error-detail {
+  margin-block-start: 0.5em;
+  margin-block-end: 0.5em;
+  padding-inline-start: 1em;
+}
 
-.bp3-icon-shop::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-.bp3-icon-shopping-cart::before{
-  content:""; }
+.jp-SidePanel {
+  display: flex;
+  flex-direction: column;
+  min-width: var(--jp-sidebar-min-width);
+  overflow-y: auto;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+  font-size: var(--jp-ui-font-size1);
+}
 
-.bp3-icon-signal-search::before{
-  content:""; }
+.jp-SidePanel-header {
+  flex: 0 0 auto;
+  display: flex;
+  border-bottom: var(--jp-border-width) solid var(--jp-border-color2);
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin: 0;
+  padding: 2px;
+  text-transform: uppercase;
+}
 
-.bp3-icon-sim-card::before{
-  content:""; }
+.jp-SidePanel-toolbar {
+  flex: 0 0 auto;
+}
 
-.bp3-icon-slash::before{
-  content:""; }
+.jp-SidePanel-content {
+  flex: 1 1 auto;
+}
 
-.bp3-icon-small-cross::before{
-  content:""; }
+.jp-SidePanel-toolbar,
+.jp-AccordionPanel-toolbar {
+  height: var(--jp-private-toolbar-height);
+}
 
-.bp3-icon-small-minus::before{
-  content:""; }
+.jp-SidePanel-toolbar.jp-Toolbar-micro {
+  display: none;
+}
 
-.bp3-icon-small-plus::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-title {
+  box-sizing: border-box;
+  line-height: 25px;
+  margin: 0;
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  font-size: var(--jp-ui-font-size0);
+}
 
-.bp3-icon-small-tick::before{
-  content:""; }
+.jp-AccordionPanel-title {
+  cursor: pointer;
+  user-select: none;
+  -moz-user-select: none;
+  -webkit-user-select: none;
+  text-transform: uppercase;
+}
 
-.bp3-icon-snowflake::before{
-  content:""; }
+.lm-AccordionPanel[data-orientation='horizontal'] > .jp-AccordionPanel-title {
+  /* Title is rotated for horizontal accordion panel using CSS */
+  display: block;
+  transform-origin: top left;
+  transform: rotate(-90deg) translate(-100%);
+}
 
-.bp3-icon-social-media::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleLabel {
+  user-select: none;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+  overflow: hidden;
+}
 
-.bp3-icon-sort::before{
-  content:""; }
+.jp-AccordionPanel-title .lm-AccordionPanel-titleCollapser {
+  transform: rotate(-90deg);
+  margin: auto 0;
+  height: 16px;
+}
 
-.bp3-icon-sort-alphabetical::before{
-  content:""; }
+.jp-AccordionPanel-title.lm-mod-expanded .lm-AccordionPanel-titleCollapser {
+  transform: rotate(0deg);
+}
 
-.bp3-icon-sort-alphabetical-desc::before{
-  content:""; }
+.lm-AccordionPanel .jp-AccordionPanel-toolbar {
+  background: none;
+  box-shadow: none;
+  border: none;
+  margin-left: auto;
+}
 
-.bp3-icon-sort-asc::before{
-  content:""; }
+.lm-AccordionPanel .lm-SplitPanel-handle:hover {
+  background: var(--jp-layout-color3);
+}
 
-.bp3-icon-sort-desc::before{
-  content:""; }
+.jp-text-truncated {
+  overflow: hidden;
+  text-overflow: ellipsis;
+  white-space: nowrap;
+}
 
-.bp3-icon-sort-numerical::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-sort-numerical-desc::before{
-  content:""; }
+.jp-Spinner {
+  position: absolute;
+  display: flex;
+  justify-content: center;
+  align-items: center;
+  z-index: 10;
+  left: 0;
+  top: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-layout-color0);
+  outline: none;
+}
 
-.bp3-icon-split-columns::before{
-  content:""; }
+.jp-SpinnerContent {
+  font-size: 10px;
+  margin: 50px auto;
+  text-indent: -9999em;
+  width: 3em;
+  height: 3em;
+  border-radius: 50%;
+  background: var(--jp-brand-color3);
+  background: linear-gradient(
+    to right,
+    #f37626 10%,
+    rgba(255, 255, 255, 0) 42%
+  );
+  position: relative;
+  animation: load3 1s infinite linear, fadeIn 1s;
+}
 
-.bp3-icon-square::before{
-  content:""; }
+.jp-SpinnerContent::before {
+  width: 50%;
+  height: 50%;
+  background: #f37626;
+  border-radius: 100% 0 0;
+  position: absolute;
+  top: 0;
+  left: 0;
+  content: '';
+}
 
-.bp3-icon-stacked-chart::before{
-  content:""; }
-
-.bp3-icon-star::before{
-  content:"★"; }
+.jp-SpinnerContent::after {
+  background: var(--jp-layout-color0);
+  width: 75%;
+  height: 75%;
+  border-radius: 50%;
+  content: '';
+  margin: auto;
+  position: absolute;
+  top: 0;
+  left: 0;
+  bottom: 0;
+  right: 0;
+}
 
-.bp3-icon-star-empty::before{
-  content:"☆"; }
+@keyframes fadeIn {
+  0% {
+    opacity: 0;
+  }
 
-.bp3-icon-step-backward::before{
-  content:""; }
+  100% {
+    opacity: 1;
+  }
+}
 
-.bp3-icon-step-chart::before{
-  content:""; }
+@keyframes load3 {
+  0% {
+    transform: rotate(0deg);
+  }
 
-.bp3-icon-step-forward::before{
-  content:""; }
+  100% {
+    transform: rotate(360deg);
+  }
+}
 
-.bp3-icon-stop::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-stopwatch::before{
-  content:""; }
+button.jp-mod-styled {
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  border: none;
+  box-sizing: border-box;
+  text-align: center;
+  line-height: 32px;
+  height: 32px;
+  padding: 0 12px;
+  letter-spacing: 0.8px;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-strikethrough::before{
-  content:""; }
+input.jp-mod-styled {
+  background: var(--jp-input-background);
+  height: 28px;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color1);
+  padding-left: 7px;
+  padding-right: 7px;
+  font-size: var(--jp-ui-font-size2);
+  color: var(--jp-ui-font-color0);
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-style::before{
-  content:""; }
+input[type='checkbox'].jp-mod-styled {
+  appearance: checkbox;
+  -webkit-appearance: checkbox;
+  -moz-appearance: checkbox;
+  height: auto;
+}
 
-.bp3-icon-swap-horizontal::before{
-  content:""; }
+input.jp-mod-styled:focus {
+  border: var(--jp-border-width) solid var(--md-blue-500);
+  box-shadow: inset 0 0 4px var(--md-blue-300);
+}
 
-.bp3-icon-swap-vertical::before{
-  content:""; }
+.jp-select-wrapper {
+  display: flex;
+  position: relative;
+  flex-direction: column;
+  padding: 1px;
+  background-color: var(--jp-layout-color1);
+  box-sizing: border-box;
+  margin-bottom: 12px;
+}
 
-.bp3-icon-symbol-circle::before{
-  content:""; }
+.jp-select-wrapper:not(.multiple) {
+  height: 28px;
+}
 
-.bp3-icon-symbol-cross::before{
-  content:""; }
+.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
+  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
+  box-shadow: var(--jp-input-box-shadow);
+  background-color: var(--jp-input-active-background);
+}
 
-.bp3-icon-symbol-diamond::before{
-  content:""; }
+select.jp-mod-styled:hover {
+  cursor: pointer;
+  color: var(--jp-ui-font-color0);
+  background-color: var(--jp-input-hover-background);
+  box-shadow: inset 0 0 1px rgba(0, 0, 0, 0.5);
+}
 
-.bp3-icon-symbol-square::before{
-  content:""; }
+select.jp-mod-styled {
+  flex: 1 1 auto;
+  width: 100%;
+  font-size: var(--jp-ui-font-size2);
+  background: var(--jp-input-background);
+  color: var(--jp-ui-font-color0);
+  padding: 0 25px 0 8px;
+  border: var(--jp-border-width) solid var(--jp-input-border-color);
+  border-radius: 0;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+}
 
-.bp3-icon-symbol-triangle-down::before{
-  content:""; }
+select.jp-mod-styled:not([multiple]) {
+  height: 32px;
+}
 
-.bp3-icon-symbol-triangle-up::before{
-  content:""; }
+select.jp-mod-styled[multiple] {
+  max-height: 200px;
+  overflow-y: auto;
+}
 
-.bp3-icon-tag::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-take-action::before{
-  content:""; }
+.jp-switch {
+  display: flex;
+  align-items: center;
+  padding-left: 4px;
+  padding-right: 4px;
+  font-size: var(--jp-ui-font-size1);
+  background-color: transparent;
+  color: var(--jp-ui-font-color1);
+  border: none;
+  height: 20px;
+}
 
-.bp3-icon-taxi::before{
-  content:""; }
+.jp-switch:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-text-highlight::before{
-  content:""; }
+.jp-switch-label {
+  margin-right: 5px;
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-th::before{
-  content:""; }
+.jp-switch-track {
+  cursor: pointer;
+  background-color: var(--jp-switch-color, var(--jp-border-color1));
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 34px;
+  height: 16px;
+  width: 35px;
+  position: relative;
+}
 
-.bp3-icon-th-derived::before{
-  content:""; }
+.jp-switch-track::before {
+  content: '';
+  position: absolute;
+  height: 10px;
+  width: 10px;
+  margin: 3px;
+  left: 0;
+  background-color: var(--jp-ui-inverse-font-color1);
+  -webkit-transition: 0.4s;
+  transition: 0.4s;
+  border-radius: 50%;
+}
 
-.bp3-icon-th-disconnect::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track {
+  background-color: var(--jp-switch-true-position-color, var(--jp-warn-color0));
+}
 
-.bp3-icon-th-filtered::before{
-  content:""; }
+.jp-switch[aria-checked='true'] .jp-switch-track::before {
+  /* track width (35) - margins (3 + 3) - thumb width (10) */
+  left: 19px;
+}
 
-.bp3-icon-th-list::before{
-  content:""; }
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
-.bp3-icon-thumbs-down::before{
-  content:""; }
+:root {
+  --jp-private-toolbar-height: calc(
+    28px + var(--jp-border-width)
+  ); /* leave 28px for content */
+}
 
-.bp3-icon-thumbs-up::before{
-  content:""; }
+.jp-Toolbar {
+  color: var(--jp-ui-font-color1);
+  flex: 0 0 auto;
+  display: flex;
+  flex-direction: row;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: 2px;
+  z-index: 8;
+  overflow-x: hidden;
+}
 
-.bp3-icon-tick::before{
-  content:"✓"; }
+/* Toolbar items */
 
-.bp3-icon-tick-circle::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
+  flex-grow: 1;
+  flex-shrink: 1;
+}
 
-.bp3-icon-time::before{
-  content:"⏲"; }
+.jp-Toolbar-item.jp-Toolbar-kernelStatus {
+  display: inline-block;
+  width: 32px;
+  background-repeat: no-repeat;
+  background-position: center;
+  background-size: 16px;
+}
 
-.bp3-icon-timeline-area-chart::before{
-  content:""; }
+.jp-Toolbar > .jp-Toolbar-item {
+  flex: 0 0 auto;
+  display: flex;
+  padding-left: 1px;
+  padding-right: 1px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: var(--jp-private-toolbar-height);
+  height: 100%;
+}
 
-.bp3-icon-timeline-bar-chart::before{
-  content:""; }
+/* Toolbar buttons */
 
-.bp3-icon-timeline-events::before{
-  content:""; }
+/* This is the div we use to wrap the react component into a Widget */
+div.jp-ToolbarButton {
+  color: transparent;
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0;
+  margin: 0;
+}
 
-.bp3-icon-timeline-line-chart::before{
-  content:""; }
+button.jp-ToolbarButtonComponent {
+  background: var(--jp-layout-color1);
+  border: none;
+  box-sizing: border-box;
+  outline: none;
+  appearance: none;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  padding: 0 6px;
+  margin: 0;
+  height: 24px;
+  border-radius: var(--jp-border-radius);
+  display: flex;
+  align-items: center;
+  text-align: center;
+  font-size: 14px;
+  min-width: unset;
+  min-height: unset;
+}
 
-.bp3-icon-tint::before{
-  content:""; }
+button.jp-ToolbarButtonComponent:disabled {
+  opacity: 0.4;
+}
 
-.bp3-icon-torch::before{
-  content:""; }
+button.jp-ToolbarButtonComponent > span {
+  padding: 0;
+  flex: 0 0 auto;
+}
 
-.bp3-icon-tractor::before{
-  content:""; }
+button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
+  font-size: var(--jp-ui-font-size1);
+  line-height: 100%;
+  padding-left: 2px;
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+}
 
-.bp3-icon-train::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar.jp-Toolbar-micro {
+  padding: 0;
+  min-height: 0;
+}
 
-.bp3-icon-translate::before{
-  content:""; }
+#jp-main-dock-panel[data-mode='single-document']
+  .jp-MainAreaWidget
+  > .jp-Toolbar {
+  border: none;
+  box-shadow: none;
+}
 
-.bp3-icon-trash::before{
-  content:""; }
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-WindowedPanel-outer {
+  position: relative;
+  overflow-y: auto;
+}
+
+.jp-WindowedPanel-inner {
+  position: relative;
+}
+
+.jp-WindowedPanel-window {
+  position: absolute;
+  left: 0;
+  right: 0;
+  overflow: visible;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/* Sibling imports */
+
+body {
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+}
+
+/* Disable native link decoration styles everywhere outside of dialog boxes */
+a {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-tree::before{
-  content:""; }
+a:hover {
+  text-decoration: unset;
+  color: unset;
+}
 
-.bp3-icon-trending-down::before{
-  content:""; }
+/* Accessibility for links inside dialog box text */
+.jp-Dialog-content a {
+  text-decoration: revert;
+  color: var(--jp-content-link-color);
+}
 
-.bp3-icon-trending-up::before{
-  content:""; }
+.jp-Dialog-content a:hover {
+  text-decoration: revert;
+}
 
-.bp3-icon-truck::before{
-  content:""; }
+/* Styles for ui-components */
+.jp-Button {
+  color: var(--jp-ui-font-color2);
+  border-radius: var(--jp-border-radius);
+  padding: 0 12px;
+  font-size: var(--jp-ui-font-size1);
 
-.bp3-icon-two-columns::before{
-  content:""; }
+  /* Copy from blueprint 3 */
+  display: inline-flex;
+  flex-direction: row;
+  border: none;
+  cursor: pointer;
+  align-items: center;
+  justify-content: center;
+  text-align: left;
+  vertical-align: middle;
+  min-height: 30px;
+  min-width: 30px;
+}
 
-.bp3-icon-unarchive::before{
-  content:""; }
+.jp-Button:disabled {
+  cursor: not-allowed;
+}
 
-.bp3-icon-underline::before{
-  content:"⎁"; }
+.jp-Button:empty {
+  padding: 0 !important;
+}
 
-.bp3-icon-undo::before{
-  content:"⎌"; }
+.jp-Button.jp-mod-small {
+  min-height: 24px;
+  min-width: 24px;
+  font-size: 12px;
+  padding: 0 7px;
+}
 
-.bp3-icon-ungroup-objects::before{
-  content:""; }
+/* Use our own theme for hover styles */
+.jp-Button.jp-mod-minimal:hover {
+  background-color: var(--jp-layout-color2);
+}
 
-.bp3-icon-unknown-vehicle::before{
-  content:""; }
+.jp-Button.jp-mod-minimal {
+  background: none;
+}
 
-.bp3-icon-unlock::before{
-  content:""; }
+.jp-InputGroup {
+  display: block;
+  position: relative;
+}
 
-.bp3-icon-unpin::before{
-  content:""; }
+.jp-InputGroup input {
+  box-sizing: border-box;
+  border: none;
+  border-radius: 0;
+  background-color: transparent;
+  color: var(--jp-ui-font-color0);
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
+  padding-bottom: 0;
+  padding-top: 0;
+  padding-left: 10px;
+  padding-right: 28px;
+  position: relative;
+  width: 100%;
+  -webkit-appearance: none;
+  -moz-appearance: none;
+  appearance: none;
+  font-size: 14px;
+  font-weight: 400;
+  height: 30px;
+  line-height: 30px;
+  outline: none;
+  vertical-align: middle;
+}
 
-.bp3-icon-unresolve::before{
-  content:""; }
+.jp-InputGroup input:focus {
+  box-shadow: inset 0 0 0 var(--jp-border-width)
+      var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
+}
 
-.bp3-icon-updated::before{
-  content:""; }
+.jp-InputGroup input:disabled {
+  cursor: not-allowed;
+  resize: block;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-upload::before{
-  content:""; }
+.jp-InputGroup input:disabled ~ span {
+  cursor: not-allowed;
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-user::before{
-  content:""; }
+.jp-InputGroup input::placeholder,
+input::placeholder {
+  color: var(--jp-ui-font-color2);
+}
 
-.bp3-icon-variable::before{
-  content:""; }
+.jp-InputGroupAction {
+  position: absolute;
+  bottom: 1px;
+  right: 0;
+  padding: 6px;
+}
 
-.bp3-icon-vertical-bar-chart-asc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select {
+  background-color: initial;
+  border: none;
+  border-radius: 0;
+  box-shadow: none;
+  color: var(--jp-ui-font-color0);
+  display: block;
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  height: 24px;
+  line-height: 14px;
+  padding: 0 25px 0 10px;
+  text-align: left;
+  -moz-appearance: none;
+  -webkit-appearance: none;
+}
 
-.bp3-icon-vertical-bar-chart-desc::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color2);
+  cursor: not-allowed;
+  resize: block;
+}
 
-.bp3-icon-vertical-distribution::before{
-  content:""; }
+.jp-HTMLSelect.jp-DefaultStyle select:disabled ~ span {
+  cursor: not-allowed;
+}
 
-.bp3-icon-video::before{
-  content:""; }
+/* Use our own theme for hover and option styles */
+/* stylelint-disable-next-line selector-max-type */
+.jp-HTMLSelect.jp-DefaultStyle select:hover,
+.jp-HTMLSelect.jp-DefaultStyle select > option {
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color0);
+}
 
-.bp3-icon-volume-down::before{
-  content:""; }
+select {
+  box-sizing: border-box;
+}
 
-.bp3-icon-volume-off::before{
-  content:""; }
-
-.bp3-icon-volume-up::before{
-  content:""; }
-
-.bp3-icon-walk::before{
-  content:""; }
-
-.bp3-icon-warning-sign::before{
-  content:""; }
-
-.bp3-icon-waterfall-chart::before{
-  content:""; }
-
-.bp3-icon-widget::before{
-  content:""; }
-
-.bp3-icon-widget-button::before{
-  content:""; }
-
-.bp3-icon-widget-footer::before{
-  content:""; }
-
-.bp3-icon-widget-header::before{
-  content:""; }
-
-.bp3-icon-wrench::before{
-  content:""; }
-
-.bp3-icon-zoom-in::before{
-  content:""; }
-
-.bp3-icon-zoom-out::before{
-  content:""; }
-
-.bp3-icon-zoom-to-fit::before{
-  content:""; }
-.bp3-submenu > .bp3-popover-wrapper{
-  display:block; }
-
-.bp3-submenu .bp3-popover-target{
-  display:block; }
-  .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{ }
-
-.bp3-submenu.bp3-popover{
-  -webkit-box-shadow:none;
-          box-shadow:none;
-  padding:0 5px; }
-  .bp3-submenu.bp3-popover > .bp3-popover-content{
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.1), 0 2px 4px rgba(16, 22, 26, 0.2), 0 8px 24px rgba(16, 22, 26, 0.2); }
-  .bp3-dark .bp3-submenu.bp3-popover, .bp3-submenu.bp3-popover.bp3-dark{
-    -webkit-box-shadow:none;
-            box-shadow:none; }
-    .bp3-dark .bp3-submenu.bp3-popover > .bp3-popover-content, .bp3-submenu.bp3-popover.bp3-dark > .bp3-popover-content{
-      -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4);
-              box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 2px 4px rgba(16, 22, 26, 0.4), 0 8px 24px rgba(16, 22, 26, 0.4); }
-.bp3-menu{
-  background:#ffffff;
-  border-radius:3px;
-  color:#182026;
-  list-style:none;
-  margin:0;
-  min-width:180px;
-  padding:5px;
-  text-align:left; }
-
-.bp3-menu-divider{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px; }
-  .bp3-dark .bp3-menu-divider{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-
-.bp3-menu-item{
-  display:-webkit-box;
-  display:-ms-flexbox;
-  display:flex;
-  -webkit-box-orient:horizontal;
-  -webkit-box-direction:normal;
-      -ms-flex-direction:row;
-          flex-direction:row;
-  -webkit-box-align:start;
-      -ms-flex-align:start;
-          align-items:flex-start;
-  border-radius:2px;
-  color:inherit;
-  line-height:20px;
-  padding:5px 7px;
-  text-decoration:none;
-  -webkit-user-select:none;
-     -moz-user-select:none;
-      -ms-user-select:none;
-          user-select:none; }
-  .bp3-menu-item > *{
-    -webkit-box-flex:0;
-        -ms-flex-positive:0;
-            flex-grow:0;
-    -ms-flex-negative:0;
-        flex-shrink:0; }
-  .bp3-menu-item > .bp3-fill{
-    -webkit-box-flex:1;
-        -ms-flex-positive:1;
-            flex-grow:1;
-    -ms-flex-negative:1;
-        flex-shrink:1; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > *{
-    margin-right:7px; }
-  .bp3-menu-item:empty::before,
-  .bp3-menu-item > :last-child{
-    margin-right:0; }
-  .bp3-menu-item > .bp3-fill{
-    word-break:break-word; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    background-color:rgba(167, 182, 194, 0.3);
-    cursor:pointer;
-    text-decoration:none; }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit;
-    color:rgba(92, 112, 128, 0.6);
-    cursor:not-allowed; }
-  .bp3-dark .bp3-menu-item{
-    color:inherit; }
-    .bp3-dark .bp3-menu-item:hover, .bp3-dark .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item, .bp3-submenu .bp3-dark .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-      background-color:rgba(138, 155, 168, 0.15);
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-disabled{
-      background-color:inherit;
-      color:rgba(167, 182, 194, 0.6); }
-  .bp3-menu-item.bp3-intent-primary{
-    color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-primary::before, .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary.bp3-active{
-      background-color:#137cbd; }
-    .bp3-menu-item.bp3-intent-primary:active{
-      background-color:#106ba3; }
-    .bp3-menu-item.bp3-intent-primary:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item, .bp3-menu-item.bp3-intent-primary:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::before, .bp3-menu-item.bp3-intent-primary:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-primary:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-primary.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary:active, .bp3-menu-item.bp3-intent-primary:active::before, .bp3-menu-item.bp3-intent-primary:active::after,
-    .bp3-menu-item.bp3-intent-primary:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-primary.bp3-active, .bp3-menu-item.bp3-intent-primary.bp3-active::before, .bp3-menu-item.bp3-intent-primary.bp3-active::after,
-    .bp3-menu-item.bp3-intent-primary.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-success{
-    color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-success::before, .bp3-menu-item.bp3-intent-success::after,
-    .bp3-menu-item.bp3-intent-success .bp3-menu-item-label{
-      color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success.bp3-active{
-      background-color:#0f9960; }
-    .bp3-menu-item.bp3-intent-success:active{
-      background-color:#0d8050; }
-    .bp3-menu-item.bp3-intent-success:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item, .bp3-menu-item.bp3-intent-success:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::before, .bp3-menu-item.bp3-intent-success:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-success:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-success.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success:active, .bp3-menu-item.bp3-intent-success:active::before, .bp3-menu-item.bp3-intent-success:active::after,
-    .bp3-menu-item.bp3-intent-success:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-success.bp3-active, .bp3-menu-item.bp3-intent-success.bp3-active::before, .bp3-menu-item.bp3-intent-success.bp3-active::after,
-    .bp3-menu-item.bp3-intent-success.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-warning{
-    color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-warning::before, .bp3-menu-item.bp3-intent-warning::after,
-    .bp3-menu-item.bp3-intent-warning .bp3-menu-item-label{
-      color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning.bp3-active{
-      background-color:#d9822b; }
-    .bp3-menu-item.bp3-intent-warning:active{
-      background-color:#bf7326; }
-    .bp3-menu-item.bp3-intent-warning:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item, .bp3-menu-item.bp3-intent-warning:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::before, .bp3-menu-item.bp3-intent-warning:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-warning:hover .bp3-menu-item-label,
-    .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-warning.bp3-menu-item .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning:active, .bp3-menu-item.bp3-intent-warning:active::before, .bp3-menu-item.bp3-intent-warning:active::after,
-    .bp3-menu-item.bp3-intent-warning:active .bp3-menu-item-label, .bp3-menu-item.bp3-intent-warning.bp3-active, .bp3-menu-item.bp3-intent-warning.bp3-active::before, .bp3-menu-item.bp3-intent-warning.bp3-active::after,
-    .bp3-menu-item.bp3-intent-warning.bp3-active .bp3-menu-item-label{
-      color:#ffffff; }
-  .bp3-menu-item.bp3-intent-danger{
-    color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger .bp3-icon{
-      color:inherit; }
-    .bp3-menu-item.bp3-intent-danger::before, .bp3-menu-item.bp3-intent-danger::after,
-    .bp3-menu-item.bp3-intent-danger .bp3-menu-item-label{
-      color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger.bp3-active{
-      background-color:#db3737; }
-    .bp3-menu-item.bp3-intent-danger:active{
-      background-color:#c23030; }
-    .bp3-menu-item.bp3-intent-danger:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item, .bp3-menu-item.bp3-intent-danger:hover::before, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::before, .bp3-menu-item.bp3-intent-danger:hover::after, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-intent-danger.bp3-menu-item::after,
-    .bp3-menu-item.bp3-intent-danger:hover .bp3-menu-item-label,
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-      color:#ffffff; }
-  .bp3-menu-item::before{
-    font-family:"Icons16", sans-serif;
-    font-size:16px;
-    font-style:normal;
-    font-weight:400;
-    line-height:1;
-    -moz-osx-font-smoothing:grayscale;
-    -webkit-font-smoothing:antialiased;
-    margin-right:7px; }
-  .bp3-menu-item::before,
-  .bp3-menu-item > .bp3-icon{
-    color:#5c7080;
-    margin-top:2px; }
-  .bp3-menu-item .bp3-menu-item-label{
-    color:#5c7080; }
-  .bp3-menu-item:hover, .bp3-submenu .bp3-popover-target.bp3-popover-open > .bp3-menu-item{
-    color:inherit; }
-  .bp3-menu-item.bp3-active, .bp3-menu-item:active{
-    background-color:rgba(115, 134, 148, 0.3); }
-  .bp3-menu-item.bp3-disabled{
-    background-color:inherit !important;
-    color:rgba(92, 112, 128, 0.6) !important;
-    cursor:not-allowed !important;
-    outline:none !important; }
-    .bp3-menu-item.bp3-disabled::before,
-    .bp3-menu-item.bp3-disabled > .bp3-icon,
-    .bp3-menu-item.bp3-disabled .bp3-menu-item-label{
-      color:rgba(92, 112, 128, 0.6) !important; }
-  .bp3-large .bp3-menu-item{
-    font-size:16px;
-    line-height:22px;
-    padding:9px 7px; }
-    .bp3-large .bp3-menu-item .bp3-icon{
-      margin-top:3px; }
-    .bp3-large .bp3-menu-item::before{
-      font-family:"Icons20", sans-serif;
-      font-size:20px;
-      font-style:normal;
-      font-weight:400;
-      line-height:1;
-      -moz-osx-font-smoothing:grayscale;
-      -webkit-font-smoothing:antialiased;
-      margin-right:10px;
-      margin-top:1px; }
-
-button.bp3-menu-item{
-  background:none;
-  border:none;
-  text-align:left;
-  width:100%; }
-.bp3-menu-header{
-  border-top:1px solid rgba(16, 22, 26, 0.15);
-  display:block;
-  margin:5px;
-  cursor:default;
-  padding-left:2px; }
-  .bp3-dark .bp3-menu-header{
-    border-top-color:rgba(255, 255, 255, 0.15); }
-  .bp3-menu-header:first-of-type{
-    border-top:none; }
-  .bp3-menu-header > h6{
-    color:#182026;
-    font-weight:600;
-    overflow:hidden;
-    text-overflow:ellipsis;
-    white-space:nowrap;
-    word-wrap:normal;
-    line-height:17px;
-    margin:0;
-    padding:10px 7px 0 1px; }
-    .bp3-dark .bp3-menu-header > h6{
-      color:#f5f8fa; }
-  .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-  .bp3-large .bp3-menu-header > h6{
-    font-size:18px;
-    padding-bottom:5px;
-    padding-top:15px; }
-  .bp3-large .bp3-menu-header:first-of-type > h6{
-    padding-top:0; }
-
-.bp3-dark .bp3-menu{
-  background:#30404d;
-  color:#f5f8fa; }
-
-.bp3-dark .bp3-menu-item{ }
-  .bp3-dark .bp3-menu-item.bp3-intent-primary{
-    color:#48aff0; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-icon{
-      color:inherit; }
-    .bp3-dark .bp3-menu-item.bp3-intent-primary::before, .bp3-dark .bp3-menu-item.bp3-intent-primary::after,
-    .bp3-dark .bp3-menu-item.bp3-intent-primary .bp3-menu-item-label{
-      color:#48aff0; }
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-      background-color:#137cbd; }
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-      background-color:#106ba3; }
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-    color:#3dcc91; }
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-      color:#3dcc91; }
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-      background-color:#0f9960; }
-    .bp3-dark .bp3-menu-item.bp3-intent-success:active{
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-.bp3-progress-bar{
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-.bp3-progress-bar.bp3-intent-primary .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-success .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-warning .bp3-progress-meter{
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-.bp3-progress-bar.bp3-intent-danger .bp3-progress-meter{
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-  to{
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-.bp3-slider-track{
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-.bp3-slider-progress{
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-  .bp3-slider-progress.bp3-intent-primary{
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-            box-shadow:inset 0 0 0 1px rgba(16, 22, 26, 0.2), inset 0 -1px 0 rgba(16, 22, 26, 0.1); }
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-  .bp3-omnibar.bp3-overlay-exit-active{
-    -webkit-filter:blur(20px);
-            filter:blur(20px);
-    opacity:0.2;
-    -webkit-transition-delay:0;
-            transition-delay:0;
-    -webkit-transition-duration:200ms;
-            transition-duration:200ms;
-    -webkit-transition-property:opacity, -webkit-filter;
-    transition-property:opacity, -webkit-filter;
-    transition-property:filter, opacity;
-    transition-property:filter, opacity, -webkit-filter;
-    -webkit-transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9);
-            transition-timing-function:cubic-bezier(0.4, 1, 0.75, 0.9); }
-  .bp3-omnibar .bp3-input{
-    background-color:transparent;
-    border-radius:0; }
-    .bp3-omnibar .bp3-input, .bp3-omnibar .bp3-input:focus{
-      -webkit-box-shadow:none;
-              box-shadow:none; }
-  .bp3-omnibar .bp3-menu{
-    background-color:transparent;
-    border-radius:0;
-    -webkit-box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-            box-shadow:inset 0 1px 0 rgba(16, 22, 26, 0.15);
-    max-height:calc(60vh - 40px);
-    overflow:auto; }
-    .bp3-omnibar .bp3-menu:empty{
-      display:none; }
-  .bp3-dark .bp3-omnibar, .bp3-omnibar.bp3-dark{
-    background-color:#30404d;
-    -webkit-box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4);
-            box-shadow:0 0 0 1px rgba(16, 22, 26, 0.2), 0 4px 8px rgba(16, 22, 26, 0.4), 0 18px 46px 6px rgba(16, 22, 26, 0.4); }
-
-.bp3-omnibar-overlay .bp3-overlay-backdrop{
-  background-color:rgba(16, 22, 26, 0.2); }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
-
-.bp3-multi-select{
-  min-width:150px; }
-
-.bp3-multi-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto; }
-
-.bp3-select-popover .bp3-popover-content{
-  padding:5px; }
-
-.bp3-select-popover .bp3-input-group{
-  margin-bottom:0; }
-
-.bp3-select-popover .bp3-menu{
-  max-height:300px;
-  max-width:400px;
-  overflow:auto;
-  padding:0; }
-  .bp3-select-popover .bp3-menu:not(:first-child){
-    padding-top:5px; }
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/* This file was auto-generated by ensureUiComponents() in @jupyterlab/buildutils */
-
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
 
-/* Icons urls */
+.jp-StatusBar-Widget {
+  display: flex;
+  align-items: center;
+  background: var(--jp-layout-color2);
+  min-height: var(--jp-statusbar-height);
+  justify-content: space-between;
+  padding: 0 10px;
+}
 
-:root {
-  --jp-icon-add: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTE5IDEzaC02djZoLTJ2LTZINXYtMmg2VjVoMnY2aDZ2MnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-bug: url(data:image/svg+xml;base64,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);
-  --jp-icon-build: url(data:image/svg+xml;base64,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);
-  --jp-icon-caret-down-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iOS45LDEzLjYgMy42LDcuNCA0LjQsNi42IDkuOSwxMi4yIDE1LjQsNi43IDE2LjEsNy40ICIvPgoJPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNS45TDksOS43bDMuOC0zLjhsMS4yLDEuMmwtNC45LDVsLTQuOS01TDUuMiw1Ljl6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-caret-down: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik01LjIsNy41TDksMTEuMmwzLjgtMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-left: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik0xMC44LDEyLjhMNy4xLDlsMy44LTMuOGwwLDcuNkgxMC44eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-right: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiIHNoYXBlLXJlbmRlcmluZz0iZ2VvbWV0cmljUHJlY2lzaW9uIj4KICAgIDxwYXRoIGQ9Ik03LjIsNS4yTDEwLjksOWwtMy44LDMuOFY1LjJINy4yeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-caret-up-empty-thin: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIwIDIwIj4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwb2x5Z29uIGNsYXNzPSJzdDEiIHBvaW50cz0iMTUuNCwxMy4zIDkuOSw3LjcgNC40LDEzLjIgMy42LDEyLjUgOS45LDYuMyAxNi4xLDEyLjYgIi8+Cgk8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-caret-up: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KCTxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSIgc2hhcGUtcmVuZGVyaW5nPSJnZW9tZXRyaWNQcmVjaXNpb24iPgoJCTxwYXRoIGQ9Ik01LjIsMTAuNUw5LDYuOGwzLjgsMy44SDUuMnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-case-sensitive: url(data:image/svg+xml;base64,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);
-  --jp-icon-check: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTkgMTYuMTdMNC44MyAxMmwtMS40MiAxLjQxTDkgMTkgMjEgN2wtMS40MS0xLjQxeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-circle-empty: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyIDJDNi40NyAyIDIgNi40NyAyIDEyczQuNDcgMTAgMTAgMTAgMTAtNC40NyAxMC0xMFMxNy41MyAyIDEyIDJ6bTAgMThjLTQuNDEgMC04LTMuNTktOC04czMuNTktOCA4LTggOCAzLjU5IDggOC0zLjU5IDgtOCA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
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-  --jp-icon-redo: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIGhlaWdodD0iMjQiIHZpZXdCb3g9IjAgMCAyNCAyNCIgd2lkdGg9IjE2Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgICA8cGF0aCBkPSJNMCAwaDI0djI0SDB6IiBmaWxsPSJub25lIi8+PHBhdGggZD0iTTE4LjQgMTAuNkMxNi41NSA4Ljk5IDE0LjE1IDggMTEuNSA4Yy00LjY1IDAtOC41OCAzLjAzLTkuOTYgNy4yMkwzLjkgMTZjMS4wNS0zLjE5IDQuMDUtNS41IDcuNi01LjUgMS45NSAwIDMuNzMuNzIgNS4xMiAxLjg4TDEzIDE2aDlWN2wtMy42IDMuNnoiLz4KICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-refresh: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDE4IDE4Ij4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTkgMTMuNWMtMi40OSAwLTQuNS0yLjAxLTQuNS00LjVTNi41MSA0LjUgOSA0LjVjMS4yNCAwIDIuMzYuNTIgMy4xNyAxLjMzTDEwIDhoNVYzbC0xLjc2IDEuNzZDMTIuMTUgMy42OCAxMC42NiAzIDkgMyA1LjY5IDMgMy4wMSA1LjY5IDMuMDEgOVM1LjY5IDE1IDkgMTVjMi45NyAwIDUuNDMtMi4xNiA1LjktNWgtMS41MmMtLjQ2IDItMi4yNCAzLjUtNC4zOCAzLjV6Ii8+CiAgICA8L2c+Cjwvc3ZnPgo=);
-  --jp-icon-regex: url(data:image/svg+xml;base64,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);
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-  --jp-icon-running: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDUxMiA1MTIiPgogIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICA8cGF0aCBkPSJNMjU2IDhDMTE5IDggOCAxMTkgOCAyNTZzMTExIDI0OCAyNDggMjQ4IDI0OC0xMTEgMjQ4LTI0OFMzOTMgOCAyNTYgOHptOTYgMzI4YzAgOC44LTcuMiAxNi0xNiAxNkgxNzZjLTguOCAwLTE2LTcuMi0xNi0xNlYxNzZjMC04LjggNy4yLTE2IDE2LTE2aDE2MGM4LjggMCAxNiA3LjIgMTYgMTZ2MTYweiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-save: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTE3IDNINWMtMS4xMSAwLTIgLjktMiAydjE0YzAgMS4xLjg5IDIgMiAyaDE0YzEuMSAwIDItLjkgMi0yVjdsLTQtNHptLTUgMTZjLTEuNjYgMC0zLTEuMzQtMy0zczEuMzQtMyAzLTMgMyAxLjM0IDMgMy0xLjM0IDMtMyAzem0zLTEwSDVWNWgxMHY0eiIvPgogICAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-search: url(data:image/svg+xml;base64,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);
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-  --jp-icon-spreadsheet: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8cGF0aCBjbGFzcz0ianAtaWNvbi1jb250cmFzdDEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNENBRjUwIiBkPSJNMi4yIDIuMnYxNy42aDE3LjZWMi4ySDIuMnptMTUuNCA3LjdoLTUuNVY0LjRoNS41djUuNXpNOS45IDQuNHY1LjVINC40VjQuNGg1LjV6bS01LjUgNy43aDUuNXY1LjVINC40di01LjV6bTcuNyA1LjV2LTUuNWg1LjV2NS41aC01LjV6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-stop: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik02IDZoMTJ2MTJINnoiLz4KICAgIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-tab: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTIxIDNIM2MtMS4xIDAtMiAuOS0yIDJ2MTRjMCAxLjEuOSAyIDIgMmgxOGMxLjEgMCAyLS45IDItMlY1YzAtMS4xLS45LTItMi0yem0wIDE2SDNWNWgxMHY0aDh2MTB6Ii8+CiAgPC9nPgo8L3N2Zz4K);
-  --jp-icon-table-rows: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMSw4SDNWNGgxOFY4eiBNMjEsMTBIM3Y0aDE4VjEweiBNMjEsMTZIM3Y0aDE4VjE2eiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-tag: url(data:image/svg+xml;base64,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);
-  --jp-icon-terminal: url(data:image/svg+xml;base64,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);
-  --jp-icon-text-editor: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDI0IDI0Ij4KICA8cGF0aCBjbGFzcz0ianAtaWNvbjMganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjNjE2MTYxIiBkPSJNMTUgMTVIM3YyaDEydi0yem0wLThIM3YyaDEyVjd6TTMgMTNoMTh2LTJIM3Yyem0wIDhoMTh2LTJIM3Yyek0zIDN2MmgxOFYzSDN6Ii8+Cjwvc3ZnPgo=);
-  --jp-icon-toc: url(data:image/svg+xml;base64,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);
-  --jp-icon-tree-view: url(data:image/svg+xml;base64,PHN2ZyBoZWlnaHQ9IjI0IiB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIyNCIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICAgIDxnIGNsYXNzPSJqcC1pY29uMyIgZmlsbD0iIzYxNjE2MSI+CiAgICAgICAgPHBhdGggZD0iTTAgMGgyNHYyNEgweiIgZmlsbD0ibm9uZSIvPgogICAgICAgIDxwYXRoIGQ9Ik0yMiAxMVYzaC03djNIOVYzSDJ2OGg3VjhoMnYxMGg0djNoN3YtOGgtN3YzaC0yVjhoMnYzeiIvPgogICAgPC9nPgo8L3N2Zz4=);
-  --jp-icon-trusted: url(data:image/svg+xml;base64,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);
-  --jp-icon-undo: url(data:image/svg+xml;base64,PHN2ZyB2aWV3Qm94PSIwIDAgMjQgMjQiIHdpZHRoPSIxNiIgeG1sbnM9Imh0dHA6Ly93d3cudzMub3JnLzIwMDAvc3ZnIj4KICA8ZyBjbGFzcz0ianAtaWNvbjMiIGZpbGw9IiM2MTYxNjEiPgogICAgPHBhdGggZD0iTTEyLjUgOGMtMi42NSAwLTUuMDUuOTktNi45IDIuNkwyIDd2OWg5bC0zLjYyLTMuNjJjMS4zOS0xLjE2IDMuMTYtMS44OCA1LjEyLTEuODggMy41NCAwIDYuNTUgMi4zMSA3LjYgNS41bDIuMzctLjc4QzIxLjA4IDExLjAzIDE3LjE1IDggMTIuNSA4eiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-vega: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbjEganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjMjEyMTIxIj4KICAgIDxwYXRoIGQ9Ik0xMC42IDUuNGwyLjItMy4ySDIuMnY3LjNsNC02LjZ6Ii8+CiAgICA8cGF0aCBkPSJNMTUuOCAyLjJsLTQuNCA2LjZMNyA2LjNsLTQuOCA4djUuNWgxNy42VjIuMmgtNHptLTcgMTUuNEg1LjV2LTQuNGgzLjN2NC40em00LjQgMEg5LjhWOS44aDMuNHY3Ljh6bTQuNCAwaC0zLjRWNi41aDMuNHYxMS4xeiIvPgogIDwvZz4KPC9zdmc+Cg==);
-  --jp-icon-yaml: url(data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHdpZHRoPSIxNiIgdmlld0JveD0iMCAwIDIyIDIyIj4KICA8ZyBjbGFzcz0ianAtaWNvbi1jb250cmFzdDIganAtaWNvbi1zZWxlY3RhYmxlIiBmaWxsPSIjRDgxQjYwIj4KICAgIDxwYXRoIGQ9Ik03LjIgMTguNnYtNS40TDMgNS42aDMuM2wxLjQgMy4xYy4zLjkuNiAxLjYgMSAyLjUuMy0uOC42LTEuNiAxLTIuNWwxLjQtMy4xaDMuNGwtNC40IDcuNnY1LjVsLTIuOS0uMXoiLz4KICAgIDxjaXJjbGUgY2xhc3M9InN0MCIgY3g9IjE3LjYiIGN5PSIxNi41IiByPSIyLjEiLz4KICAgIDxjaXJjbGUgY2xhc3M9InN0MCIgY3g9IjE3LjYiIGN5PSIxMSIgcj0iMi4xIi8+CiAgPC9nPgo8L3N2Zz4K);
+.jp-StatusBar-Left {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
 
-/* Icon CSS class declarations */
+.jp-StatusBar-Middle {
+  display: flex;
+  align-items: center;
+}
 
-.jp-AddIcon {
-  background-image: var(--jp-icon-add);
+.jp-StatusBar-Right {
+  display: flex;
+  align-items: center;
+  flex-direction: row-reverse;
 }
-.jp-BugIcon {
-  background-image: var(--jp-icon-bug);
+
+.jp-StatusBar-Item {
+  max-height: var(--jp-statusbar-height);
+  margin: 0 2px;
+  height: var(--jp-statusbar-height);
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  color: var(--jp-ui-font-color1);
+  padding: 0 6px;
 }
-.jp-BuildIcon {
-  background-image: var(--jp-icon-build);
+
+.jp-mod-highlighted:hover {
+  background-color: var(--jp-layout-color3);
 }
-.jp-CaretDownEmptyIcon {
-  background-image: var(--jp-icon-caret-down-empty);
+
+.jp-mod-clicked {
+  background-color: var(--jp-brand-color1);
 }
-.jp-CaretDownEmptyThinIcon {
-  background-image: var(--jp-icon-caret-down-empty-thin);
+
+.jp-mod-clicked:hover {
+  background-color: var(--jp-brand-color0);
 }
-.jp-CaretDownIcon {
-  background-image: var(--jp-icon-caret-down);
+
+.jp-mod-clicked .jp-StatusBar-TextItem {
+  color: var(--jp-ui-inverse-font-color1);
 }
-.jp-CaretLeftIcon {
-  background-image: var(--jp-icon-caret-left);
+
+.jp-StatusBar-HoverItem {
+  box-shadow: '0px 4px 4px rgba(0, 0, 0, 0.25)';
 }
-.jp-CaretRightIcon {
-  background-image: var(--jp-icon-caret-right);
+
+.jp-StatusBar-TextItem {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  line-height: 24px;
+  color: var(--jp-ui-font-color1);
 }
-.jp-CaretUpEmptyThinIcon {
-  background-image: var(--jp-icon-caret-up-empty-thin);
+
+.jp-StatusBar-GroupItem {
+  display: flex;
+  align-items: center;
+  flex-direction: row;
 }
-.jp-CaretUpIcon {
-  background-image: var(--jp-icon-caret-up);
+
+.jp-Statusbar-ProgressCircle svg {
+  display: block;
+  margin: 0 auto;
+  width: 16px;
+  height: 24px;
+  align-self: normal;
 }
-.jp-CaseSensitiveIcon {
-  background-image: var(--jp-icon-case-sensitive);
+
+.jp-Statusbar-ProgressCircle path {
+  fill: var(--jp-inverse-layout-color3);
 }
-.jp-CheckIcon {
-  background-image: var(--jp-icon-check);
-}
-.jp-CircleEmptyIcon {
-  background-image: var(--jp-icon-circle-empty);
-}
-.jp-CircleIcon {
-  background-image: var(--jp-icon-circle);
+
+.jp-Statusbar-ProgressBar-progress-bar {
+  height: 10px;
+  width: 100px;
+  border: solid 0.25px var(--jp-brand-color2);
+  border-radius: 3px;
+  overflow: hidden;
+  align-self: center;
 }
-.jp-ClearIcon {
-  background-image: var(--jp-icon-clear);
+
+.jp-Statusbar-ProgressBar-progress-bar > div {
+  background-color: var(--jp-brand-color2);
+  background-image: linear-gradient(
+    -45deg,
+    rgba(255, 255, 255, 0.2) 25%,
+    transparent 25%,
+    transparent 50%,
+    rgba(255, 255, 255, 0.2) 50%,
+    rgba(255, 255, 255, 0.2) 75%,
+    transparent 75%,
+    transparent
+  );
+  background-size: 40px 40px;
+  float: left;
+  width: 0%;
+  height: 100%;
+  font-size: 12px;
+  line-height: 14px;
+  color: #fff;
+  text-align: center;
+  animation: jp-Statusbar-ExecutionTime-progress-bar 2s linear infinite;
 }
-.jp-CloseIcon {
-  background-image: var(--jp-icon-close);
+
+.jp-Statusbar-ProgressBar-progress-bar p {
+  color: var(--jp-ui-font-color1);
+  font-family: var(--jp-ui-font-family);
+  font-size: var(--jp-ui-font-size1);
+  line-height: 10px;
+  width: 100px;
 }
-.jp-CodeIcon {
-  background-image: var(--jp-icon-code);
+
+@keyframes jp-Statusbar-ExecutionTime-progress-bar {
+  0% {
+    background-position: 0 0;
+  }
+
+  100% {
+    background-position: 40px 40px;
+  }
 }
-.jp-ConsoleIcon {
-  background-image: var(--jp-icon-console);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-commandpalette-search-height: 28px;
 }
-.jp-CopyIcon {
-  background-image: var(--jp-icon-copy);
+
+/*-----------------------------------------------------------------------------
+| Overall styles
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette {
+  padding-bottom: 0;
+  color: var(--jp-ui-font-color1);
+  background: var(--jp-layout-color1);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-CutIcon {
-  background-image: var(--jp-icon-cut);
+
+/*-----------------------------------------------------------------------------
+| Modal variant
+|----------------------------------------------------------------------------*/
+
+.jp-ModalCommandPalette {
+  position: absolute;
+  z-index: 10000;
+  top: 38px;
+  left: 30%;
+  margin: 0;
+  padding: 4px;
+  width: 40%;
+  box-shadow: var(--jp-elevation-z4);
+  border-radius: 4px;
+  background: var(--jp-layout-color0);
 }
-.jp-DownloadIcon {
-  background-image: var(--jp-icon-download);
+
+.jp-ModalCommandPalette .lm-CommandPalette {
+  max-height: 40vh;
 }
-.jp-EditIcon {
-  background-image: var(--jp-icon-edit);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-close-icon::after {
+  display: none;
 }
-.jp-EllipsesIcon {
-  background-image: var(--jp-icon-ellipses);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
+  display: none;
 }
-.jp-ExtensionIcon {
-  background-image: var(--jp-icon-extension);
+
+.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
+  margin-left: 4px;
+  margin-right: 4px;
 }
-.jp-FastForwardIcon {
-  background-image: var(--jp-icon-fast-forward);
+
+.jp-ModalCommandPalette
+  .lm-CommandPalette
+  .lm-CommandPalette-item.lm-mod-disabled {
+  display: none;
 }
-.jp-FileIcon {
-  background-image: var(--jp-icon-file);
+
+/*-----------------------------------------------------------------------------
+| Search
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-search {
+  padding: 4px;
+  background-color: var(--jp-layout-color1);
+  z-index: 2;
 }
-.jp-FileUploadIcon {
-  background-image: var(--jp-icon-file-upload);
+
+.lm-CommandPalette-wrapper {
+  overflow: overlay;
+  padding: 0 9px;
+  background-color: var(--jp-input-active-background);
+  height: 30px;
+  box-shadow: inset 0 0 0 var(--jp-border-width) var(--jp-input-border-color);
 }
-.jp-FilterListIcon {
-  background-image: var(--jp-icon-filter-list);
+
+.lm-CommandPalette.lm-mod-focused .lm-CommandPalette-wrapper {
+  box-shadow: inset 0 0 0 1px var(--jp-input-active-box-shadow-color),
+    inset 0 0 0 3px var(--jp-input-active-box-shadow-color);
 }
-.jp-FolderIcon {
-  background-image: var(--jp-icon-folder);
+
+.jp-SearchIconGroup {
+  color: white;
+  background-color: var(--jp-brand-color1);
+  position: absolute;
+  top: 4px;
+  right: 4px;
+  padding: 5px 5px 1px;
 }
-.jp-Html5Icon {
-  background-image: var(--jp-icon-html5);
+
+.jp-SearchIconGroup svg {
+  height: 20px;
+  width: 20px;
 }
-.jp-ImageIcon {
-  background-image: var(--jp-icon-image);
+
+.jp-SearchIconGroup .jp-icon3[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-InspectorIcon {
-  background-image: var(--jp-icon-inspector);
+
+.lm-CommandPalette-input {
+  background: transparent;
+  width: calc(100% - 18px);
+  float: left;
+  border: none;
+  outline: none;
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color0);
+  line-height: var(--jp-private-commandpalette-search-height);
 }
-.jp-JsonIcon {
-  background-image: var(--jp-icon-json);
+
+.lm-CommandPalette-input::-webkit-input-placeholder,
+.lm-CommandPalette-input::-moz-placeholder,
+.lm-CommandPalette-input:-ms-input-placeholder {
+  color: var(--jp-ui-font-color2);
+  font-size: var(--jp-ui-font-size1);
 }
-.jp-JupyterFaviconIcon {
-  background-image: var(--jp-icon-jupyter-favicon);
+
+/*-----------------------------------------------------------------------------
+| Results
+|----------------------------------------------------------------------------*/
+
+.lm-CommandPalette-header:first-child {
+  margin-top: 0;
 }
-.jp-JupyterIcon {
-  background-image: var(--jp-icon-jupyter);
+
+.lm-CommandPalette-header {
+  border-bottom: solid var(--jp-border-width) var(--jp-border-color2);
+  color: var(--jp-ui-font-color1);
+  cursor: pointer;
+  display: flex;
+  font-size: var(--jp-ui-font-size0);
+  font-weight: 600;
+  letter-spacing: 1px;
+  margin-top: 8px;
+  padding: 8px 0 8px 12px;
+  text-transform: uppercase;
 }
-.jp-JupyterlabWordmarkIcon {
-  background-image: var(--jp-icon-jupyterlab-wordmark);
+
+.lm-CommandPalette-header.lm-mod-active {
+  background: var(--jp-layout-color2);
 }
-.jp-KernelIcon {
-  background-image: var(--jp-icon-kernel);
+
+.lm-CommandPalette-header > mark {
+  background-color: transparent;
+  font-weight: bold;
+  color: var(--jp-ui-font-color1);
 }
-.jp-KeyboardIcon {
-  background-image: var(--jp-icon-keyboard);
+
+.lm-CommandPalette-item {
+  padding: 4px 12px 4px 4px;
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  font-weight: 400;
+  display: flex;
 }
-.jp-LauncherIcon {
-  background-image: var(--jp-icon-launcher);
+
+.lm-CommandPalette-item.lm-mod-disabled {
+  color: var(--jp-ui-font-color2);
 }
-.jp-LineFormIcon {
-  background-image: var(--jp-icon-line-form);
+
+.lm-CommandPalette-item.lm-mod-active {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-LinkIcon {
-  background-image: var(--jp-icon-link);
+
+.lm-CommandPalette-item.lm-mod-active .lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-inverse-font-color0);
 }
-.jp-ListIcon {
-  background-image: var(--jp-icon-list);
+
+.lm-CommandPalette-item.lm-mod-active .jp-icon-selectable[fill] {
+  fill: var(--jp-layout-color0);
 }
-.jp-ListingsInfoIcon {
-  background-image: var(--jp-icon-listings-info);
+
+.lm-CommandPalette-item.lm-mod-active:hover:not(.lm-mod-disabled) {
+  color: var(--jp-ui-inverse-font-color1);
+  background: var(--jp-brand-color1);
 }
-.jp-MarkdownIcon {
-  background-image: var(--jp-icon-markdown);
+
+.lm-CommandPalette-item:hover:not(.lm-mod-active):not(.lm-mod-disabled) {
+  background: var(--jp-layout-color2);
 }
-.jp-NewFolderIcon {
-  background-image: var(--jp-icon-new-folder);
+
+.lm-CommandPalette-itemContent {
+  overflow: hidden;
 }
-.jp-NotTrustedIcon {
-  background-image: var(--jp-icon-not-trusted);
+
+.lm-CommandPalette-itemLabel > mark {
+  color: var(--jp-ui-font-color0);
+  background-color: transparent;
+  font-weight: bold;
 }
-.jp-NotebookIcon {
-  background-image: var(--jp-icon-notebook);
+
+.lm-CommandPalette-item.lm-mod-disabled mark {
+  color: var(--jp-ui-font-color2);
 }
-.jp-NumberingIcon {
-  background-image: var(--jp-icon-numbering);
-}
-.jp-OfflineBoltIcon {
-  background-image: var(--jp-icon-offline-bolt);
-}
-.jp-PaletteIcon {
-  background-image: var(--jp-icon-palette);
-}
-.jp-PasteIcon {
-  background-image: var(--jp-icon-paste);
-}
-.jp-PdfIcon {
-  background-image: var(--jp-icon-pdf);
-}
-.jp-PythonIcon {
-  background-image: var(--jp-icon-python);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemIcon {
+  margin: 0 4px 0 0;
+  position: relative;
+  width: 16px;
+  top: 2px;
+  flex: 0 0 auto;
 }
-.jp-RKernelIcon {
-  background-image: var(--jp-icon-r-kernel);
+
+.lm-CommandPalette-item.lm-mod-disabled .lm-CommandPalette-itemIcon {
+  opacity: 0.6;
 }
-.jp-ReactIcon {
-  background-image: var(--jp-icon-react);
+
+.lm-CommandPalette-item .lm-CommandPalette-itemShortcut {
+  flex: 0 0 auto;
 }
-.jp-RedoIcon {
-  background-image: var(--jp-icon-redo);
+
+.lm-CommandPalette-itemCaption {
+  display: none;
 }
-.jp-RefreshIcon {
-  background-image: var(--jp-icon-refresh);
+
+.lm-CommandPalette-content {
+  background-color: var(--jp-layout-color1);
 }
-.jp-RegexIcon {
-  background-image: var(--jp-icon-regex);
+
+.lm-CommandPalette-content:empty::after {
+  content: 'No results';
+  margin: auto;
+  margin-top: 20px;
+  width: 100px;
+  display: block;
+  font-size: var(--jp-ui-font-size2);
+  font-family: var(--jp-ui-font-family);
+  font-weight: lighter;
 }
-.jp-RunIcon {
-  background-image: var(--jp-icon-run);
+
+.lm-CommandPalette-emptyMessage {
+  text-align: center;
+  margin-top: 24px;
+  line-height: 1.32;
+  padding: 0 8px;
+  color: var(--jp-content-font-color3);
 }
-.jp-RunningIcon {
-  background-image: var(--jp-icon-running);
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) 2014-2017, Jupyter Development Team.
+|
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.jp-Dialog {
+  position: absolute;
+  z-index: 10000;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  top: 0;
+  left: 0;
+  margin: 0;
+  padding: 0;
+  width: 100%;
+  height: 100%;
+  background: var(--jp-dialog-background);
 }
-.jp-SaveIcon {
-  background-image: var(--jp-icon-save);
+
+.jp-Dialog-content {
+  display: flex;
+  flex-direction: column;
+  margin-left: auto;
+  margin-right: auto;
+  background: var(--jp-layout-color1);
+  padding: 24px 24px 12px;
+  min-width: 300px;
+  min-height: 150px;
+  max-width: 1000px;
+  max-height: 500px;
+  box-sizing: border-box;
+  box-shadow: var(--jp-elevation-z20);
+  word-wrap: break-word;
+  border-radius: var(--jp-border-radius);
+
+  /* This is needed so that all font sizing of children done in ems is
+   * relative to this base size */
+  font-size: var(--jp-ui-font-size1);
+  color: var(--jp-ui-font-color1);
+  resize: both;
 }
-.jp-SearchIcon {
-  background-image: var(--jp-icon-search);
+
+.jp-Dialog-content.jp-Dialog-content-small {
+  max-width: 500px;
 }
-.jp-SettingsIcon {
-  background-image: var(--jp-icon-settings);
+
+.jp-Dialog-button {
+  overflow: visible;
 }
-.jp-SpreadsheetIcon {
-  background-image: var(--jp-icon-spreadsheet);
+
+button.jp-Dialog-button:focus {
+  outline: 1px solid var(--jp-brand-color1);
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-StopIcon {
-  background-image: var(--jp-icon-stop);
+
+button.jp-Dialog-button:focus::-moz-focus-inner {
+  border: 0;
 }
-.jp-TabIcon {
-  background-image: var(--jp-icon-tab);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus,
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline-offset: 4px;
+  -moz-outline-radius: 0;
 }
-.jp-TableRowsIcon {
-  background-image: var(--jp-icon-table-rows);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-accept:focus {
+  outline: 1px solid var(--jp-accept-color-normal, var(--jp-brand-color1));
 }
-.jp-TagIcon {
-  background-image: var(--jp-icon-tag);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-warn:focus {
+  outline: 1px solid var(--jp-warn-color-normal, var(--jp-error-color1));
 }
-.jp-TerminalIcon {
-  background-image: var(--jp-icon-terminal);
+
+button.jp-Dialog-button.jp-mod-styled.jp-mod-reject:focus {
+  outline: 1px solid var(--jp-reject-color-normal, var(--md-grey-600));
 }
-.jp-TextEditorIcon {
-  background-image: var(--jp-icon-text-editor);
+
+button.jp-Dialog-close-button {
+  padding: 0;
+  height: 100%;
+  min-width: unset;
+  min-height: unset;
 }
-.jp-TocIcon {
-  background-image: var(--jp-icon-toc);
+
+.jp-Dialog-header {
+  display: flex;
+  justify-content: space-between;
+  flex: 0 0 auto;
+  padding-bottom: 12px;
+  font-size: var(--jp-ui-font-size3);
+  font-weight: 400;
+  color: var(--jp-ui-font-color1);
 }
-.jp-TreeViewIcon {
-  background-image: var(--jp-icon-tree-view);
+
+.jp-Dialog-body {
+  display: flex;
+  flex-direction: column;
+  flex: 1 1 auto;
+  font-size: var(--jp-ui-font-size1);
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  overflow: auto;
 }
-.jp-TrustedIcon {
-  background-image: var(--jp-icon-trusted);
+
+.jp-Dialog-footer {
+  display: flex;
+  flex-direction: row;
+  justify-content: flex-end;
+  align-items: center;
+  flex: 0 0 auto;
+  margin-left: -12px;
+  margin-right: -12px;
+  padding: 12px;
 }
-.jp-UndoIcon {
-  background-image: var(--jp-icon-undo);
+
+.jp-Dialog-checkbox {
+  padding-right: 5px;
 }
-.jp-VegaIcon {
-  background-image: var(--jp-icon-vega);
+
+.jp-Dialog-checkbox > input:focus-visible {
+  outline: 1px solid var(--jp-input-active-border-color);
+  outline-offset: 1px;
 }
-.jp-YamlIcon {
-  background-image: var(--jp-icon-yaml);
+
+.jp-Dialog-spacer {
+  flex: 1 1 auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+.jp-Dialog-title {
+  overflow: hidden;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+}
 
-/**
- * (DEPRECATED) Support for consuming icons as CSS background images
- */
+.jp-Dialog-body > .jp-select-wrapper {
+  width: 100%;
+}
 
-:root {
-  --jp-icon-search-white: url(data:image/svg+xml;base64,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);
+.jp-Dialog-body > button {
+  padding: 0 16px;
 }
 
-.jp-Icon,
-.jp-MaterialIcon {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
+.jp-Dialog-body > label {
+  line-height: 1.4;
+  color: var(--jp-ui-font-color0);
 }
 
-.jp-Icon-cover {
-  background-position: center;
-  background-repeat: no-repeat;
-  background-size: cover;
+.jp-Dialog-button.jp-mod-styled:not(:last-child) {
+  margin-right: 12px;
 }
 
-/**
- * (DEPRECATED) Support for specific CSS icon sizes
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
 
-.jp-Icon-16 {
-  background-size: 16px;
-  min-width: 16px;
-  min-height: 16px;
-}
-
-.jp-Icon-18 {
-  background-size: 18px;
-  min-width: 18px;
-  min-height: 18px;
+.jp-Input-Boolean-Dialog {
+  flex-direction: row-reverse;
+  align-items: end;
+  width: 100%;
 }
 
-.jp-Icon-20 {
-  background-size: 20px;
-  min-width: 20px;
-  min-height: 20px;
+.jp-Input-Boolean-Dialog > label {
+  flex: 1 1 auto;
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
+| Copyright (c) 2014-2016, Jupyter Development Team.
+|
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/**
- * Support for icons as inline SVG HTMLElements
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon3[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-/* recolor the accent elements of an icon */
-.jp-icon-accent0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-accent1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-accent2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-accent3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-accent4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-accent0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-accent1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-accent2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-accent3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-accent4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-/* set the color of an icon to transparent */
-.jp-icon-none[fill] {
-  fill: none;
-}
-
-.jp-icon-none[stroke] {
-  stroke: none;
-}
-/* brand icon colors. Same for light and dark */
-.jp-icon-brand0[fill] {
-  fill: var(--jp-brand-color0);
-}
-.jp-icon-brand1[fill] {
-  fill: var(--jp-brand-color1);
-}
-.jp-icon-brand2[fill] {
-  fill: var(--jp-brand-color2);
-}
-.jp-icon-brand3[fill] {
-  fill: var(--jp-brand-color3);
-}
-.jp-icon-brand4[fill] {
-  fill: var(--jp-brand-color4);
-}
-
-.jp-icon-brand0[stroke] {
-  stroke: var(--jp-brand-color0);
-}
-.jp-icon-brand1[stroke] {
-  stroke: var(--jp-brand-color1);
-}
-.jp-icon-brand2[stroke] {
-  stroke: var(--jp-brand-color2);
-}
-.jp-icon-brand3[stroke] {
-  stroke: var(--jp-brand-color3);
-}
-.jp-icon-brand4[stroke] {
-  stroke: var(--jp-brand-color4);
-}
-/* warn icon colors. Same for light and dark */
-.jp-icon-warn0[fill] {
-  fill: var(--jp-warn-color0);
-}
-.jp-icon-warn1[fill] {
-  fill: var(--jp-warn-color1);
-}
-.jp-icon-warn2[fill] {
-  fill: var(--jp-warn-color2);
-}
-.jp-icon-warn3[fill] {
-  fill: var(--jp-warn-color3);
-}
-
-.jp-icon-warn0[stroke] {
-  stroke: var(--jp-warn-color0);
-}
-.jp-icon-warn1[stroke] {
-  stroke: var(--jp-warn-color1);
-}
-.jp-icon-warn2[stroke] {
-  stroke: var(--jp-warn-color2);
-}
-.jp-icon-warn3[stroke] {
-  stroke: var(--jp-warn-color3);
-}
-/* icon colors that contrast well with each other and most backgrounds */
-.jp-icon-contrast0[fill] {
-  fill: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[fill] {
-  fill: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[fill] {
-  fill: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[fill] {
-  fill: var(--jp-icon-contrast-color3);
-}
-
-.jp-icon-contrast0[stroke] {
-  stroke: var(--jp-icon-contrast-color0);
-}
-.jp-icon-contrast1[stroke] {
-  stroke: var(--jp-icon-contrast-color1);
-}
-.jp-icon-contrast2[stroke] {
-  stroke: var(--jp-icon-contrast-color2);
-}
-.jp-icon-contrast3[stroke] {
-  stroke: var(--jp-icon-contrast-color3);
-}
-
-/* CSS for icons in selected items in the settings editor */
-#setting-editor .jp-PluginList .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-#setting-editor
-  .jp-PluginList
-  .jp-mod-selected
-  .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected filebrowser listing items */
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-.jp-DirListing-item.jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-
-/* CSS for icons in selected tabs in the sidebar tab manager */
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable[fill] {
-  fill: #fff;
+.jp-MainAreaWidget > :focus {
+  outline: none;
 }
 
-#tab-manager .lm-TabBar-tab.jp-mod-active .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable[fill] {
-  fill: var(--jp-brand-color1);
+.jp-MainAreaWidget .jp-MainAreaWidget-error {
+  padding: 6px;
 }
 
-#tab-manager
-  .lm-TabBar-tab.jp-mod-active
-  .jp-icon-hover
-  :hover
-  .jp-icon-selectable-inverse[fill] {
-  fill: #fff;
+.jp-MainAreaWidget .jp-MainAreaWidget-error > pre {
+  width: auto;
+  padding: 10px;
+  background: var(--jp-error-color3);
+  border: var(--jp-border-width) solid var(--jp-error-color1);
+  border-radius: var(--jp-border-radius);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  white-space: pre-wrap;
+  word-wrap: break-word;
 }
 
-/**
- * TODO: come up with non css-hack solution for showing the busy icon on top
- *  of the close icon
- * CSS for complex behavior of close icon of tabs in the sidebar tab manager
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
  */
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-#tab-manager
-  .lm-TabBar-tab.jp-mod-dirty.jp-mod-active
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: #fff;
-}
-
-/**
-* TODO: come up with non css-hack solution for showing the busy icon on top
-*  of the close icon
-* CSS for complex behavior of close icon of tabs in the main area tabbar
-*/
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon3[fill] {
-  fill: none;
-}
-.lm-DockPanel-tabBar
-  .lm-TabBar-tab.lm-mod-closable.jp-mod-dirty
-  > .lm-TabBar-tabCloseIcon
-  > :not(:hover)
-  > .jp-icon-busy[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-
-/* CSS for icons in status bar */
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable[fill] {
-  fill: #fff;
-}
-
-#jp-main-statusbar .jp-mod-selected .jp-icon-selectable-inverse[fill] {
-  fill: var(--jp-brand-color1);
-}
-/* special handling for splash icon CSS. While the theme CSS reloads during
-   splash, the splash icon can loose theming. To prevent that, we set a
-   default for its color variable */
-:root {
-  --jp-warn-color0: var(--md-orange-700);
-}
-
-/* not sure what to do with this one, used in filebrowser listing */
-.jp-DragIcon {
-  margin-right: 4px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
 
 /**
- * Support for alt colors for icons as inline SVG HTMLElements
+ * google-material-color v1.2.6
+ * https://github.com/danlevan/google-material-color
  */
-
-/* alt recolor the primary elements of an icon */
-.jp-icon-alt .jp-icon0[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-alt .jp-icon0[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-alt .jp-icon1[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-alt .jp-icon2[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-alt .jp-icon3[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-alt .jp-icon4[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* alt recolor the accent elements of an icon */
-.jp-icon-alt .jp-icon-accent0[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-alt .jp-icon-accent4[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-alt .jp-icon-accent0[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-alt .jp-icon-accent1[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-alt .jp-icon-accent2[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-alt .jp-icon-accent3[stroke] {
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-}
-.jp-icon-alt .jp-icon-accent4[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-icon-hoverShow:not(:hover) svg {
-  display: none !important;
-}
-
-/**
- * Support for hover colors for icons as inline SVG HTMLElements
- */
-
-/**
- * regular colors
- */
-
-/* recolor the primary elements of an icon */
-.jp-icon-hover :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
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-.jp-icon-hover :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/* recolor the accent elements of an icon */
-.jp-icon-hover :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* set the color of an icon to transparent */
-.jp-icon-hover :hover .jp-icon-none-hover[fill] {
-  fill: none;
-}
-
-.jp-icon-hover :hover .jp-icon-none-hover[stroke] {
-  stroke: none;
-}
-
-/**
- * inverse colors
- */
-
-/* inverse recolor the primary elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[fill] {
-  fill: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[fill] {
-  fill: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[fill] {
-  fill: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[fill] {
-  fill: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[fill] {
-  fill: var(--jp-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon0-hover[stroke] {
-  stroke: var(--jp-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon1-hover[stroke] {
-  stroke: var(--jp-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon2-hover[stroke] {
-  stroke: var(--jp-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon3-hover[stroke] {
-  stroke: var(--jp-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon4-hover[stroke] {
-  stroke: var(--jp-layout-color4);
-}
-
-/* inverse recolor the accent elements of an icon */
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[fill] {
-  fill: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[fill] {
-  fill: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[fill] {
-  fill: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[fill] {
-  fill: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[fill] {
-  fill: var(--jp-inverse-layout-color4);
-}
-
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent0-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color0);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent1-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color1);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent2-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color2);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent3-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color3);
-}
-.jp-icon-hover.jp-icon-alt :hover .jp-icon-accent4-hover[stroke] {
-  stroke: var(--jp-inverse-layout-color4);
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-switch {
-  display: flex;
-  align-items: center;
-  padding-left: 4px;
-  padding-right: 4px;
-  font-size: var(--jp-ui-font-size1);
-  background-color: transparent;
-  color: var(--jp-ui-font-color1);
-  border: none;
-  height: 20px;
-}
-
-.jp-switch:hover {
-  background-color: var(--jp-layout-color2);
-}
-
-.jp-switch-label {
-  margin-right: 5px;
-}
-
-.jp-switch-track {
-  cursor: pointer;
-  background-color: var(--jp-border-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 34px;
-  height: 16px;
-  width: 35px;
-  position: relative;
-}
-
-.jp-switch-track::before {
-  content: '';
-  position: absolute;
-  height: 10px;
-  width: 10px;
-  margin: 3px;
-  left: 0px;
-  background-color: var(--jp-ui-inverse-font-color1);
-  -webkit-transition: 0.4s;
-  transition: 0.4s;
-  border-radius: 50%;
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track {
-  background-color: var(--jp-warn-color0);
-}
-
-.jp-switch[aria-checked='true'] .jp-switch-track::before {
-  /* track width (35) - margins (3 + 3) - thumb width (10) */
-  left: 19px;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/* Sibling imports */
-
-/* Override Blueprint's _reset.scss styles */
-html {
-  box-sizing: unset;
-}
-
-*,
-*::before,
-*::after {
-  box-sizing: unset;
-}
-
-body {
-  color: unset;
-  font-family: var(--jp-ui-font-family);
-}
-
-p {
-  margin-top: unset;
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-}
-
-small {
-  font-size: unset;
-}
-
-strong {
-  font-weight: unset;
-}
-
-/* Override Blueprint's _typography.scss styles */
-a {
-  text-decoration: unset;
-  color: unset;
-}
-a:hover {
-  text-decoration: unset;
-  color: unset;
-}
-
-/* Override Blueprint's _accessibility.scss styles */
-:focus {
-  outline: unset;
-  outline-offset: unset;
-  -moz-outline-radius: unset;
-}
-
-/* Styles for ui-components */
-.jp-Button {
-  border-radius: var(--jp-border-radius);
-  padding: 0px 12px;
-  font-size: var(--jp-ui-font-size1);
-}
-
-/* Use our own theme for hover styles */
-button.jp-Button.bp3-button.bp3-minimal:hover {
-  background-color: var(--jp-layout-color2);
-}
-.jp-Button.minimal {
-  color: unset !important;
-}
-
-.jp-Button.jp-ToolbarButtonComponent {
-  text-transform: none;
-}
-
-.jp-InputGroup input {
-  box-sizing: border-box;
-  border-radius: 0;
-  background-color: transparent;
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-
-.jp-InputGroup input:focus {
-  box-shadow: inset 0 0 0 var(--jp-border-width)
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-}
-
-.jp-InputGroup input::placeholder,
-input::placeholder {
-  color: var(--jp-ui-font-color3);
-}
-
-.jp-BPIcon {
-  display: inline-block;
-  vertical-align: middle;
-  margin: auto;
-}
-
-/* Stop blueprint futzing with our icon fills */
-.bp3-icon.jp-BPIcon > svg:not([fill]) {
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-}
-
-.jp-InputGroupAction {
-  padding: 6px;
-}
-
-.jp-HTMLSelect.jp-DefaultStyle select {
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-  font-size: var(--jp-ui-font-size1);
-  height: 24px;
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-  padding: 0 25px 0 10px;
-  text-align: left;
-  -moz-appearance: none;
-  -webkit-appearance: none;
-}
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-/* Use our own theme for hover and option styles */
-.jp-HTMLSelect.jp-DefaultStyle select:hover,
-.jp-HTMLSelect.jp-DefaultStyle select > option {
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-  color: var(--jp-ui-font-color0);
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-select {
-  box-sizing: border-box;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-.jp-Collapse {
-  display: flex;
-  flex-direction: column;
-  align-items: stretch;
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-}
-
-.jp-Collapse-header {
-  padding: 1px 12px;
-  color: var(--jp-ui-font-color1);
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-.jp-Collapse-header:hover {
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-.jp-Collapse-contents {
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-  color: var(--jp-ui-font-color1);
-  overflow: auto;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
-
-:root {
-  --jp-private-commandpalette-search-height: 28px;
-}
-
-/*-----------------------------------------------------------------------------
-| Overall styles
-|----------------------------------------------------------------------------*/
-
-.lm-CommandPalette {
-  padding-bottom: 0px;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
-}
-
-/*-----------------------------------------------------------------------------
-| Modal variant
-|----------------------------------------------------------------------------*/
-
-.jp-ModalCommandPalette {
-  position: absolute;
-  z-index: 10000;
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-  left: 30%;
-  margin: 0;
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-.jp-ModalCommandPalette .lm-CommandPalette {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-header {
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-.jp-ModalCommandPalette .lm-CommandPalette .lm-CommandPalette-item {
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-  margin-right: 4px;
-}
-
-.jp-ModalCommandPalette
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-  .lm-CommandPalette-item.lm-mod-disabled {
-  display: none;
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-
-/*-----------------------------------------------------------------------------
-| Search
-|----------------------------------------------------------------------------*/
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-.lm-CommandPalette-search {
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-/*-----------------------------------------------------------------------------
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-.lm-CommandPalette-header:first-child {
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-  border: var(--jp-border-width) solid var(--jp-border-color1);
-  padding-left: 7px;
-  padding-right: 7px;
-  font-size: var(--jp-ui-font-size2);
-  color: var(--jp-ui-font-color0);
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-input.jp-mod-styled:focus {
-  border: var(--jp-border-width) solid var(--md-blue-500);
-  box-shadow: inset 0 0 4px var(--md-blue-300);
-}
-
-.jp-select-wrapper {
-  display: flex;
-  position: relative;
-  flex-direction: column;
-  padding: 1px;
-  background-color: var(--jp-layout-color1);
-  height: 28px;
-  box-sizing: border-box;
-  margin-bottom: 12px;
-}
-
-.jp-select-wrapper.jp-mod-focused select.jp-mod-styled {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
-  background-color: var(--jp-input-active-background);
-}
-
-select.jp-mod-styled:hover {
-  background-color: var(--jp-layout-color1);
-  cursor: pointer;
-  color: var(--jp-ui-font-color0);
-  background-color: var(--jp-input-hover-background);
-  box-shadow: inset 0 0px 1px rgba(0, 0, 0, 0.5);
-}
-
-select.jp-mod-styled {
-  flex: 1 1 auto;
-  height: 32px;
-  width: 100%;
-  font-size: var(--jp-ui-font-size2);
-  background: var(--jp-input-background);
-  color: var(--jp-ui-font-color0);
-  padding: 0 25px 0 8px;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-}
-
-/*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
-
 :root {
-  --jp-private-toolbar-height: calc(
-    28px + var(--jp-border-width)
-  ); /* leave 28px for content */
-}
-
-.jp-Toolbar {
-  color: var(--jp-ui-font-color1);
-  flex: 0 0 auto;
-  display: flex;
-  flex-direction: row;
-  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
-  box-shadow: var(--jp-toolbar-box-shadow);
-  background: var(--jp-toolbar-background);
-  min-height: var(--jp-toolbar-micro-height);
-  padding: 2px;
-  z-index: 1;
-  overflow-x: hidden;
-}
-
-.jp-Toolbar:hover {
-  overflow-x: auto;
-}
-
-/* Toolbar items */
-
-.jp-Toolbar > .jp-Toolbar-item.jp-Toolbar-spacer {
-  flex-grow: 1;
-  flex-shrink: 1;
-}
-
-.jp-Toolbar-item.jp-Toolbar-kernelStatus {
-  display: inline-block;
-  width: 32px;
-  background-repeat: no-repeat;
-  background-position: center;
-  background-size: 16px;
-}
-
-.jp-Toolbar > .jp-Toolbar-item {
-  flex: 0 0 auto;
-  display: flex;
-  padding-left: 1px;
-  padding-right: 1px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: var(--jp-private-toolbar-height);
-  height: 100%;
-}
-
-/* Toolbar buttons */
-
-/* This is the div we use to wrap the react component into a Widget */
-div.jp-ToolbarButton {
-  color: transparent;
-  border: none;
-  box-sizing: border-box;
-  outline: none;
-  appearance: none;
-  -webkit-appearance: none;
-  -moz-appearance: none;
-  padding: 0px;
-  margin: 0px;
-}
-
-button.jp-ToolbarButtonComponent {
-  background: var(--jp-layout-color1);
-  border: none;
-  box-sizing: border-box;
-  outline: none;
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-  -moz-appearance: none;
-  padding: 0px 6px;
-  margin: 0px;
-  height: 24px;
-  border-radius: var(--jp-border-radius);
-  display: flex;
-  align-items: center;
-  text-align: center;
-  font-size: 14px;
-  min-width: unset;
-  min-height: unset;
-}
-
-button.jp-ToolbarButtonComponent:disabled {
-  opacity: 0.4;
-}
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-  padding: 0px;
-  flex: 0 0 auto;
-}
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-button.jp-ToolbarButtonComponent .jp-ToolbarButtonComponent-label {
-  font-size: var(--jp-ui-font-size1);
-  line-height: 100%;
-  padding-left: 2px;
-  color: var(--jp-ui-font-color1);
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar.jp-Toolbar-micro {
-  padding: 0;
-  min-height: 0;
-}
-
-#jp-main-dock-panel[data-mode='single-document']
-  .jp-MainAreaWidget
-  > .jp-Toolbar {
-  border: none;
-  box-shadow: none;
+  --md-red-50: #ffebee;
+  --md-red-100: #ffcdd2;
+  --md-red-200: #ef9a9a;
+  --md-red-300: #e57373;
+  --md-red-400: #ef5350;
+  --md-red-500: #f44336;
+  --md-red-600: #e53935;
+  --md-red-700: #d32f2f;
+  --md-red-800: #c62828;
+  --md-red-900: #b71c1c;
+  --md-red-A100: #ff8a80;
+  --md-red-A200: #ff5252;
+  --md-red-A400: #ff1744;
+  --md-red-A700: #d50000;
+  --md-pink-50: #fce4ec;
+  --md-pink-100: #f8bbd0;
+  --md-pink-200: #f48fb1;
+  --md-pink-300: #f06292;
+  --md-pink-400: #ec407a;
+  --md-pink-500: #e91e63;
+  --md-pink-600: #d81b60;
+  --md-pink-700: #c2185b;
+  --md-pink-800: #ad1457;
+  --md-pink-900: #880e4f;
+  --md-pink-A100: #ff80ab;
+  --md-pink-A200: #ff4081;
+  --md-pink-A400: #f50057;
+  --md-pink-A700: #c51162;
+  --md-purple-50: #f3e5f5;
+  --md-purple-100: #e1bee7;
+  --md-purple-200: #ce93d8;
+  --md-purple-300: #ba68c8;
+  --md-purple-400: #ab47bc;
+  --md-purple-500: #9c27b0;
+  --md-purple-600: #8e24aa;
+  --md-purple-700: #7b1fa2;
+  --md-purple-800: #6a1b9a;
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+  --md-purple-A100: #ea80fc;
+  --md-purple-A200: #e040fb;
+  --md-purple-A400: #d500f9;
+  --md-purple-A700: #a0f;
+  --md-deep-purple-50: #ede7f6;
+  --md-deep-purple-100: #d1c4e9;
+  --md-deep-purple-200: #b39ddb;
+  --md-deep-purple-300: #9575cd;
+  --md-deep-purple-400: #7e57c2;
+  --md-deep-purple-500: #673ab7;
+  --md-deep-purple-600: #5e35b1;
+  --md-deep-purple-700: #512da8;
+  --md-deep-purple-800: #4527a0;
+  --md-deep-purple-900: #311b92;
+  --md-deep-purple-A100: #b388ff;
+  --md-deep-purple-A200: #7c4dff;
+  --md-deep-purple-A400: #651fff;
+  --md-deep-purple-A700: #6200ea;
+  --md-indigo-50: #e8eaf6;
+  --md-indigo-100: #c5cae9;
+  --md-indigo-200: #9fa8da;
+  --md-indigo-300: #7986cb;
+  --md-indigo-400: #5c6bc0;
+  --md-indigo-500: #3f51b5;
+  --md-indigo-600: #3949ab;
+  --md-indigo-700: #303f9f;
+  --md-indigo-800: #283593;
+  --md-indigo-900: #1a237e;
+  --md-indigo-A100: #8c9eff;
+  --md-indigo-A200: #536dfe;
+  --md-indigo-A400: #3d5afe;
+  --md-indigo-A700: #304ffe;
+  --md-blue-50: #e3f2fd;
+  --md-blue-100: #bbdefb;
+  --md-blue-200: #90caf9;
+  --md-blue-300: #64b5f6;
+  --md-blue-400: #42a5f5;
+  --md-blue-500: #2196f3;
+  --md-blue-600: #1e88e5;
+  --md-blue-700: #1976d2;
+  --md-blue-800: #1565c0;
+  --md-blue-900: #0d47a1;
+  --md-blue-A100: #82b1ff;
+  --md-blue-A200: #448aff;
+  --md-blue-A400: #2979ff;
+  --md-blue-A700: #2962ff;
+  --md-light-blue-50: #e1f5fe;
+  --md-light-blue-100: #b3e5fc;
+  --md-light-blue-200: #81d4fa;
+  --md-light-blue-300: #4fc3f7;
+  --md-light-blue-400: #29b6f6;
+  --md-light-blue-500: #03a9f4;
+  --md-light-blue-600: #039be5;
+  --md-light-blue-700: #0288d1;
+  --md-light-blue-800: #0277bd;
+  --md-light-blue-900: #01579b;
+  --md-light-blue-A100: #80d8ff;
+  --md-light-blue-A200: #40c4ff;
+  --md-light-blue-A400: #00b0ff;
+  --md-light-blue-A700: #0091ea;
+  --md-cyan-50: #e0f7fa;
+  --md-cyan-100: #b2ebf2;
+  --md-cyan-200: #80deea;
+  --md-cyan-300: #4dd0e1;
+  --md-cyan-400: #26c6da;
+  --md-cyan-500: #00bcd4;
+  --md-cyan-600: #00acc1;
+  --md-cyan-700: #0097a7;
+  --md-cyan-800: #00838f;
+  --md-cyan-900: #006064;
+  --md-cyan-A100: #84ffff;
+  --md-cyan-A200: #18ffff;
+  --md-cyan-A400: #00e5ff;
+  --md-cyan-A700: #00b8d4;
+  --md-teal-50: #e0f2f1;
+  --md-teal-100: #b2dfdb;
+  --md-teal-200: #80cbc4;
+  --md-teal-300: #4db6ac;
+  --md-teal-400: #26a69a;
+  --md-teal-500: #009688;
+  --md-teal-600: #00897b;
+  --md-teal-700: #00796b;
+  --md-teal-800: #00695c;
+  --md-teal-900: #004d40;
+  --md-teal-A100: #a7ffeb;
+  --md-teal-A200: #64ffda;
+  --md-teal-A400: #1de9b6;
+  --md-teal-A700: #00bfa5;
+  --md-green-50: #e8f5e9;
+  --md-green-100: #c8e6c9;
+  --md-green-200: #a5d6a7;
+  --md-green-300: #81c784;
+  --md-green-400: #66bb6a;
+  --md-green-500: #4caf50;
+  --md-green-600: #43a047;
+  --md-green-700: #388e3c;
+  --md-green-800: #2e7d32;
+  --md-green-900: #1b5e20;
+  --md-green-A100: #b9f6ca;
+  --md-green-A200: #69f0ae;
+  --md-green-A400: #00e676;
+  --md-green-A700: #00c853;
+  --md-light-green-50: #f1f8e9;
+  --md-light-green-100: #dcedc8;
+  --md-light-green-200: #c5e1a5;
+  --md-light-green-300: #aed581;
+  --md-light-green-400: #9ccc65;
+  --md-light-green-500: #8bc34a;
+  --md-light-green-600: #7cb342;
+  --md-light-green-700: #689f38;
+  --md-light-green-800: #558b2f;
+  --md-light-green-900: #33691e;
+  --md-light-green-A100: #ccff90;
+  --md-light-green-A200: #b2ff59;
+  --md-light-green-A400: #76ff03;
+  --md-light-green-A700: #64dd17;
+  --md-lime-50: #f9fbe7;
+  --md-lime-100: #f0f4c3;
+  --md-lime-200: #e6ee9c;
+  --md-lime-300: #dce775;
+  --md-lime-400: #d4e157;
+  --md-lime-500: #cddc39;
+  --md-lime-600: #c0ca33;
+  --md-lime-700: #afb42b;
+  --md-lime-800: #9e9d24;
+  --md-lime-900: #827717;
+  --md-lime-A100: #f4ff81;
+  --md-lime-A200: #eeff41;
+  --md-lime-A400: #c6ff00;
+  --md-lime-A700: #aeea00;
+  --md-yellow-50: #fffde7;
+  --md-yellow-100: #fff9c4;
+  --md-yellow-200: #fff59d;
+  --md-yellow-300: #fff176;
+  --md-yellow-400: #ffee58;
+  --md-yellow-500: #ffeb3b;
+  --md-yellow-600: #fdd835;
+  --md-yellow-700: #fbc02d;
+  --md-yellow-800: #f9a825;
+  --md-yellow-900: #f57f17;
+  --md-yellow-A100: #ffff8d;
+  --md-yellow-A200: #ff0;
+  --md-yellow-A400: #ffea00;
+  --md-yellow-A700: #ffd600;
+  --md-amber-50: #fff8e1;
+  --md-amber-100: #ffecb3;
+  --md-amber-200: #ffe082;
+  --md-amber-300: #ffd54f;
+  --md-amber-400: #ffca28;
+  --md-amber-500: #ffc107;
+  --md-amber-600: #ffb300;
+  --md-amber-700: #ffa000;
+  --md-amber-800: #ff8f00;
+  --md-amber-900: #ff6f00;
+  --md-amber-A100: #ffe57f;
+  --md-amber-A200: #ffd740;
+  --md-amber-A400: #ffc400;
+  --md-amber-A700: #ffab00;
+  --md-orange-50: #fff3e0;
+  --md-orange-100: #ffe0b2;
+  --md-orange-200: #ffcc80;
+  --md-orange-300: #ffb74d;
+  --md-orange-400: #ffa726;
+  --md-orange-500: #ff9800;
+  --md-orange-600: #fb8c00;
+  --md-orange-700: #f57c00;
+  --md-orange-800: #ef6c00;
+  --md-orange-900: #e65100;
+  --md-orange-A100: #ffd180;
+  --md-orange-A200: #ffab40;
+  --md-orange-A400: #ff9100;
+  --md-orange-A700: #ff6d00;
+  --md-deep-orange-50: #fbe9e7;
+  --md-deep-orange-100: #ffccbc;
+  --md-deep-orange-200: #ffab91;
+  --md-deep-orange-300: #ff8a65;
+  --md-deep-orange-400: #ff7043;
+  --md-deep-orange-500: #ff5722;
+  --md-deep-orange-600: #f4511e;
+  --md-deep-orange-700: #e64a19;
+  --md-deep-orange-800: #d84315;
+  --md-deep-orange-900: #bf360c;
+  --md-deep-orange-A100: #ff9e80;
+  --md-deep-orange-A200: #ff6e40;
+  --md-deep-orange-A400: #ff3d00;
+  --md-deep-orange-A700: #dd2c00;
+  --md-brown-50: #efebe9;
+  --md-brown-100: #d7ccc8;
+  --md-brown-200: #bcaaa4;
+  --md-brown-300: #a1887f;
+  --md-brown-400: #8d6e63;
+  --md-brown-500: #795548;
+  --md-brown-600: #6d4c41;
+  --md-brown-700: #5d4037;
+  --md-brown-800: #4e342e;
+  --md-brown-900: #3e2723;
+  --md-grey-50: #fafafa;
+  --md-grey-100: #f5f5f5;
+  --md-grey-200: #eee;
+  --md-grey-300: #e0e0e0;
+  --md-grey-400: #bdbdbd;
+  --md-grey-500: #9e9e9e;
+  --md-grey-600: #757575;
+  --md-grey-700: #616161;
+  --md-grey-800: #424242;
+  --md-grey-900: #212121;
+  --md-blue-grey-50: #eceff1;
+  --md-blue-grey-100: #cfd8dc;
+  --md-blue-grey-200: #b0bec5;
+  --md-blue-grey-300: #90a4ae;
+  --md-blue-grey-400: #78909c;
+  --md-blue-grey-500: #607d8b;
+  --md-blue-grey-600: #546e7a;
+  --md-blue-grey-700: #455a64;
+  --md-blue-grey-800: #37474f;
+  --md-blue-grey-900: #263238;
 }
 
 /*-----------------------------------------------------------------------------
@@ -11160,1290 +3771,1183 @@
 
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
-| Copyright (c) 2014-2017, PhosphorJS Contributors
-|
-| Distributed under the terms of the BSD 3-Clause License.
-|
-| The full license is in the file LICENSE, distributed with this software.
-|----------------------------------------------------------------------------*/
-
-
-/* <DEPRECATED> */ body.p-mod-override-cursor *, /* </DEPRECATED> */
-body.lm-mod-override-cursor * {
-  cursor: inherit !important;
-}
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) 2014-2016, Jupyter Development Team.
-|
-| Distributed under the terms of the Modified BSD License.
+| RenderedText
 |----------------------------------------------------------------------------*/
 
-.jp-JSONEditor {
-  display: flex;
-  flex-direction: column;
-  width: 100%;
+:root {
+  /* This is the padding value to fill the gaps between lines containing spans with background color. */
+  --jp-private-code-span-padding: calc(
+    (var(--jp-code-line-height) - 1) * var(--jp-code-font-size) / 2
+  );
 }
 
-.jp-JSONEditor-host {
-  flex: 1 1 auto;
-  border: var(--jp-border-width) solid var(--jp-input-border-color);
-  border-radius: 0px;
-  background: var(--jp-layout-color0);
-  min-height: 50px;
-  padding: 1px;
+.jp-RenderedText {
+  text-align: left;
+  padding-left: var(--jp-code-padding);
+  line-height: var(--jp-code-line-height);
+  font-family: var(--jp-code-font-family);
 }
 
-.jp-JSONEditor.jp-mod-error .jp-JSONEditor-host {
-  border-color: red;
-  outline-color: red;
+.jp-RenderedText pre,
+.jp-RenderedJavaScript pre,
+.jp-RenderedHTMLCommon pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+  border: none;
+  margin: 0;
+  padding: 0;
 }
 
-.jp-JSONEditor-header {
-  display: flex;
-  flex: 1 0 auto;
-  padding: 0 0 0 12px;
+.jp-RenderedText pre a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-header label {
-  flex: 0 0 auto;
+.jp-RenderedText pre a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-commitButton {
-  height: 16px;
-  width: 16px;
-  background-size: 18px;
-  background-repeat: no-repeat;
-  background-position: center;
+.jp-RenderedText pre a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.jp-JSONEditor-host.jp-mod-focused {
-  background-color: var(--jp-input-active-background);
-  border: 1px solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+/* console foregrounds and backgrounds */
+.jp-RenderedText pre .ansi-black-fg {
+  color: #3e424d;
 }
 
-.jp-Editor.jp-mod-dropTarget {
-  border: var(--jp-border-width) solid var(--jp-input-active-border-color);
-  box-shadow: var(--jp-input-box-shadow);
+.jp-RenderedText pre .ansi-red-fg {
+  color: #e75c58;
 }
 
-/* BASICS */
-
-.CodeMirror {
-  /* Set height, width, borders, and global font properties here */
-  font-family: monospace;
-  height: 300px;
-  color: black;
-  direction: ltr;
+.jp-RenderedText pre .ansi-green-fg {
+  color: #00a250;
 }
 
-/* PADDING */
-
-.CodeMirror-lines {
-  padding: 4px 0; /* Vertical padding around content */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  padding: 0 4px; /* Horizontal padding of content */
+.jp-RenderedText pre .ansi-yellow-fg {
+  color: #ddb62b;
 }
 
-.CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  background-color: white; /* The little square between H and V scrollbars */
+.jp-RenderedText pre .ansi-blue-fg {
+  color: #208ffb;
 }
 
-/* GUTTER */
-
-.CodeMirror-gutters {
-  border-right: 1px solid #ddd;
-  background-color: #f7f7f7;
-  white-space: nowrap;
-}
-.CodeMirror-linenumbers {}
-.CodeMirror-linenumber {
-  padding: 0 3px 0 5px;
-  min-width: 20px;
-  text-align: right;
-  color: #999;
-  white-space: nowrap;
+.jp-RenderedText pre .ansi-magenta-fg {
+  color: #d160c4;
 }
 
-.CodeMirror-guttermarker { color: black; }
-.CodeMirror-guttermarker-subtle { color: #999; }
-
-/* CURSOR */
-
-.CodeMirror-cursor {
-  border-left: 1px solid black;
-  border-right: none;
-  width: 0;
-}
-/* Shown when moving in bi-directional text */
-.CodeMirror div.CodeMirror-secondarycursor {
-  border-left: 1px solid silver;
-}
-.cm-fat-cursor .CodeMirror-cursor {
-  width: auto;
-  border: 0 !important;
-  background: #7e7;
-}
-.cm-fat-cursor div.CodeMirror-cursors {
-  z-index: 1;
-}
-.cm-fat-cursor-mark {
-  background-color: rgba(20, 255, 20, 0.5);
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-}
-.cm-animate-fat-cursor {
-  width: auto;
-  border: 0;
-  -webkit-animation: blink 1.06s steps(1) infinite;
-  -moz-animation: blink 1.06s steps(1) infinite;
-  animation: blink 1.06s steps(1) infinite;
-  background-color: #7e7;
-}
-@-moz-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@-webkit-keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
-}
-@keyframes blink {
-  0% {}
-  50% { background-color: transparent; }
-  100% {}
+.jp-RenderedText pre .ansi-cyan-fg {
+  color: #60c6c8;
 }
 
-/* Can style cursor different in overwrite (non-insert) mode */
-.CodeMirror-overwrite .CodeMirror-cursor {}
-
-.cm-tab { display: inline-block; text-decoration: inherit; }
-
-.CodeMirror-rulers {
-  position: absolute;
-  left: 0; right: 0; top: -50px; bottom: 0;
-  overflow: hidden;
-}
-.CodeMirror-ruler {
-  border-left: 1px solid #ccc;
-  top: 0; bottom: 0;
-  position: absolute;
+.jp-RenderedText pre .ansi-white-fg {
+  color: #c5c1b4;
 }
 
-/* DEFAULT THEME */
-
-.cm-s-default .cm-header {color: blue;}
-.cm-s-default .cm-quote {color: #090;}
-.cm-negative {color: #d44;}
-.cm-positive {color: #292;}
-.cm-header, .cm-strong {font-weight: bold;}
-.cm-em {font-style: italic;}
-.cm-link {text-decoration: underline;}
-.cm-strikethrough {text-decoration: line-through;}
-
-.cm-s-default .cm-keyword {color: #708;}
-.cm-s-default .cm-atom {color: #219;}
-.cm-s-default .cm-number {color: #164;}
-.cm-s-default .cm-def {color: #00f;}
-.cm-s-default .cm-variable,
-.cm-s-default .cm-punctuation,
-.cm-s-default .cm-property,
-.cm-s-default .cm-operator {}
-.cm-s-default .cm-variable-2 {color: #05a;}
-.cm-s-default .cm-variable-3, .cm-s-default .cm-type {color: #085;}
-.cm-s-default .cm-comment {color: #a50;}
-.cm-s-default .cm-string {color: #a11;}
-.cm-s-default .cm-string-2 {color: #f50;}
-.cm-s-default .cm-meta {color: #555;}
-.cm-s-default .cm-qualifier {color: #555;}
-.cm-s-default .cm-builtin {color: #30a;}
-.cm-s-default .cm-bracket {color: #997;}
-.cm-s-default .cm-tag {color: #170;}
-.cm-s-default .cm-attribute {color: #00c;}
-.cm-s-default .cm-hr {color: #999;}
-.cm-s-default .cm-link {color: #00c;}
-
-.cm-s-default .cm-error {color: #f00;}
-.cm-invalidchar {color: #f00;}
-
-.CodeMirror-composing { border-bottom: 2px solid; }
-
-/* Default styles for common addons */
-
-div.CodeMirror span.CodeMirror-matchingbracket {color: #0b0;}
-div.CodeMirror span.CodeMirror-nonmatchingbracket {color: #a22;}
-.CodeMirror-matchingtag { background: rgba(255, 150, 0, .3); }
-.CodeMirror-activeline-background {background: #e8f2ff;}
-
-/* STOP */
-
-/* The rest of this file contains styles related to the mechanics of
-   the editor. You probably shouldn't touch them. */
-
-.CodeMirror {
-  position: relative;
-  overflow: hidden;
-  background: white;
+.jp-RenderedText pre .ansi-black-bg {
+  background-color: #3e424d;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-scroll {
-  overflow: scroll !important; /* Things will break if this is overridden */
-  /* 50px is the magic margin used to hide the element's real scrollbars */
-  /* See overflow: hidden in .CodeMirror */
-  margin-bottom: -50px; margin-right: -50px;
-  padding-bottom: 50px;
-  height: 100%;
-  outline: none; /* Prevent dragging from highlighting the element */
-  position: relative;
-}
-.CodeMirror-sizer {
-  position: relative;
-  border-right: 50px solid transparent;
+.jp-RenderedText pre .ansi-red-bg {
+  background-color: #e75c58;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* The fake, visible scrollbars. Used to force redraw during scrolling
-   before actual scrolling happens, thus preventing shaking and
-   flickering artifacts. */
-.CodeMirror-vscrollbar, .CodeMirror-hscrollbar, .CodeMirror-scrollbar-filler, .CodeMirror-gutter-filler {
-  position: absolute;
-  z-index: 6;
-  display: none;
-}
-.CodeMirror-vscrollbar {
-  right: 0; top: 0;
-  overflow-x: hidden;
-  overflow-y: scroll;
-}
-.CodeMirror-hscrollbar {
-  bottom: 0; left: 0;
-  overflow-y: hidden;
-  overflow-x: scroll;
-}
-.CodeMirror-scrollbar-filler {
-  right: 0; bottom: 0;
-}
-.CodeMirror-gutter-filler {
-  left: 0; bottom: 0;
+.jp-RenderedText pre .ansi-green-bg {
+  background-color: #00a250;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-gutters {
-  position: absolute; left: 0; top: 0;
-  min-height: 100%;
-  z-index: 3;
-}
-.CodeMirror-gutter {
-  white-space: normal;
-  height: 100%;
-  display: inline-block;
-  vertical-align: top;
-  margin-bottom: -50px;
-}
-.CodeMirror-gutter-wrapper {
-  position: absolute;
-  z-index: 4;
-  background: none !important;
-  border: none !important;
-}
-.CodeMirror-gutter-background {
-  position: absolute;
-  top: 0; bottom: 0;
-  z-index: 4;
-}
-.CodeMirror-gutter-elt {
-  position: absolute;
-  cursor: default;
-  z-index: 4;
+.jp-RenderedText pre .ansi-yellow-bg {
+  background-color: #ddb62b;
+  padding: var(--jp-private-code-span-padding) 0;
 }
-.CodeMirror-gutter-wrapper ::selection { background-color: transparent }
-.CodeMirror-gutter-wrapper ::-moz-selection { background-color: transparent }
 
-.CodeMirror-lines {
-  cursor: text;
-  min-height: 1px; /* prevents collapsing before first draw */
-}
-.CodeMirror pre.CodeMirror-line,
-.CodeMirror pre.CodeMirror-line-like {
-  /* Reset some styles that the rest of the page might have set */
-  -moz-border-radius: 0; -webkit-border-radius: 0; border-radius: 0;
-  border-width: 0;
-  background: transparent;
-  font-family: inherit;
-  font-size: inherit;
-  margin: 0;
-  white-space: pre;
-  word-wrap: normal;
-  line-height: inherit;
-  color: inherit;
-  z-index: 2;
-  position: relative;
-  overflow: visible;
-  -webkit-tap-highlight-color: transparent;
-  -webkit-font-variant-ligatures: contextual;
-  font-variant-ligatures: contextual;
-}
-.CodeMirror-wrap pre.CodeMirror-line,
-.CodeMirror-wrap pre.CodeMirror-line-like {
-  word-wrap: break-word;
-  white-space: pre-wrap;
-  word-break: normal;
+.jp-RenderedText pre .ansi-blue-bg {
+  background-color: #208ffb;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linebackground {
-  position: absolute;
-  left: 0; right: 0; top: 0; bottom: 0;
-  z-index: 0;
+.jp-RenderedText pre .ansi-magenta-bg {
+  background-color: #d160c4;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-linewidget {
-  position: relative;
-  z-index: 2;
-  padding: 0.1px; /* Force widget margins to stay inside of the container */
+.jp-RenderedText pre .ansi-cyan-bg {
+  background-color: #60c6c8;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-widget {}
+.jp-RenderedText pre .ansi-white-bg {
+  background-color: #c5c1b4;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-rtl pre { direction: rtl; }
+.jp-RenderedText pre .ansi-black-intense-fg {
+  color: #282c36;
+}
 
-.CodeMirror-code {
-  outline: none;
+.jp-RenderedText pre .ansi-red-intense-fg {
+  color: #b22b31;
 }
 
-/* Force content-box sizing for the elements where we expect it */
-.CodeMirror-scroll,
-.CodeMirror-sizer,
-.CodeMirror-gutter,
-.CodeMirror-gutters,
-.CodeMirror-linenumber {
-  -moz-box-sizing: content-box;
-  box-sizing: content-box;
+.jp-RenderedText pre .ansi-green-intense-fg {
+  color: #007427;
 }
 
-.CodeMirror-measure {
-  position: absolute;
-  width: 100%;
-  height: 0;
-  overflow: hidden;
-  visibility: hidden;
+.jp-RenderedText pre .ansi-yellow-intense-fg {
+  color: #b27d12;
 }
 
-.CodeMirror-cursor {
-  position: absolute;
-  pointer-events: none;
+.jp-RenderedText pre .ansi-blue-intense-fg {
+  color: #0065ca;
 }
-.CodeMirror-measure pre { position: static; }
 
-div.CodeMirror-cursors {
-  visibility: hidden;
-  position: relative;
-  z-index: 3;
+.jp-RenderedText pre .ansi-magenta-intense-fg {
+  color: #a03196;
 }
-div.CodeMirror-dragcursors {
-  visibility: visible;
+
+.jp-RenderedText pre .ansi-cyan-intense-fg {
+  color: #258f8f;
 }
 
-.CodeMirror-focused div.CodeMirror-cursors {
-  visibility: visible;
+.jp-RenderedText pre .ansi-white-intense-fg {
+  color: #a1a6b2;
 }
 
-.CodeMirror-selected { background: #d9d9d9; }
-.CodeMirror-focused .CodeMirror-selected { background: #d7d4f0; }
-.CodeMirror-crosshair { cursor: crosshair; }
-.CodeMirror-line::selection, .CodeMirror-line > span::selection, .CodeMirror-line > span > span::selection { background: #d7d4f0; }
-.CodeMirror-line::-moz-selection, .CodeMirror-line > span::-moz-selection, .CodeMirror-line > span > span::-moz-selection { background: #d7d4f0; }
+.jp-RenderedText pre .ansi-black-intense-bg {
+  background-color: #282c36;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.cm-searching {
-  background-color: #ffa;
-  background-color: rgba(255, 255, 0, .4);
+.jp-RenderedText pre .ansi-red-intense-bg {
+  background-color: #b22b31;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* Used to force a border model for a node */
-.cm-force-border { padding-right: .1px; }
+.jp-RenderedText pre .ansi-green-intense-bg {
+  background-color: #007427;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-@media print {
-  /* Hide the cursor when printing */
-  .CodeMirror div.CodeMirror-cursors {
-    visibility: hidden;
-  }
+.jp-RenderedText pre .ansi-yellow-intense-bg {
+  background-color: #b27d12;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-/* See issue #2901 */
-.cm-tab-wrap-hack:after { content: ''; }
+.jp-RenderedText pre .ansi-blue-intense-bg {
+  background-color: #0065ca;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-/* Help users use markselection to safely style text background */
-span.CodeMirror-selectedtext { background: none; }
+.jp-RenderedText pre .ansi-magenta-intense-bg {
+  background-color: #a03196;
+  padding: var(--jp-private-code-span-padding) 0;
+}
 
-.CodeMirror-dialog {
-  position: absolute;
-  left: 0; right: 0;
-  background: inherit;
-  z-index: 15;
-  padding: .1em .8em;
-  overflow: hidden;
-  color: inherit;
+.jp-RenderedText pre .ansi-cyan-intense-bg {
+  background-color: #258f8f;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-top {
-  border-bottom: 1px solid #eee;
-  top: 0;
+.jp-RenderedText pre .ansi-white-intense-bg {
+  background-color: #a1a6b2;
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog-bottom {
-  border-top: 1px solid #eee;
-  bottom: 0;
+.jp-RenderedText pre .ansi-default-inverse-fg {
+  color: var(--jp-ui-inverse-font-color0);
 }
 
-.CodeMirror-dialog input {
-  border: none;
-  outline: none;
-  background: transparent;
-  width: 20em;
-  color: inherit;
-  font-family: monospace;
+.jp-RenderedText pre .ansi-default-inverse-bg {
+  background-color: var(--jp-inverse-layout-color0);
+  padding: var(--jp-private-code-span-padding) 0;
 }
 
-.CodeMirror-dialog button {
-  font-size: 70%;
+.jp-RenderedText pre .ansi-bold {
+  font-weight: bold;
 }
 
-.CodeMirror-foldmarker {
-  color: blue;
-  text-shadow: #b9f 1px 1px 2px, #b9f -1px -1px 2px, #b9f 1px -1px 2px, #b9f -1px 1px 2px;
-  font-family: arial;
-  line-height: .3;
-  cursor: pointer;
-}
-.CodeMirror-foldgutter {
-  width: .7em;
-}
-.CodeMirror-foldgutter-open,
-.CodeMirror-foldgutter-folded {
-  cursor: pointer;
-}
-.CodeMirror-foldgutter-open:after {
-  content: "\25BE";
+.jp-RenderedText pre .ansi-underline {
+  text-decoration: underline;
 }
-.CodeMirror-foldgutter-folded:after {
-  content: "\25B8";
+
+.jp-RenderedText[data-mime-type='application/vnd.jupyter.stderr'] {
+  background: var(--jp-rendermime-error-background);
+  padding-top: var(--jp-code-padding);
 }
 
 /*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
+| RenderedLatex
 |----------------------------------------------------------------------------*/
 
-.CodeMirror {
-  line-height: var(--jp-code-line-height);
-  font-size: var(--jp-code-font-size);
-  font-family: var(--jp-code-font-family);
-  border: 0;
-  border-radius: 0;
-  height: auto;
-  /* Changed to auto to autogrow */
+.jp-RenderedLatex {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
 }
 
-.CodeMirror pre {
-  padding: 0 var(--jp-code-padding);
+/* Left-justify outputs.*/
+.jp-OutputArea-output.jp-RenderedLatex {
+  padding: var(--jp-code-padding);
+  text-align: left;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-dialog {
-  background-color: var(--jp-layout-color0);
+/*-----------------------------------------------------------------------------
+| RenderedHTML
+|----------------------------------------------------------------------------*/
+
+.jp-RenderedHTMLCommon {
   color: var(--jp-content-font-color1);
+  font-family: var(--jp-content-font-family);
+  font-size: var(--jp-content-font-size1);
+  line-height: var(--jp-content-line-height);
+
+  /* Give a bit more R padding on Markdown text to keep line lengths reasonable */
+  padding-right: 20px;
 }
 
-/* This causes https://github.com/jupyter/jupyterlab/issues/522 */
-/* May not cause it not because we changed it! */
-.CodeMirror-lines {
-  padding: var(--jp-code-padding) 0;
+.jp-RenderedHTMLCommon em {
+  font-style: italic;
 }
 
-.CodeMirror-linenumber {
-  padding: 0 8px;
+.jp-RenderedHTMLCommon strong {
+  font-weight: bold;
 }
 
-.jp-CodeMirrorEditor {
-  cursor: text;
+.jp-RenderedHTMLCommon u {
+  text-decoration: underline;
 }
 
-.jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
+.jp-RenderedHTMLCommon a:link {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
-@media screen and (min-width: 2138px) and (max-width: 4319px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width1) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:hover {
+  text-decoration: underline;
+  color: var(--jp-content-link-color);
 }
 
-/* When zoomed out less than 33% */
-@media screen and (min-width: 4320px) {
-  .jp-CodeMirrorEditor[data-type='inline'] .CodeMirror-cursor {
-    border-left: var(--jp-code-cursor-width2) solid
-      var(--jp-editor-cursor-color);
-  }
+.jp-RenderedHTMLCommon a:visited {
+  text-decoration: none;
+  color: var(--jp-content-link-color);
 }
 
-.CodeMirror.jp-mod-readOnly .CodeMirror-cursor {
-  display: none;
+/* Headings */
+
+.jp-RenderedHTMLCommon h1,
+.jp-RenderedHTMLCommon h2,
+.jp-RenderedHTMLCommon h3,
+.jp-RenderedHTMLCommon h4,
+.jp-RenderedHTMLCommon h5,
+.jp-RenderedHTMLCommon h6 {
+  line-height: var(--jp-content-heading-line-height);
+  font-weight: var(--jp-content-heading-font-weight);
+  font-style: normal;
+  margin: var(--jp-content-heading-margin-top) 0
+    var(--jp-content-heading-margin-bottom) 0;
 }
 
-.CodeMirror-gutters {
-  border-right: 1px solid var(--jp-border-color2);
-  background-color: var(--jp-layout-color0);
+.jp-RenderedHTMLCommon h1:first-child,
+.jp-RenderedHTMLCommon h2:first-child,
+.jp-RenderedHTMLCommon h3:first-child,
+.jp-RenderedHTMLCommon h4:first-child,
+.jp-RenderedHTMLCommon h5:first-child,
+.jp-RenderedHTMLCommon h6:first-child {
+  margin-top: calc(0.5 * var(--jp-content-heading-margin-top));
 }
 
-.jp-CollaboratorCursor {
-  border-left: 5px solid transparent;
-  border-right: 5px solid transparent;
-  border-top: none;
-  border-bottom: 3px solid;
-  background-clip: content-box;
-  margin-left: -5px;
-  margin-right: -5px;
+.jp-RenderedHTMLCommon h1:last-child,
+.jp-RenderedHTMLCommon h2:last-child,
+.jp-RenderedHTMLCommon h3:last-child,
+.jp-RenderedHTMLCommon h4:last-child,
+.jp-RenderedHTMLCommon h5:last-child,
+.jp-RenderedHTMLCommon h6:last-child {
+  margin-bottom: calc(0.5 * var(--jp-content-heading-margin-bottom));
 }
 
-.CodeMirror-selectedtext.cm-searching {
-  background-color: var(--jp-search-selected-match-background-color) !important;
-  color: var(--jp-search-selected-match-color) !important;
+.jp-RenderedHTMLCommon h1 {
+  font-size: var(--jp-content-font-size5);
 }
 
-.cm-searching {
-  background-color: var(
-    --jp-search-unselected-match-background-color
-  ) !important;
-  color: var(--jp-search-unselected-match-color) !important;
+.jp-RenderedHTMLCommon h2 {
+  font-size: var(--jp-content-font-size4);
 }
 
-.CodeMirror-focused .CodeMirror-selected {
-  background-color: var(--jp-editor-selected-focused-background);
+.jp-RenderedHTMLCommon h3 {
+  font-size: var(--jp-content-font-size3);
 }
 
-.CodeMirror-selected {
-  background-color: var(--jp-editor-selected-background);
+.jp-RenderedHTMLCommon h4 {
+  font-size: var(--jp-content-font-size2);
 }
 
-.jp-CollaboratorCursor-hover {
-  position: absolute;
-  z-index: 1;
-  transform: translateX(-50%);
-  color: white;
-  border-radius: 3px;
-  padding-left: 4px;
-  padding-right: 4px;
-  padding-top: 1px;
-  padding-bottom: 1px;
-  text-align: center;
-  font-size: var(--jp-ui-font-size1);
-  white-space: nowrap;
+.jp-RenderedHTMLCommon h5 {
+  font-size: var(--jp-content-font-size1);
 }
 
-.jp-CodeMirror-ruler {
-  border-left: 1px dashed var(--jp-border-color2);
+.jp-RenderedHTMLCommon h6 {
+  font-size: var(--jp-content-font-size0);
 }
 
-/**
- * Here is our jupyter theme for CodeMirror syntax highlighting
- * This is used in our marked.js syntax highlighting and CodeMirror itself
- * The string "jupyter" is set in ../codemirror/widget.DEFAULT_CODEMIRROR_THEME
- * This came from the classic notebook, which came form highlight.js/GitHub
- */
+/* Lists */
 
-/**
- * CodeMirror themes are handling the background/color in this way. This works
- * fine for CodeMirror editors outside the notebook, but the notebook styles
- * these things differently.
- */
-.CodeMirror.cm-s-jupyter {
-  background: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-}
+/* stylelint-disable selector-max-type, selector-max-compound-selectors */
 
-/* In the notebook, we want this styling to be handled by its container */
-.jp-CodeConsole .CodeMirror.cm-s-jupyter,
-.jp-Notebook .CodeMirror.cm-s-jupyter {
-  background: transparent;
+.jp-RenderedHTMLCommon ul:not(.list-inline),
+.jp-RenderedHTMLCommon ol:not(.list-inline) {
+  padding-left: 2em;
 }
 
-.cm-s-jupyter .CodeMirror-cursor {
-  border-left: var(--jp-code-cursor-width0) solid var(--jp-editor-cursor-color);
-}
-.cm-s-jupyter span.cm-keyword {
-  color: var(--jp-mirror-editor-keyword-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-atom {
-  color: var(--jp-mirror-editor-atom-color);
-}
-.cm-s-jupyter span.cm-number {
-  color: var(--jp-mirror-editor-number-color);
-}
-.cm-s-jupyter span.cm-def {
-  color: var(--jp-mirror-editor-def-color);
-}
-.cm-s-jupyter span.cm-variable {
-  color: var(--jp-mirror-editor-variable-color);
-}
-.cm-s-jupyter span.cm-variable-2 {
-  color: var(--jp-mirror-editor-variable-2-color);
-}
-.cm-s-jupyter span.cm-variable-3 {
-  color: var(--jp-mirror-editor-variable-3-color);
-}
-.cm-s-jupyter span.cm-punctuation {
-  color: var(--jp-mirror-editor-punctuation-color);
-}
-.cm-s-jupyter span.cm-property {
-  color: var(--jp-mirror-editor-property-color);
-}
-.cm-s-jupyter span.cm-operator {
-  color: var(--jp-mirror-editor-operator-color);
-  font-weight: bold;
-}
-.cm-s-jupyter span.cm-comment {
-  color: var(--jp-mirror-editor-comment-color);
-  font-style: italic;
-}
-.cm-s-jupyter span.cm-string {
-  color: var(--jp-mirror-editor-string-color);
-}
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+/*-----------------------------------------------------------------------------
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+| Distributed under the terms of the BSD 3-Clause License.
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+/*
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+  background-color: var(--jp-toolbar-background);
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  border-left: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  top: 0;
+  right: 0;
+  z-index: 7;
+  min-width: 405px;
+  padding: 2px;
+  font-size: var(--jp-ui-font-size1);
 
-.jp-RenderedHTMLCommon h1 {
-  font-size: var(--jp-content-font-size5);
+  --jp-private-document-search-button-height: 20px;
 }
 
-.jp-RenderedHTMLCommon h2 {
-  font-size: var(--jp-content-font-size4);
+.jp-DocumentSearch-overlay button {
+  background-color: var(--jp-toolbar-background);
+  outline: 0;
 }
 
-.jp-RenderedHTMLCommon h3 {
-  font-size: var(--jp-content-font-size3);
+.jp-DocumentSearch-overlay button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon h4 {
-  font-size: var(--jp-content-font-size2);
+.jp-DocumentSearch-overlay button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon h5 {
-  font-size: var(--jp-content-font-size1);
+.jp-DocumentSearch-overlay-row {
+  display: flex;
+  align-items: center;
+  margin-bottom: 2px;
 }
 
-.jp-RenderedHTMLCommon h6 {
-  font-size: var(--jp-content-font-size0);
+.jp-DocumentSearch-button-content {
+  display: inline-block;
+  cursor: pointer;
+  box-sizing: border-box;
+  width: 100%;
+  height: 100%;
 }
 
-/* Lists */
-
-.jp-RenderedHTMLCommon ul:not(.list-inline),
-.jp-RenderedHTMLCommon ol:not(.list-inline) {
-  padding-left: 2em;
+.jp-DocumentSearch-button-content svg {
+  width: 100%;
+  height: 100%;
 }
 
-.jp-RenderedHTMLCommon ul {
-  list-style: disc;
+.jp-DocumentSearch-input-wrapper {
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  display: flex;
+  background-color: var(--jp-layout-color0);
+  margin: 2px;
 }
 
-.jp-RenderedHTMLCommon ul ul {
-  list-style: square;
+.jp-DocumentSearch-input-wrapper:focus-within {
+  border-color: var(--jp-cell-editor-active-border-color);
 }
 
-.jp-RenderedHTMLCommon ul ul ul {
-  list-style: circle;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper {
+  all: initial;
+  overflow: hidden;
+  display: inline-block;
+  border: none;
+  box-sizing: border-box;
 }
 
-.jp-RenderedHTMLCommon ol {
-  list-style: decimal;
+.jp-DocumentSearch-toggle-wrapper {
+  width: 14px;
+  height: 14px;
 }
 
-.jp-RenderedHTMLCommon ol ol {
-  list-style: upper-alpha;
+.jp-DocumentSearch-button-wrapper {
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
 }
 
-.jp-RenderedHTMLCommon ol ol ol {
-  list-style: lower-alpha;
+.jp-DocumentSearch-toggle-wrapper:focus,
+.jp-DocumentSearch-button-wrapper:focus {
+  outline: var(--jp-border-width) solid
+    var(--jp-cell-editor-active-border-color);
+  outline-offset: -1px;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol {
-  list-style: lower-roman;
+.jp-DocumentSearch-toggle-wrapper,
+.jp-DocumentSearch-button-wrapper,
+.jp-DocumentSearch-button-content:focus {
+  outline: none;
 }
 
-.jp-RenderedHTMLCommon ol ol ol ol ol {
-  list-style: decimal;
+.jp-DocumentSearch-toggle-placeholder {
+  width: 5px;
 }
 
-.jp-RenderedHTMLCommon ol,
-.jp-RenderedHTMLCommon ul {
-  margin-bottom: 1em;
+.jp-DocumentSearch-input-button::before {
+  display: block;
+  padding-top: 100%;
 }
 
-.jp-RenderedHTMLCommon ul ul,
-.jp-RenderedHTMLCommon ul ol,
-.jp-RenderedHTMLCommon ol ul,
-.jp-RenderedHTMLCommon ol ol {
-  margin-bottom: 0em;
+.jp-DocumentSearch-input-button-off {
+  opacity: var(--jp-search-toggle-off-opacity);
 }
 
-.jp-RenderedHTMLCommon hr {
-  color: var(--jp-border-color2);
-  background-color: var(--jp-border-color1);
-  margin-top: 1em;
-  margin-bottom: 1em;
+.jp-DocumentSearch-input-button-off:hover {
+  opacity: var(--jp-search-toggle-hover-opacity);
 }
 
-.jp-RenderedHTMLCommon > pre {
-  margin: 1.5em 2em;
+.jp-DocumentSearch-input-button-on {
+  opacity: var(--jp-search-toggle-on-opacity);
 }
 
-.jp-RenderedHTMLCommon pre,
-.jp-RenderedHTMLCommon code {
-  border: 0;
-  background-color: var(--jp-layout-color0);
-  color: var(--jp-content-font-color1);
-  font-family: var(--jp-code-font-family);
-  font-size: inherit;
-  line-height: var(--jp-code-line-height);
-  padding: 0;
-  white-space: pre-wrap;
+.jp-DocumentSearch-index-counter {
+  padding-left: 10px;
+  padding-right: 10px;
+  user-select: none;
+  min-width: 35px;
+  display: inline-block;
 }
 
-.jp-RenderedHTMLCommon :not(pre) > code {
-  background-color: var(--jp-layout-color2);
-  padding: 1px 5px;
+.jp-DocumentSearch-up-down-wrapper {
+  display: inline-block;
+  padding-right: 2px;
+  margin-left: auto;
+  white-space: nowrap;
 }
 
-/* Tables */
+.jp-DocumentSearch-spacer {
+  margin-left: auto;
+}
 
-.jp-RenderedHTMLCommon table {
-  border-collapse: collapse;
-  border-spacing: 0;
+.jp-DocumentSearch-up-down-wrapper button {
+  outline: 0;
   border: none;
-  color: var(--jp-ui-font-color1);
-  font-size: 12px;
-  table-layout: fixed;
-  margin-left: auto;
-  margin-right: auto;
+  width: var(--jp-private-document-search-button-height);
+  height: var(--jp-private-document-search-button-height);
+  vertical-align: middle;
+  margin: 1px 5px 2px;
 }
 
-.jp-RenderedHTMLCommon thead {
-  border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
-  vertical-align: bottom;
+.jp-DocumentSearch-up-down-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon td,
-.jp-RenderedHTMLCommon th,
-.jp-RenderedHTMLCommon tr {
-  vertical-align: middle;
-  padding: 0.5em 0.5em;
-  line-height: normal;
-  white-space: normal;
-  max-width: none;
-  border: none;
+.jp-DocumentSearch-up-down-button:active {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon td,
-.jp-RenderedMarkdown.jp-RenderedHTMLCommon th {
-  max-width: none;
+.jp-DocumentSearch-filter-button {
+  border-radius: var(--jp-border-radius);
 }
 
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon td,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon th,
-:not(.jp-RenderedMarkdown).jp-RenderedHTMLCommon tr {
-  text-align: right;
+.jp-DocumentSearch-filter-button:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon th {
-  font-weight: bold;
+.jp-DocumentSearch-filter-button-enabled {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(odd) {
-  background: var(--jp-layout-color0);
+.jp-DocumentSearch-filter-button-enabled:hover {
+  background-color: var(--jp-layout-color3);
 }
 
-.jp-RenderedHTMLCommon tbody tr:nth-child(even) {
-  background: var(--jp-rendermime-table-row-background);
+.jp-DocumentSearch-search-options {
+  padding: 0 8px;
+  margin-left: 3px;
+  width: 100%;
+  display: grid;
+  justify-content: start;
+  grid-template-columns: 1fr 1fr;
+  align-items: center;
+  justify-items: stretch;
 }
 
-.jp-RenderedHTMLCommon tbody tr:hover {
-  background: var(--jp-rendermime-table-row-hover-background);
+.jp-DocumentSearch-search-filter-disabled {
+  color: var(--jp-ui-font-color2);
 }
 
-.jp-RenderedHTMLCommon table {
-  margin-bottom: 1em;
+.jp-DocumentSearch-search-filter {
+  display: flex;
+  align-items: center;
+  user-select: none;
 }
 
-.jp-RenderedHTMLCommon p {
-  text-align: left;
-  margin: 0px;
+.jp-DocumentSearch-regex-error {
+  color: var(--jp-error-color0);
 }
 
-.jp-RenderedHTMLCommon p {
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button-wrapper {
+  overflow: hidden;
+  display: inline-block;
+  box-sizing: border-box;
+  border: var(--jp-border-width) solid var(--jp-border-color0);
+  margin: auto 2px;
+  padding: 1px 4px;
+  height: calc(var(--jp-private-document-search-button-height) + 2px);
 }
 
-.jp-RenderedHTMLCommon img {
-  -moz-force-broken-image-icon: 1;
+.jp-DocumentSearch-replace-button-wrapper:focus {
+  border: var(--jp-border-width) solid var(--jp-cell-editor-active-border-color);
 }
 
-/* Restrict to direct children as other images could be nested in other content. */
-.jp-RenderedHTMLCommon > img {
-  display: block;
-  margin-left: 0;
-  margin-right: 0;
-  margin-bottom: 1em;
+.jp-DocumentSearch-replace-button {
+  display: inline-block;
+  text-align: center;
+  cursor: pointer;
+  box-sizing: border-box;
+  color: var(--jp-ui-font-color1);
+
+  /* height - 2 * (padding of wrapper) */
+  line-height: calc(var(--jp-private-document-search-button-height) - 2px);
+  width: 100%;
+  height: 100%;
 }
 
-/* Change color behind transparent images if they need it... */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-light-background {
-  background-color: var(--jp-inverse-layout-color1);
+.jp-DocumentSearch-replace-button:focus {
+  outline: none;
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-dark-background {
-  background-color: var(--jp-inverse-layout-color1);
+
+.jp-DocumentSearch-replace-wrapper-class {
+  margin-left: 14px;
+  display: flex;
 }
-/* ...or leave it untouched if they don't */
-[data-jp-theme-light='false'] .jp-RenderedImage img.jp-needs-dark-background {
+
+.jp-DocumentSearch-replace-toggle {
+  border: none;
+  background-color: var(--jp-toolbar-background);
+  border-radius: var(--jp-border-radius);
 }
-[data-jp-theme-light='true'] .jp-RenderedImage img.jp-needs-light-background {
+
+.jp-DocumentSearch-replace-toggle:hover {
+  background-color: var(--jp-layout-color2);
 }
 
-.jp-RenderedHTMLCommon img,
-.jp-RenderedImage img,
-.jp-RenderedHTMLCommon svg,
-.jp-RenderedSVG svg {
-  max-width: 100%;
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+.cm-editor {
+  line-height: var(--jp-code-line-height);
+  font-size: var(--jp-code-font-size);
+  font-family: var(--jp-code-font-family);
+  border: 0;
+  border-radius: 0;
   height: auto;
-}
 
-.jp-RenderedHTMLCommon img.jp-mod-unconfined,
-.jp-RenderedImage img.jp-mod-unconfined,
-.jp-RenderedHTMLCommon svg.jp-mod-unconfined,
-.jp-RenderedSVG svg.jp-mod-unconfined {
-  max-width: none;
+  /* Changed to auto to autogrow */
 }
 
-.jp-RenderedHTMLCommon .alert {
-  padding: var(--jp-notebook-padding);
-  border: var(--jp-border-width) solid transparent;
-  border-radius: var(--jp-border-radius);
-  margin-bottom: 1em;
+.cm-editor pre {
+  padding: 0 var(--jp-code-padding);
 }
 
-.jp-RenderedHTMLCommon .alert-info {
-  color: var(--jp-info-color0);
-  background-color: var(--jp-info-color3);
-  border-color: var(--jp-info-color2);
+.jp-CodeMirrorEditor[data-type='inline'] .cm-dialog {
+  background-color: var(--jp-layout-color0);
+  color: var(--jp-content-font-color1);
 }
-.jp-RenderedHTMLCommon .alert-info hr {
-  border-color: var(--jp-info-color3);
+
+.jp-CodeMirrorEditor {
+  cursor: text;
 }
-.jp-RenderedHTMLCommon .alert-info > p:last-child,
-.jp-RenderedHTMLCommon .alert-info > ul:last-child {
-  margin-bottom: 0;
+
+/* When zoomed out 67% and 33% on a screen of 1440 width x 900 height */
+@media screen and (min-width: 2138px) and (max-width: 4319px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width1) solid
+      var(--jp-editor-cursor-color);
+  }
 }
 
-.jp-RenderedHTMLCommon .alert-warning {
-  color: var(--jp-warn-color0);
-  background-color: var(--jp-warn-color3);
-  border-color: var(--jp-warn-color2);
+/* When zoomed out less than 33% */
+@media screen and (min-width: 4320px) {
+  .jp-CodeMirrorEditor[data-type='inline'] .cm-cursor {
+    border-left: var(--jp-code-cursor-width2) solid
+      var(--jp-editor-cursor-color);
+  }
 }
-.jp-RenderedHTMLCommon .alert-warning hr {
-  border-color: var(--jp-warn-color3);
+
+.cm-editor.jp-mod-readOnly .cm-cursor {
+  display: none;
 }
-.jp-RenderedHTMLCommon .alert-warning > p:last-child,
-.jp-RenderedHTMLCommon .alert-warning > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor {
+  border-left: 5px solid transparent;
+  border-right: 5px solid transparent;
+  border-top: none;
+  border-bottom: 3px solid;
+  background-clip: content-box;
+  margin-left: -5px;
+  margin-right: -5px;
 }
 
-.jp-RenderedHTMLCommon .alert-success {
-  color: var(--jp-success-color0);
-  background-color: var(--jp-success-color3);
-  border-color: var(--jp-success-color2);
+.cm-searching,
+.cm-searching span {
+  /* `.cm-searching span`: we need to override syntax highlighting */
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success hr {
-  border-color: var(--jp-success-color3);
+
+.cm-searching::selection,
+.cm-searching span::selection {
+  background-color: var(--jp-search-unselected-match-background-color);
+  color: var(--jp-search-unselected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-success > p:last-child,
-.jp-RenderedHTMLCommon .alert-success > ul:last-child {
-  margin-bottom: 0;
+
+.jp-current-match > .cm-searching,
+.jp-current-match > .cm-searching span,
+.cm-searching > .jp-current-match,
+.cm-searching > .jp-current-match span {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
 
-.jp-RenderedHTMLCommon .alert-danger {
-  color: var(--jp-error-color0);
-  background-color: var(--jp-error-color3);
-  border-color: var(--jp-error-color2);
+.jp-current-match > .cm-searching::selection,
+.cm-searching > .jp-current-match::selection,
+.jp-current-match > .cm-searching span::selection {
+  background-color: var(--jp-search-selected-match-background-color);
+  color: var(--jp-search-selected-match-color);
 }
-.jp-RenderedHTMLCommon .alert-danger hr {
-  border-color: var(--jp-error-color3);
+
+.cm-trailingspace {
+  background-image: url(data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAFCAYAAAB4ka1VAAAAsElEQVQIHQGlAFr/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA7+r3zKmT0/+pk9P/7+r3zAAAAAAAAAAABAAAAAAAAAAA6OPzM+/q9wAAAAAA6OPzMwAAAAAAAAAAAgAAAAAAAAAAGR8NiRQaCgAZIA0AGR8NiQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQyoYJ/SY80UAAAAASUVORK5CYII=);
+  background-position: center left;
+  background-repeat: repeat-x;
 }
-.jp-RenderedHTMLCommon .alert-danger > p:last-child,
-.jp-RenderedHTMLCommon .alert-danger > ul:last-child {
-  margin-bottom: 0;
+
+.jp-CollaboratorCursor-hover {
+  position: absolute;
+  z-index: 1;
+  transform: translateX(-50%);
+  color: white;
+  border-radius: 3px;
+  padding-left: 4px;
+  padding-right: 4px;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  text-align: center;
+  font-size: var(--jp-ui-font-size1);
+  white-space: nowrap;
 }
 
-.jp-RenderedHTMLCommon blockquote {
-  margin: 1em 2em;
-  padding: 0 1em;
-  border-left: 5px solid var(--jp-border-color2);
+.jp-CodeMirror-ruler {
+  border-left: 1px dashed var(--jp-border-color2);
 }
 
-a.jp-InternalAnchorLink {
-  visibility: hidden;
-  margin-left: 8px;
-  color: var(--md-blue-800);
+/* Styles for shared cursors (remote cursor locations and selected ranges) */
+.jp-CodeMirrorEditor .cm-ySelectionCaret {
+  position: relative;
+  border-left: 1px solid black;
+  margin-left: -1px;
+  margin-right: -1px;
+  box-sizing: border-box;
 }
 
-h1:hover .jp-InternalAnchorLink,
-h2:hover .jp-InternalAnchorLink,
-h3:hover .jp-InternalAnchorLink,
-h4:hover .jp-InternalAnchorLink,
-h5:hover .jp-InternalAnchorLink,
-h6:hover .jp-InternalAnchorLink {
-  visibility: visible;
+.jp-CodeMirrorEditor .cm-ySelectionCaret > .cm-ySelectionInfo {
+  white-space: nowrap;
+  position: absolute;
+  top: -1.15em;
+  padding-bottom: 0.05em;
+  left: -1px;
+  font-size: 0.95em;
+  font-family: var(--jp-ui-font-family);
+  font-weight: bold;
+  line-height: normal;
+  user-select: none;
+  color: white;
+  padding-left: 2px;
+  padding-right: 2px;
+  z-index: 101;
+  transition: opacity 0.3s ease-in-out;
 }
 
-.jp-RenderedHTMLCommon kbd {
-  background-color: var(--jp-rendermime-table-row-background);
-  border: 1px solid var(--jp-border-color0);
-  border-bottom-color: var(--jp-border-color2);
-  border-radius: 3px;
-  box-shadow: inset 0 -1px 0 rgba(0, 0, 0, 0.25);
-  display: inline-block;
-  font-size: 0.8em;
-  line-height: 1em;
-  padding: 0.2em 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionInfo {
+  transition-delay: 0.7s;
+  opacity: 0;
 }
 
-/* Most direct children of .jp-RenderedHTMLCommon have a margin-bottom of 1.0.
- * At the bottom of cells this is a bit too much as there is also spacing
- * between cells. Going all the way to 0 gets too tight between markdown and
- * code cells.
- */
-.jp-RenderedHTMLCommon > *:last-child {
-  margin-bottom: 0.5em;
+.jp-CodeMirrorEditor .cm-ySelectionCaret:hover > .cm-ySelectionInfo {
+  opacity: 1;
+  transition-delay: 0s;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12474,31 +4978,36 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser {
+.jp-FileBrowser .jp-SidePanel-content {
   display: flex;
-  flex-direction: column;
-  color: var(--jp-ui-font-color1);
-  background: var(--jp-layout-color1);
-  /* This is needed so that all font sizing of children done in ems is
-   * relative to this base size */
-  font-size: var(--jp-ui-font-size1);
+  flex-direction: column;
 }
 
 .jp-FileBrowser-toolbar.jp-Toolbar {
+  flex-wrap: wrap;
+  row-gap: 12px;
   border-bottom: none;
   height: auto;
-  margin: var(--jp-toolbar-header-margin);
+  margin: 8px 12px 0;
   box-shadow: none;
+  padding: 0;
+  justify-content: flex-start;
+}
+
+.jp-FileBrowser-Panel {
+  flex: 1 1 auto;
+  display: flex;
+  flex-direction: column;
 }
 
 .jp-BreadCrumbs {
   flex: 0 0 auto;
-  margin: 8px 12px 8px 12px;
+  margin: 8px 12px;
 }
 
 .jp-BreadCrumbs-item {
-  margin: 0px 2px;
-  padding: 0px 2px;
+  margin: 0 2px;
+  padding: 0 2px;
   border-radius: var(--jp-border-radius);
   cursor: pointer;
 }
@@ -12508,7 +5017,7 @@
 }
 
 .jp-BreadCrumbs-item:first-child {
-  margin-left: 0px;
+  margin-left: 0;
 }
 
 .jp-BreadCrumbs-item.jp-mod-dropTarget {
@@ -12520,45 +5029,24 @@
 | Buttons
 |----------------------------------------------------------------------------*/
 
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  padding: 0px;
-  margin: 8px 12px 0px 12px;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar {
-  justify-content: flex-start;
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-Toolbar-item {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item {
   flex: 0 0 auto;
-  padding-left: 0px;
+  padding-left: 0;
   padding-right: 2px;
+  align-items: center;
+  height: unset;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar .jp-ToolbarButtonComponent {
+.jp-FileBrowser-toolbar > .jp-Toolbar-item .jp-ToolbarButtonComponent {
   width: 40px;
 }
 
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent {
-  width: 72px;
-  background: var(--jp-brand-color1);
-}
-
-.jp-FileBrowser-toolbar.jp-Toolbar
-  .jp-Toolbar-item:first-child
-  .jp-ToolbarButtonComponent
-  .jp-icon3 {
-  fill: white;
-}
-
 /*-----------------------------------------------------------------------------
 | Other styles
 |----------------------------------------------------------------------------*/
 
 .jp-FileDialog.jp-mod-conflict input {
-  color: red;
+  color: var(--jp-error-color1);
 }
 
 .jp-FileDialog .jp-new-name-title {
@@ -12569,10 +5057,12 @@
   display: none;
 }
 
-.jp-FileBrowser-filterBox {
-  padding: 0px;
-  flex: 0 0 auto;
-  margin: 8px 12px 0px 12px;
+.jp-FileSize-hidden {
+  display: none;
+}
+
+.jp-FileBrowser .lm-AccordionPanel > h3:first-child {
+  display: none;
 }
 
 /*-----------------------------------------------------------------------------
@@ -12590,6 +5080,7 @@
   flex: 0 0 auto;
   display: flex;
   flex-direction: row;
+  align-items: center;
   overflow: hidden;
   border-top: var(--jp-border-width) solid var(--jp-border-color2);
   border-bottom: var(--jp-border-width) solid var(--jp-border-color1);
@@ -12598,7 +5089,7 @@
 }
 
 .jp-DirListing-headerItem {
-  padding: 4px 12px 2px 12px;
+  padding: 4px 12px 2px;
   font-weight: 500;
 }
 
@@ -12616,10 +5107,16 @@
   text-align: right;
 }
 
+.jp-DirListing-headerItem.jp-id-filesize {
+  flex: 0 0 75px;
+  border-left: var(--jp-border-width) solid var(--jp-border-color2);
+  text-align: right;
+}
+
 .jp-id-narrow {
   display: none;
   flex: 0 0 5px;
-  padding: 4px 4px;
+  padding: 4px;
   border-left: var(--jp-border-width) solid var(--jp-border-color2);
   text-align: right;
   color: var(--jp-border-color2);
@@ -12654,6 +5151,10 @@
   font-weight: bold;
 }
 
+.jp-DirListing-content .jp-DirListing-item.jp-mod-selected mark {
+  color: var(--jp-ui-inverse-font-color0);
+}
+
 /* Style the directory listing content when a user drops a file to upload */
 .jp-DirListing.jp-mod-native-drop .jp-DirListing-content {
   outline: 5px dashed rgba(128, 128, 128, 0.5);
@@ -12664,6 +5165,7 @@
 .jp-DirListing-item {
   display: flex;
   flex-direction: row;
+  align-items: center;
   padding: 4px 12px;
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12671,12 +5173,46 @@
   user-select: none;
 }
 
+.jp-DirListing-checkboxWrapper {
+  /* Increases hit area of checkbox. */
+  padding: 4px;
+}
+
+.jp-DirListing-header
+  .jp-DirListing-checkboxWrapper
+  + .jp-DirListing-headerItem {
+  padding-left: 4px;
+}
+
+.jp-DirListing-content .jp-DirListing-checkboxWrapper {
+  position: relative;
+  left: -4px;
+  margin: -4px 0 -4px -8px;
+}
+
+.jp-DirListing-checkboxWrapper.jp-mod-visible {
+  visibility: visible;
+}
+
+/* For devices that support hovering, hide checkboxes until hovered, selected...
+*/
+@media (hover: hover) {
+  .jp-DirListing-checkboxWrapper {
+    visibility: hidden;
+  }
+
+  .jp-DirListing-item:hover .jp-DirListing-checkboxWrapper,
+  .jp-DirListing-item.jp-mod-selected .jp-DirListing-checkboxWrapper {
+    visibility: visible;
+  }
+}
+
 .jp-DirListing-item[data-is-dot] {
   opacity: 75%;
 }
 
 .jp-DirListing-item.jp-mod-selected {
-  color: white;
+  color: var(--jp-ui-inverse-font-color1);
   background: var(--jp-brand-color1);
 }
 
@@ -12701,25 +5237,48 @@
   user-select: none;
 }
 
+.jp-DirListing-itemText:focus {
+  outline-width: 2px;
+  outline-color: var(--jp-inverse-layout-color1);
+  outline-style: solid;
+  outline-offset: 1px;
+}
+
+.jp-DirListing-item.jp-mod-selected .jp-DirListing-itemText:focus {
+  outline-color: var(--jp-layout-color1);
+}
+
 .jp-DirListing-itemModified {
   flex: 0 0 125px;
   text-align: right;
 }
 
+.jp-DirListing-itemFileSize {
+  flex: 0 0 90px;
+  text-align: right;
+}
+
 .jp-DirListing-editor {
   flex: 1 0 64px;
   outline: none;
   border: none;
+  color: var(--jp-ui-font-color1);
+  background-color: var(--jp-layout-color1);
 }
 
-.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon:before {
-  color: limegreen;
+.jp-DirListing-item.jp-mod-running .jp-DirListing-itemIcon::before {
+  color: var(--jp-success-color1);
   content: '\25CF';
   font-size: 8px;
   position: absolute;
   left: -8px;
 }
 
+.jp-DirListing-item.jp-mod-running.jp-mod-selected
+  .jp-DirListing-itemIcon::before {
+  color: var(--jp-ui-inverse-font-color1);
+}
+
 .jp-DirListing-item.lm-mod-drag-image,
 .jp-DirListing-item.jp-mod-selected.lm-mod-drag-image {
   font-size: var(--jp-ui-font-size1);
@@ -12728,20 +5287,11 @@
   width: 160px;
   background-color: var(--jp-ui-inverse-font-color2);
   box-shadow: var(--jp-elevation-z2);
-  border-radius: 0px;
+  border-radius: 0;
   color: var(--jp-ui-font-color1);
   transform: translateX(-40%) translateY(-58%);
 }
 
-.jp-DirListing-deadSpace {
-  flex: 1 1 auto;
-  margin: 0;
-  padding: 0;
-  list-style-type: none;
-  overflow: auto;
-  background-color: var(--jp-layout-color1);
-}
-
 .jp-Document {
   min-width: 120px;
   min-height: 120px;
@@ -12753,13 +5303,6 @@
 | Distributed under the terms of the Modified BSD License.
 |----------------------------------------------------------------------------*/
 
-/*-----------------------------------------------------------------------------
-| Private CSS variables
-|----------------------------------------------------------------------------*/
-
-:root {
-}
-
 /*-----------------------------------------------------------------------------
 | Main OutputArea
 | OutputArea has a list of Outputs
@@ -12770,12 +5313,14 @@
 }
 
 .jp-OutputArea-child {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
+  overflow: hidden;
 }
 
 .jp-OutputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-outprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -12784,11 +5329,13 @@
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
   opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -12796,7 +5343,14 @@
   user-select: none;
 }
 
+.jp-OutputArea-prompt {
+  display: table-cell;
+  vertical-align: top;
+}
+
 .jp-OutputArea-output {
+  display: table-cell;
+  width: 100%;
   height: auto;
   overflow: auto;
   user-select: text;
@@ -12805,9 +5359,30 @@
   -ms-user-select: text;
 }
 
-.jp-OutputArea-child .jp-OutputArea-output {
-  flex-grow: 1;
-  flex-shrink: 1;
+.jp-OutputArea .jp-RenderedText {
+  padding-left: 1ch;
+}
+
+/**
+ * Prompt overlay.
+ */
+
+.jp-OutputArea-promptOverlay {
+  position: absolute;
+  top: 0;
+  width: var(--jp-cell-prompt-width);
+  height: 100%;
+  opacity: 0.5;
+}
+
+.jp-OutputArea-promptOverlay:hover {
+  background: var(--jp-layout-color2);
+  box-shadow: inset 0 0 1px var(--jp-inverse-layout-color0);
+  cursor: zoom-out;
+}
+
+.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay:hover {
+  cursor: zoom-in;
 }
 
 /**
@@ -12819,7 +5394,7 @@
 }
 
 /*
-When drag events occur, `p-mod-override-cursor` is added to the body.
+When drag events occur, `lm-mod-override-cursor` is added to the body.
 Because iframes steal all cursor events, the following two rules are necessary
 to suppress pointer events while resize drags are occurring. There may be a
 better solution to this problem.
@@ -12828,7 +5403,7 @@
   position: relative;
 }
 
-body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated:before {
+body.lm-mod-override-cursor .jp-OutputArea-output.jp-mod-isolated::before {
   content: '';
   position: absolute;
   top: 0;
@@ -12842,8 +5417,8 @@
 
 .jp-OutputArea-output pre {
   border: none;
-  margin: 0px;
-  padding: 0px;
+  margin: 0;
+  padding: 0;
   overflow-x: auto;
   overflow-y: auto;
   word-break: break-all;
@@ -12888,6 +5463,13 @@
   margin: 0;
 }
 
+.jp-TrimmedOutputs pre {
+  background: var(--jp-layout-color3);
+  font-size: calc(var(--jp-code-font-size) * 1.4);
+  text-align: center;
+  text-transform: uppercase;
+}
+
 /* Hide the gutter in case of
  *  - nested output areas (e.g. in the case of output widgets)
  *  - mirrored output areas
@@ -12896,14 +5478,20 @@
   display: none;
 }
 
+/* Hide empty lines in the output area, for instance due to cleared widgets */
+.jp-OutputArea-prompt:empty {
+  padding: 0;
+  border: 0;
+}
+
 /*-----------------------------------------------------------------------------
 | executeResult is added to any Output-result for the display of the object
 | returned by a cell
 |----------------------------------------------------------------------------*/
 
 .jp-OutputArea-output.jp-OutputArea-executeResult {
-  margin-left: 0px;
-  flex: 1 1 auto;
+  margin-left: 0;
+  width: 100%;
 }
 
 /* Text output with the Out[] prompt needs a top padding to match the
@@ -12918,12 +5506,6 @@
 | The Stdin output
 |----------------------------------------------------------------------------*/
 
-.jp-OutputArea-stdin {
-  line-height: var(--jp-code-line-height);
-  padding-top: var(--jp-code-padding);
-  display: flex;
-}
-
 .jp-Stdin-prompt {
   color: var(--jp-content-font-color0);
   padding-right: var(--jp-code-padding);
@@ -12938,18 +5520,28 @@
   background-color: inherit;
   width: 42%;
   min-width: 200px;
+
   /* make sure input baseline aligns with prompt */
   vertical-align: baseline;
+
   /* padding + margin = 0.5em between prompt and cursor */
-  padding: 0em 0.25em;
-  margin: 0em 0.25em;
+  padding: 0 0.25em;
+  margin: 0 0.25em;
   flex: 0 0 70%;
 }
 
+.jp-Stdin-input::placeholder {
+  opacity: 0;
+}
+
 .jp-Stdin-input:focus {
   box-shadow: none;
 }
 
+.jp-Stdin-input:focus::placeholder {
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Output Area View
 |----------------------------------------------------------------------------*/
@@ -12963,6 +5555,160 @@
   height: 100%;
 }
 
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+@media print {
+  .jp-OutputArea-child {
+    break-inside: avoid-page;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-OutputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+
+  .jp-OutputArea-child .jp-OutputArea-output {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+}
+
+/* Trimmed outputs warning */
+.jp-TrimmedOutputs > a {
+  margin: 10px;
+  text-decoration: none;
+  cursor: pointer;
+}
+
+.jp-TrimmedOutputs > a:hover {
+  text-decoration: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Table of Contents
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-private-toc-active-width: 4px;
+}
+
+.jp-TableOfContents {
+  display: flex;
+  flex-direction: column;
+  background: var(--jp-layout-color1);
+  color: var(--jp-ui-font-color1);
+  font-size: var(--jp-ui-font-size1);
+  height: 100%;
+}
+
+.jp-TableOfContents-placeholder {
+  text-align: center;
+}
+
+.jp-TableOfContents-placeholderContent {
+  color: var(--jp-content-font-color2);
+  padding: 8px;
+}
+
+.jp-TableOfContents-placeholderContent > h3 {
+  margin-bottom: var(--jp-content-heading-margin-bottom);
+}
+
+.jp-TableOfContents .jp-SidePanel-content {
+  overflow-y: auto;
+}
+
+.jp-TableOfContents-tree {
+  margin: 4px;
+}
+
+.jp-TableOfContents ol {
+  list-style-type: none;
+}
+
+/* stylelint-disable-next-line selector-max-type */
+.jp-TableOfContents li > ol {
+  /* Align left border with triangle icon center */
+  padding-left: 11px;
+}
+
+.jp-TableOfContents-content {
+  /* left margin for the active heading indicator */
+  margin: 0 0 0 var(--jp-private-toc-active-width);
+  padding: 0;
+  background-color: var(--jp-layout-color1);
+}
+
+.jp-tocItem {
+  -webkit-user-select: none;
+  -moz-user-select: none;
+  -ms-user-select: none;
+  user-select: none;
+}
+
+.jp-tocItem-heading {
+  display: flex;
+  cursor: pointer;
+}
+
+.jp-tocItem-heading:hover {
+  background-color: var(--jp-layout-color2);
+}
+
+.jp-tocItem-content {
+  display: block;
+  padding: 4px 0;
+  white-space: nowrap;
+  text-overflow: ellipsis;
+  overflow-x: hidden;
+}
+
+.jp-tocItem-collapser {
+  height: 20px;
+  margin: 2px 2px 0;
+  padding: 0;
+  background: none;
+  border: none;
+  cursor: pointer;
+}
+
+.jp-tocItem-collapser:hover {
+  background-color: var(--jp-layout-color3);
+}
+
+/* Active heading indicator */
+
+.jp-tocItem-heading::before {
+  content: ' ';
+  background: transparent;
+  width: var(--jp-private-toc-active-width);
+  height: 24px;
+  position: absolute;
+  left: 0;
+  border-radius: var(--jp-border-radius);
+}
+
+.jp-tocItem-heading.jp-tocItem-active::before {
+  background-color: var(--jp-brand-color1);
+}
+
+.jp-tocItem-heading:hover.jp-tocItem-active::before {
+  background: var(--jp-brand-color0);
+  opacity: 1;
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -12970,8 +5716,8 @@
 
 .jp-Collapser {
   flex: 0 0 var(--jp-cell-collapser-width);
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -12983,10 +5729,27 @@
   display: block;
   width: 100%;
   box-sizing: border-box;
+
   /* height: 100% doesn't work because the height of its parent is computed from content */
   position: absolute;
-  top: 0px;
-  bottom: 0px;
+  top: 0;
+  bottom: 0;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Hiding collapsers in print mode.
+
+Note: input and output wrappers have "display: block" propery in print mode.
+*/
+
+@media print {
+  .jp-Collapser {
+    display: none;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13001,10 +5764,10 @@
 /* Hidden by zero height by default */
 .jp-CellHeader,
 .jp-CellFooter {
-  height: 0px;
+  height: 0;
   width: 100%;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13021,25 +5784,27 @@
 
 /* All input areas */
 .jp-InputArea {
-  display: flex;
-  flex-direction: row;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
   overflow: hidden;
 }
 
 .jp-InputArea-editor {
-  flex: 1 1 auto;
+  display: table-cell;
   overflow: hidden;
-}
+  vertical-align: top;
 
-.jp-InputArea-editor {
   /* This is the non-active, default styling */
   border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
-  border-radius: 0px;
+  border-radius: 0;
   background: var(--jp-cell-editor-background);
 }
 
 .jp-InputPrompt {
-  flex: 0 0 var(--jp-cell-prompt-width);
+  display: table-cell;
+  vertical-align: top;
+  width: var(--jp-cell-prompt-width);
   color: var(--jp-cell-inprompt-font-color);
   font-family: var(--jp-cell-prompt-font-family);
   padding: var(--jp-code-padding);
@@ -13048,12 +5813,13 @@
   line-height: var(--jp-code-line-height);
   font-size: var(--jp-code-font-size);
   border: var(--jp-border-width) solid transparent;
-  opacity: var(--jp-cell-prompt-opacity);
+
   /* Right align prompt text, don't wrap to handle large prompt numbers */
   text-align: right;
   white-space: nowrap;
   overflow: hidden;
   text-overflow: ellipsis;
+
   /* Disable text selection */
   -webkit-user-select: none;
   -moz-user-select: none;
@@ -13061,6 +5827,21 @@
   user-select: none;
 }
 
+/*-----------------------------------------------------------------------------
+| Mobile
+|----------------------------------------------------------------------------*/
+@media only screen and (max-width: 760px) {
+  .jp-InputArea-editor {
+    display: table-row;
+    margin-left: var(--jp-notebook-padding);
+  }
+
+  .jp-InputPrompt {
+    display: table-row;
+    text-align: left;
+  }
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13071,21 +5852,33 @@
 |----------------------------------------------------------------------------*/
 
 .jp-Placeholder {
-  display: flex;
-  flex-direction: row;
-  flex: 1 1 auto;
+  display: table;
+  table-layout: fixed;
+  width: 100%;
 }
 
 .jp-Placeholder-prompt {
+  display: table-cell;
   box-sizing: border-box;
 }
 
 .jp-Placeholder-content {
-  flex: 1 1 auto;
-  border: none;
-  background: transparent;
-  height: 20px;
+  display: table-cell;
+  padding: 4px 6px;
+  border: 1px solid transparent;
+  border-radius: 0;
+  background: none;
   box-sizing: border-box;
+  cursor: pointer;
+}
+
+.jp-Placeholder-contentContainer {
+  display: flex;
+}
+
+.jp-Placeholder-content:hover,
+.jp-InputPlaceholder > .jp-Placeholder-content:hover {
+  border-color: var(--jp-layout-color3);
 }
 
 .jp-Placeholder-content .jp-MoreHorizIcon {
@@ -13097,10 +5890,22 @@
 
 .jp-Placeholder-content .jp-MoreHorizIcon:hover {
   border: 1px solid var(--jp-border-color1);
-  box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.25);
+  box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.25);
   background-color: var(--jp-layout-color0);
 }
 
+.jp-PlaceholderText {
+  white-space: nowrap;
+  overflow-x: hidden;
+  color: var(--jp-inverse-layout-color3);
+  font-family: var(--jp-code-font-family);
+}
+
+.jp-InputPlaceholder > .jp-Placeholder-content {
+  border-color: var(--jp-cell-editor-border-color);
+  background: var(--jp-cell-editor-background);
+}
+
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13120,7 +5925,7 @@
 
 .jp-Cell {
   padding: var(--jp-cell-padding);
-  margin: 0px;
+  margin: 0;
   border: none;
   outline: none;
   background: transparent;
@@ -13134,8 +5939,9 @@
 .jp-Cell-outputWrapper {
   display: flex;
   flex-direction: row;
-  padding: 0px;
-  margin: 0px;
+  padding: 0;
+  margin: 0;
+
   /* Added to reveal the box-shadow on the input and output collapsers. */
   overflow: visible;
 }
@@ -13173,17 +5979,41 @@
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea {
   overflow-y: auto;
-  max-height: 200px;
-  box-shadow: inset 0 0 6px 2px rgba(0, 0, 0, 0.3);
+  max-height: 24em;
   margin-left: var(--jp-private-cell-scrolling-output-offset);
+  resize: vertical;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea[style*='height'] {
+  max-height: unset;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-Cell-outputArea::after {
+  content: ' ';
+  box-shadow: inset 0 0 6px 2px rgb(0 0 0 / 30%);
+  width: 100%;
+  height: 100%;
+  position: sticky;
+  bottom: 0;
+  top: 0;
+  margin-top: -50%;
+  float: left;
+  display: block;
+  pointer-events: none;
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-child {
+  padding-top: 6px;
 }
 
 .jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-prompt {
-  flex: 0 0
-    calc(
-      var(--jp-cell-prompt-width) -
-        var(--jp-private-cell-scrolling-output-offset)
-    );
+  width: calc(
+    var(--jp-cell-prompt-width) - var(--jp-private-cell-scrolling-output-offset)
+  );
+}
+
+.jp-CodeCell.jp-mod-outputsScrolled .jp-OutputArea-promptOverlay {
+  left: calc(-1 * var(--jp-private-cell-scrolling-output-offset));
 }
 
 /*-----------------------------------------------------------------------------
@@ -13195,7 +6025,8 @@
 |----------------------------------------------------------------------------*/
 
 .jp-MarkdownOutput {
-  flex: 1 1 auto;
+  display: table-cell;
+  width: 100%;
   margin-top: 0;
   margin-bottom: 0;
   padding-left: var(--jp-code-padding);
@@ -13205,45 +6036,326 @@
   overflow: auto;
 }
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+/* collapseHeadingButton (show always if hiddenCellsButton is _not_ shown) */
+.jp-collapseHeadingButton {
+  display: flex;
+  min-height: var(--jp-cell-collapser-min-height);
+  font-size: var(--jp-code-font-size);
+  position: absolute;
+  background-color: transparent;
+  background-size: 25px;
+  background-repeat: no-repeat;
+  background-position-x: center;
+  background-position-y: top;
+  background-image: var(--jp-icon-caret-down);
+  right: 0;
+  top: 0;
+  bottom: 0;
+}
+
+.jp-collapseHeadingButton.jp-mod-collapsed {
+  background-image: var(--jp-icon-caret-right);
+}
+
+/*
+ set the container font size to match that of content
+ so that the nested collapse buttons have the right size
+*/
+.jp-MarkdownCell .jp-InputPrompt {
+  font-size: var(--jp-content-font-size1);
+}
+
+/*
+  Align collapseHeadingButton with cell top header
+  The font sizes are identical to the ones in packages/rendermime/style/base.css
+*/
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='1'] {
+  font-size: var(--jp-content-font-size5);
+  background-position-y: calc(0.3 * var(--jp-content-font-size5));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='2'] {
+  font-size: var(--jp-content-font-size4);
+  background-position-y: calc(0.3 * var(--jp-content-font-size4));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='3'] {
+  font-size: var(--jp-content-font-size3);
+  background-position-y: calc(0.3 * var(--jp-content-font-size3));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='4'] {
+  font-size: var(--jp-content-font-size2);
+  background-position-y: calc(0.3 * var(--jp-content-font-size2));
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='5'] {
+  font-size: var(--jp-content-font-size1);
+  background-position-y: top;
+}
+
+.jp-mod-rendered .jp-collapseHeadingButton[data-heading-level='6'] {
+  font-size: var(--jp-content-font-size0);
+  background-position-y: top;
+}
+
+/* collapseHeadingButton (show only on (hover,active) if hiddenCellsButton is shown) */
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-collapseHeadingButton {
+  display: none;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton
+  :is(.jp-MarkdownCell:hover, .jp-mod-active)
+  .jp-collapseHeadingButton {
+  display: flex;
+}
+
+/* showHiddenCellsButton (only show if jp-mod-showHiddenCellsButton is set, which
+is a consequence of the showHiddenCellsButton option in Notebook Settings)*/
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton {
+  margin-left: calc(var(--jp-cell-prompt-width) + 2 * var(--jp-code-padding));
+  margin-top: var(--jp-code-padding);
+  border: 1px solid var(--jp-border-color2);
+  background-color: var(--jp-border-color3) !important;
+  color: var(--jp-content-font-color0) !important;
+  display: flex;
+}
+
+.jp-Notebook.jp-mod-showHiddenCellsButton .jp-showHiddenCellsButton:hover {
+  background-color: var(--jp-border-color2) !important;
+}
+
+.jp-showHiddenCellsButton {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Printing
+|----------------------------------------------------------------------------*/
+
+/*
+Using block instead of flex to allow the use of the break-inside CSS property for
+cell outputs.
+*/
+
+@media print {
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
+  }
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+:root {
+  --jp-notebook-toolbar-padding: 2px 5px 2px 2px;
+}
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-NotebookPanel-toolbar {
+  padding: var(--jp-notebook-toolbar-padding);
+
+  /* disable paint containment from lumino 2.0 default strict CSS containment */
+  contain: style size !important;
+}
+
+.jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
+  border: none;
+  box-shadow: none;
+}
+
+.jp-Notebook-toolbarCellTypeDropdown select {
+  height: 24px;
+  font-size: var(--jp-ui-font-size1);
+  line-height: 14px;
+  border-radius: 0;
+  display: block;
+}
+
+.jp-Notebook-toolbarCellTypeDropdown span {
+  top: 5px !important;
+}
+
+.jp-Toolbar-responsive-popup {
+  position: absolute;
+  height: fit-content;
+  display: flex;
+  flex-direction: row;
+  flex-wrap: wrap;
+  justify-content: flex-end;
+  border-bottom: var(--jp-border-width) solid var(--jp-toolbar-border-color);
+  box-shadow: var(--jp-toolbar-box-shadow);
+  background: var(--jp-toolbar-background);
+  min-height: var(--jp-toolbar-micro-height);
+  padding: var(--jp-notebook-toolbar-padding);
+  z-index: 1;
+  right: 0;
+  top: 0;
+}
+
+.jp-Toolbar > .jp-Toolbar-responsive-opener {
+  margin-left: auto;
+}
+
+/*-----------------------------------------------------------------------------
+| Copyright (c) Jupyter Development Team.
+| Distributed under the terms of the Modified BSD License.
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| Variables
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+
+/*-----------------------------------------------------------------------------
+| Styles
+|----------------------------------------------------------------------------*/
+
+.jp-Notebook-ExecutionIndicator {
+  position: relative;
+  display: inline-block;
+  height: 100%;
+  z-index: 9997;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: hidden;
+  height: auto;
+  width: max-content;
+  width: -moz-max-content;
+  background-color: var(--jp-layout-color2);
+  color: var(--jp-ui-font-color1);
+  text-align: justify;
+  border-radius: 6px;
+  padding: 0 5px;
+  position: fixed;
+  display: table;
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.up {
+  transform: translateX(-50%) translateY(-100%) translateY(-32px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.down {
+  transform: translateX(calc(-100% + 16px)) translateY(5px);
+}
+
+.jp-Notebook-ExecutionIndicator-tooltip.hidden {
+  display: none;
+}
+
+.jp-Notebook-ExecutionIndicator:hover .jp-Notebook-ExecutionIndicator-tooltip {
+  visibility: visible;
+}
+
+.jp-Notebook-ExecutionIndicator span {
+  font-size: var(--jp-ui-font-size1);
+  font-family: var(--jp-ui-font-family);
+  color: var(--jp-ui-font-color1);
+  line-height: 24px;
+  display: block;
+}
+
+.jp-Notebook-ExecutionIndicator-progress-bar {
+  display: flex;
+  justify-content: center;
+  height: 100%;
+}
+
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
 
-/*-----------------------------------------------------------------------------
-| Copyright (c) Jupyter Development Team.
-| Distributed under the terms of the Modified BSD License.
-|----------------------------------------------------------------------------*/
+/*
+ * Execution indicator
+ */
+.jp-tocItem-content::after {
+  content: '';
 
-/*-----------------------------------------------------------------------------
-| Variables
-|----------------------------------------------------------------------------*/
+  /* Must be identical to form a circle */
+  width: 12px;
+  height: 12px;
+  background: none;
+  border: none;
+  position: absolute;
+  right: 0;
+}
 
-/*-----------------------------------------------------------------------------
+.jp-tocItem-content[data-running='0']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background: none;
+}
 
-/*-----------------------------------------------------------------------------
-| Styles
-|----------------------------------------------------------------------------*/
+.jp-tocItem-content[data-running='1']::after {
+  border-radius: 50%;
+  border: var(--jp-border-width) solid var(--jp-inverse-layout-color3);
+  background-color: var(--jp-inverse-layout-color3);
+}
 
-.jp-NotebookPanel-toolbar {
-  padding: 2px;
+.jp-tocItem-content[data-running='0'],
+.jp-tocItem-content[data-running='1'] {
+  margin-right: 12px;
 }
 
-.jp-Toolbar-item.jp-Notebook-toolbarCellType .jp-select-wrapper.jp-mod-focused {
-  border: none;
-  box-shadow: none;
+/*
+ * Copyright (c) Jupyter Development Team.
+ * Distributed under the terms of the Modified BSD License.
+ */
+
+.jp-Notebook-footer {
+  height: 27px;
+  margin-left: calc(
+    var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+      var(--jp-cell-padding)
+  );
+  width: calc(
+    100% -
+      (
+        var(--jp-cell-prompt-width) + var(--jp-cell-collapser-width) +
+          var(--jp-cell-padding) + var(--jp-cell-padding)
+      )
+  );
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  color: var(--jp-ui-font-color3);
+  margin-top: 6px;
+  background: none;
+  cursor: pointer;
 }
 
-.jp-Notebook-toolbarCellTypeDropdown select {
-  height: 24px;
-  font-size: var(--jp-ui-font-size1);
-  line-height: 14px;
-  border-radius: 0;
-  display: block;
+.jp-Notebook-footer:focus {
+  border-color: var(--jp-cell-editor-active-border-color);
 }
 
-.jp-Notebook-toolbarCellTypeDropdown span {
-  top: 5px !important;
+/* For devices that support hovering, hide footer until hover */
+@media (hover: hover) {
+  .jp-Notebook-footer {
+    opacity: 0;
+  }
+
+  .jp-Notebook-footer:focus,
+  .jp-Notebook-footer:hover {
+    opacity: 1;
+  }
 }
 
 /*-----------------------------------------------------------------------------
@@ -13252,24 +6364,28 @@
 |----------------------------------------------------------------------------*/
 
 /*-----------------------------------------------------------------------------
-| Private CSS variables
+| Imports
+|----------------------------------------------------------------------------*/
+
+/*-----------------------------------------------------------------------------
+| CSS variables
 |----------------------------------------------------------------------------*/
 
 :root {
+  --jp-side-by-side-output-size: 1fr;
+  --jp-side-by-side-resized-cell: var(--jp-side-by-side-output-size);
   --jp-private-notebook-dragImage-width: 304px;
   --jp-private-notebook-dragImage-height: 36px;
   --jp-private-notebook-selected-color: var(--md-blue-400);
   --jp-private-notebook-active-color: var(--md-green-400);
 }
 
-/*-----------------------------------------------------------------------------
-| Imports
-|----------------------------------------------------------------------------*/
-
 /*-----------------------------------------------------------------------------
 | Notebook
 |----------------------------------------------------------------------------*/
 
+/* stylelint-disable selector-max-class */
+
 .jp-NotebookPanel {
   display: block;
   height: 100%;
@@ -13293,6 +6409,10 @@
   min-height: var(--jp-notebook-scroll-padding);
 }
 
+.jp-MainAreaWidget-ContainStrict .jp-Notebook * {
+  contain: strict;
+}
+
 .jp-Notebook .jp-Cell {
   overflow: visible;
 }
@@ -13334,6 +6454,20 @@
   background: var(--jp-brand-color1);
 }
 
+/* cell is dirty */
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt {
+  color: var(--jp-warn-color1);
+}
+
+.jp-Notebook .jp-Cell.jp-mod-dirty .jp-InputPrompt::before {
+  color: var(--jp-warn-color1);
+  content: '•';
+}
+
+.jp-Notebook .jp-Cell.jp-mod-active.jp-mod-dirty .jp-Collapser {
+  background: var(--jp-warn-color1);
+}
+
 /* collapser is hovered */
 .jp-Notebook .jp-Cell .jp-Collapser:hover {
   box-shadow: var(--jp-elevation-z2);
@@ -13383,7 +6517,7 @@
 }
 
 .jp-dragImage {
-  display: flex;
+  display: block;
   flex-direction: row;
   width: var(--jp-private-notebook-dragImage-width);
   height: var(--jp-private-notebook-dragImage-height);
@@ -13393,7 +6527,7 @@
 }
 
 .jp-dragImage-singlePrompt {
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 .jp-dragImage .jp-dragImage-content {
@@ -13407,7 +6541,7 @@
   background: var(--jp-cell-editor-background-color);
   color: var(--jp-content-font-color3);
   text-align: left;
-  margin: 4px 4px 4px 0px;
+  margin: 4px 4px 4px 0;
 }
 
 .jp-dragImage .jp-dragImage-prompt {
@@ -13432,7 +6566,7 @@
   left: 8px;
   background: var(--jp-layout-color2);
   border: var(--jp-border-width) solid var(--jp-input-border-color);
-  box-shadow: 2px 2px 4px 0px rgba(0, 0, 0, 0.12);
+  box-shadow: 2px 2px 4px 0 rgba(0, 0, 0, 0.12);
 }
 
 /*-----------------------------------------------------------------------------
@@ -13444,40 +6578,42 @@
   min-width: var(--jp-sidebar-min-width);
   color: var(--jp-ui-font-color1);
   background: var(--jp-layout-color1);
+
   /* This is needed so that all font sizing of children done in ems is
     * relative to this base size */
   font-size: var(--jp-ui-font-size1);
   overflow: auto;
 }
 
-.jp-NotebookTools-tool {
-  padding: 0px 12px 0 12px;
-}
-
 .jp-ActiveCellTool {
-  padding: 12px;
-  background-color: var(--jp-layout-color1);
-  border-top: none !important;
+  padding: 12px 0;
+  display: flex;
 }
 
-.jp-ActiveCellTool .jp-InputArea-prompt {
-  flex: 0 0 auto;
-  padding-left: 0px;
+.jp-ActiveCellTool-Content {
+  flex: 1 1 auto;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor {
-  flex: 1 1 auto;
+.jp-ActiveCellTool .jp-ActiveCellTool-CellContent {
   background: var(--jp-cell-editor-background);
-  border-color: var(--jp-cell-editor-border-color);
+  border: var(--jp-border-width) solid var(--jp-cell-editor-border-color);
+  border-radius: 0;
+  min-height: 29px;
 }
 
-.jp-ActiveCellTool .jp-InputArea-editor .CodeMirror {
-  background: transparent;
+.jp-ActiveCellTool .jp-InputPrompt {
+  min-width: calc(var(--jp-cell-prompt-width) * 0.75);
+}
+
+.jp-ActiveCellTool-CellContent > pre {
+  padding: 5px 4px;
+  margin: 0;
+  white-space: normal;
 }
 
 .jp-MetadataEditorTool {
   flex-direction: column;
-  padding: 12px 0px 12px 0px;
+  padding: 12px 0;
 }
 
 .jp-RankedPanel > :not(:first-child) {
@@ -13491,13 +6627,19 @@
 }
 
 .jp-KeySelector label,
-.jp-MetadataEditorTool label {
+.jp-MetadataEditorTool label,
+.jp-NumberSetter label {
   line-height: 1.4;
 }
 
 .jp-NotebookTools .jp-select-wrapper {
   margin-top: 4px;
-  margin-bottom: 0px;
+  margin-bottom: 0;
+}
+
+.jp-NumberSetter input {
+  width: 100%;
+  margin-top: 4px;
 }
 
 .jp-NotebookTools .jp-Collapse {
@@ -13518,9 +6660,162 @@
   flex: 0 0 110px;
 }
 
-</style>
+/*-----------------------------------------------------------------------------
+| Side-by-side Mode (.jp-mod-sideBySide)
+|----------------------------------------------------------------------------*/
+.jp-mod-sideBySide.jp-Notebook .jp-Notebook-cell {
+  margin-top: 3em;
+  margin-bottom: 3em;
+  margin-left: 5%;
+  margin-right: 5%;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell {
+  display: grid;
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-output-size)
+    );
+  grid-template-rows: auto minmax(0, 1fr) auto;
+  grid-template-areas:
+    'header header header'
+    'input handle output'
+    'footer footer footer';
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell.jp-mod-resizedCell {
+  grid-template-columns: minmax(0, 1fr) min-content minmax(
+      0,
+      var(--jp-side-by-side-resized-cell)
+    );
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellHeader {
+  grid-area: header;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-inputWrapper {
+  grid-area: input;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-Cell-outputWrapper {
+  /* overwrite the default margin (no vertical separation needed in side by side move */
+  margin-top: 0;
+  grid-area: output;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellFooter {
+  grid-area: footer;
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle {
+  grid-area: handle;
+  user-select: none;
+  display: block;
+  height: 100%;
+  cursor: ew-resize;
+  padding: 0 var(--jp-cell-padding);
+}
+
+.jp-mod-sideBySide.jp-Notebook .jp-CodeCell .jp-CellResizeHandle::after {
+  content: '';
+  display: block;
+  background: var(--jp-border-color2);
+  height: 100%;
+  width: 5px;
+}
+
+.jp-mod-sideBySide.jp-Notebook
+  .jp-CodeCell.jp-mod-resizedCell
+  .jp-CellResizeHandle::after {
+  background: var(--jp-border-color0);
+}
+
+.jp-CellResizeHandle {
+  display: none;
+}
+
+/*-----------------------------------------------------------------------------
+| Placeholder
+|----------------------------------------------------------------------------*/
+
+.jp-Cell-Placeholder {
+  padding-left: 55px;
+}
+
+.jp-Cell-Placeholder-wrapper {
+  background: #fff;
+  border: 1px solid;
+  border-color: #e5e6e9 #dfe0e4 #d0d1d5;
+  border-radius: 4px;
+  -webkit-border-radius: 4px;
+  margin: 10px 15px;
+}
+
+.jp-Cell-Placeholder-wrapper-inner {
+  padding: 15px;
+  position: relative;
+}
+
+.jp-Cell-Placeholder-wrapper-body {
+  background-repeat: repeat;
+  background-size: 50% auto;
+}
+
+.jp-Cell-Placeholder-wrapper-body div {
+  background: #f6f7f8;
+  background-image: -webkit-linear-gradient(
+    left,
+    #f6f7f8 0%,
+    #edeef1 20%,
+    #f6f7f8 40%,
+    #f6f7f8 100%
+  );
+  background-repeat: no-repeat;
+  background-size: 800px 104px;
+  height: 104px;
+  position: absolute;
+  right: 15px;
+  left: 15px;
+  top: 15px;
+}
+
+div.jp-Cell-Placeholder-h1 {
+  top: 20px;
+  height: 20px;
+  left: 15px;
+  width: 150px;
+}
+
+div.jp-Cell-Placeholder-h2 {
+  left: 15px;
+  top: 50px;
+  height: 10px;
+  width: 100px;
+}
+
+div.jp-Cell-Placeholder-content-1,
+div.jp-Cell-Placeholder-content-2,
+div.jp-Cell-Placeholder-content-3 {
+  left: 15px;
+  right: 15px;
+  height: 10px;
+}
+
+div.jp-Cell-Placeholder-content-1 {
+  top: 100px;
+}
+
+div.jp-Cell-Placeholder-content-2 {
+  top: 120px;
+}
+
+div.jp-Cell-Placeholder-content-3 {
+  top: 140px;
+}
 
-    <style type="text/css">
+</style>
+<style type="text/css">
 /*-----------------------------------------------------------------------------
 | Copyright (c) Jupyter Development Team.
 | Distributed under the terms of the Modified BSD License.
@@ -13576,33 +6871,33 @@
     0.12
   );
   --jp-elevation-z0: none;
-  --jp-elevation-z1: 0px 2px 1px -1px var(--jp-shadow-umbra-color),
-    0px 1px 1px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 3px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z2: 0px 3px 1px -2px var(--jp-shadow-umbra-color),
-    0px 2px 2px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 5px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z4: 0px 2px 4px -1px var(--jp-shadow-umbra-color),
-    0px 4px 5px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 10px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z6: 0px 3px 5px -1px var(--jp-shadow-umbra-color),
-    0px 6px 10px 0px var(--jp-shadow-penumbra-color),
-    0px 1px 18px 0px var(--jp-shadow-ambient-color);
-  --jp-elevation-z8: 0px 5px 5px -3px var(--jp-shadow-umbra-color),
-    0px 8px 10px 1px var(--jp-shadow-penumbra-color),
-    0px 3px 14px 2px var(--jp-shadow-ambient-color);
-  --jp-elevation-z12: 0px 7px 8px -4px var(--jp-shadow-umbra-color),
-    0px 12px 17px 2px var(--jp-shadow-penumbra-color),
-    0px 5px 22px 4px var(--jp-shadow-ambient-color);
-  --jp-elevation-z16: 0px 8px 10px -5px var(--jp-shadow-umbra-color),
-    0px 16px 24px 2px var(--jp-shadow-penumbra-color),
-    0px 6px 30px 5px var(--jp-shadow-ambient-color);
-  --jp-elevation-z20: 0px 10px 13px -6px var(--jp-shadow-umbra-color),
-    0px 20px 31px 3px var(--jp-shadow-penumbra-color),
-    0px 8px 38px 7px var(--jp-shadow-ambient-color);
-  --jp-elevation-z24: 0px 11px 15px -7px var(--jp-shadow-umbra-color),
-    0px 24px 38px 3px var(--jp-shadow-penumbra-color),
-    0px 9px 46px 8px var(--jp-shadow-ambient-color);
+  --jp-elevation-z1: 0 2px 1px -1px var(--jp-shadow-umbra-color),
+    0 1px 1px 0 var(--jp-shadow-penumbra-color),
+    0 1px 3px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z2: 0 3px 1px -2px var(--jp-shadow-umbra-color),
+    0 2px 2px 0 var(--jp-shadow-penumbra-color),
+    0 1px 5px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z4: 0 2px 4px -1px var(--jp-shadow-umbra-color),
+    0 4px 5px 0 var(--jp-shadow-penumbra-color),
+    0 1px 10px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z6: 0 3px 5px -1px var(--jp-shadow-umbra-color),
+    0 6px 10px 0 var(--jp-shadow-penumbra-color),
+    0 1px 18px 0 var(--jp-shadow-ambient-color);
+  --jp-elevation-z8: 0 5px 5px -3px var(--jp-shadow-umbra-color),
+    0 8px 10px 1px var(--jp-shadow-penumbra-color),
+    0 3px 14px 2px var(--jp-shadow-ambient-color);
+  --jp-elevation-z12: 0 7px 8px -4px var(--jp-shadow-umbra-color),
+    0 12px 17px 2px var(--jp-shadow-penumbra-color),
+    0 5px 22px 4px var(--jp-shadow-ambient-color);
+  --jp-elevation-z16: 0 8px 10px -5px var(--jp-shadow-umbra-color),
+    0 16px 24px 2px var(--jp-shadow-penumbra-color),
+    0 6px 30px 5px var(--jp-shadow-ambient-color);
+  --jp-elevation-z20: 0 10px 13px -6px var(--jp-shadow-umbra-color),
+    0 20px 31px 3px var(--jp-shadow-penumbra-color),
+    0 8px 38px 7px var(--jp-shadow-ambient-color);
+  --jp-elevation-z24: 0 11px 15px -7px var(--jp-shadow-umbra-color),
+    0 24px 38px 3px var(--jp-shadow-penumbra-color),
+    0 9px 46px 8px var(--jp-shadow-ambient-color);
 
   /* Borders
    *
@@ -13614,6 +6909,7 @@
   --jp-border-color1: var(--md-grey-400);
   --jp-border-color2: var(--md-grey-300);
   --jp-border-color3: var(--md-grey-200);
+  --jp-inverse-border-color: var(--md-grey-600);
   --jp-border-radius: 2px;
 
   /* UI Fonts
@@ -13631,9 +6927,9 @@
   --jp-ui-font-size1: 13px; /* Base font size */
   --jp-ui-font-size2: 1.2em;
   --jp-ui-font-size3: 1.44em;
-
-  --jp-ui-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', Helvetica,
-    Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji', 'Segoe UI Symbol';
+  --jp-ui-font-family: system-ui, -apple-system, blinkmacsystemfont, 'Segoe UI',
+    helvetica, arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
+    'Segoe UI Symbol';
 
   /*
    * Use these font colors against the corresponding main layout colors.
@@ -13676,7 +6972,6 @@
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
   --jp-content-presentation-font-size1: 17px;
-
   --jp-content-heading-line-height: 1;
   --jp-content-heading-margin-top: 1.2em;
   --jp-content-heading-margin-bottom: 0.8em;
@@ -13687,12 +6982,10 @@
   --jp-content-font-color1: rgba(0, 0, 0, 0.87);
   --jp-content-font-color2: rgba(0, 0, 0, 0.54);
   --jp-content-font-color3: rgba(0, 0, 0, 0.38);
-
-  --jp-content-link-color: var(--md-blue-700);
-
-  --jp-content-font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI',
-    Helvetica, Arial, sans-serif, 'Apple Color Emoji', 'Segoe UI Emoji',
-    'Segoe UI Symbol';
+  --jp-content-link-color: var(--md-blue-900);
+  --jp-content-font-family: system-ui, -apple-system, blinkmacsystemfont,
+    'Segoe UI', helvetica, arial, sans-serif, 'Apple Color Emoji',
+    'Segoe UI Emoji', 'Segoe UI Symbol';
 
   /*
    * Code Fonts
@@ -13703,7 +6996,7 @@
   --jp-code-font-size: 13px;
   --jp-code-line-height: 1.3077; /* 17px for 13px base */
   --jp-code-padding: 5px; /* 5px for 13px base, codemirror highlighting needs integer px value */
-  --jp-code-font-family-default: Menlo, Consolas, 'DejaVu Sans Mono', monospace;
+  --jp-code-font-family-default: menlo, consolas, 'DejaVu Sans Mono', monospace;
   --jp-code-font-family: var(--jp-code-font-family-default);
 
   /* This gives a magnification of about 125% in presentation mode over normal. */
@@ -13732,7 +7025,7 @@
    * theme these would go from dark to light.
    */
 
-  --jp-inverse-layout-color0: #111111;
+  --jp-inverse-layout-color0: #111;
   --jp-inverse-layout-color1: var(--md-grey-900);
   --jp-inverse-layout-color2: var(--md-grey-800);
   --jp-inverse-layout-color3: var(--md-grey-700);
@@ -13740,62 +7033,57 @@
 
   /* Brand/accent */
 
-  --jp-brand-color0: var(--md-blue-700);
-  --jp-brand-color1: var(--md-blue-500);
+  --jp-brand-color0: var(--md-blue-900);
+  --jp-brand-color1: var(--md-blue-700);
   --jp-brand-color2: var(--md-blue-300);
   --jp-brand-color3: var(--md-blue-100);
   --jp-brand-color4: var(--md-blue-50);
-
-  --jp-accent-color0: var(--md-green-700);
-  --jp-accent-color1: var(--md-green-500);
+  --jp-accent-color0: var(--md-green-900);
+  --jp-accent-color1: var(--md-green-700);
   --jp-accent-color2: var(--md-green-300);
   --jp-accent-color3: var(--md-green-100);
 
   /* State colors (warn, error, success, info) */
 
-  --jp-warn-color0: var(--md-orange-700);
-  --jp-warn-color1: var(--md-orange-500);
+  --jp-warn-color0: var(--md-orange-900);
+  --jp-warn-color1: var(--md-orange-700);
   --jp-warn-color2: var(--md-orange-300);
   --jp-warn-color3: var(--md-orange-100);
-
-  --jp-error-color0: var(--md-red-700);
-  --jp-error-color1: var(--md-red-500);
+  --jp-error-color0: var(--md-red-900);
+  --jp-error-color1: var(--md-red-700);
   --jp-error-color2: var(--md-red-300);
   --jp-error-color3: var(--md-red-100);
-
-  --jp-success-color0: var(--md-green-700);
-  --jp-success-color1: var(--md-green-500);
+  --jp-success-color0: var(--md-green-900);
+  --jp-success-color1: var(--md-green-700);
   --jp-success-color2: var(--md-green-300);
   --jp-success-color3: var(--md-green-100);
-
-  --jp-info-color0: var(--md-cyan-700);
-  --jp-info-color1: var(--md-cyan-500);
+  --jp-info-color0: var(--md-cyan-900);
+  --jp-info-color1: var(--md-cyan-700);
   --jp-info-color2: var(--md-cyan-300);
   --jp-info-color3: var(--md-cyan-100);
 
   /* Cell specific styles */
 
   --jp-cell-padding: 5px;
-
   --jp-cell-collapser-width: 8px;
   --jp-cell-collapser-min-height: 20px;
   --jp-cell-collapser-not-active-hover-opacity: 0.6;
-
   --jp-cell-editor-background: var(--md-grey-100);
   --jp-cell-editor-border-color: var(--md-grey-300);
   --jp-cell-editor-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-cell-editor-active-background: var(--jp-layout-color0);
   --jp-cell-editor-active-border-color: var(--jp-brand-color1);
-
   --jp-cell-prompt-width: 64px;
   --jp-cell-prompt-font-family: var(--jp-code-font-family-default);
-  --jp-cell-prompt-letter-spacing: 0px;
+  --jp-cell-prompt-letter-spacing: 0;
   --jp-cell-prompt-opacity: 1;
   --jp-cell-prompt-not-active-opacity: 0.5;
   --jp-cell-prompt-not-active-font-color: var(--md-grey-700);
+
   /* A custom blend of MD grey and blue 600
    * See https://meyerweb.com/eric/tools/color-blend/#546E7A:1E88E5:5:hex */
   --jp-cell-inprompt-font-color: #307fc1;
+
   /* A custom blend of MD grey and orange 600
    * https://meyerweb.com/eric/tools/color-blend/#546E7A:F4511E:5:hex */
   --jp-cell-outprompt-font-color: #bf5b3d;
@@ -13836,17 +7124,21 @@
   --jp-toolbar-border-color: var(--jp-border-color1);
   --jp-toolbar-micro-height: 8px;
   --jp-toolbar-background: var(--jp-layout-color1);
-  --jp-toolbar-box-shadow: 0px 0px 2px 0px rgba(0, 0, 0, 0.24);
-  --jp-toolbar-header-margin: 4px 4px 0px 4px;
+  --jp-toolbar-box-shadow: 0 0 2px 0 rgba(0, 0, 0, 0.24);
+  --jp-toolbar-header-margin: 4px 4px 0 4px;
   --jp-toolbar-active-background: var(--md-grey-300);
 
+  /* Statusbar specific styles */
+
+  --jp-statusbar-height: 24px;
+
   /* Input field styles */
 
   --jp-input-box-shadow: inset 0 0 2px var(--md-blue-300);
   --jp-input-active-background: var(--jp-layout-color1);
   --jp-input-hover-background: var(--jp-layout-color1);
   --jp-input-background: var(--md-grey-100);
-  --jp-input-border-color: var(--jp-border-color1);
+  --jp-input-border-color: var(--jp-inverse-border-color);
   --jp-input-active-border-color: var(--jp-brand-color1);
   --jp-input-active-box-shadow-color: rgba(19, 124, 189, 0.3);
 
@@ -13863,15 +7155,15 @@
   --jp-mirror-editor-number-color: #080;
   --jp-mirror-editor-def-color: #00f;
   --jp-mirror-editor-variable-color: var(--md-grey-900);
-  --jp-mirror-editor-variable-2-color: #05a;
+  --jp-mirror-editor-variable-2-color: rgb(0, 54, 109);
   --jp-mirror-editor-variable-3-color: #085;
   --jp-mirror-editor-punctuation-color: #05a;
   --jp-mirror-editor-property-color: #05a;
-  --jp-mirror-editor-operator-color: #aa22ff;
+  --jp-mirror-editor-operator-color: #a2f;
   --jp-mirror-editor-comment-color: #408080;
   --jp-mirror-editor-string-color: #ba2121;
   --jp-mirror-editor-string-2-color: #708;
-  --jp-mirror-editor-meta-color: #aa22ff;
+  --jp-mirror-editor-meta-color: #a2f;
   --jp-mirror-editor-qualifier-color: #555;
   --jp-mirror-editor-builtin-color: #008000;
   --jp-mirror-editor-bracket-color: #997;
@@ -13883,6 +7175,20 @@
   --jp-mirror-editor-error-color: #f00;
   --jp-mirror-editor-hr-color: #999;
 
+  /*
+    RTC user specific colors.
+    These colors are used for the cursor, username in the editor,
+    and the icon of the user.
+  */
+
+  --jp-collaborator-color1: #ffad8e;
+  --jp-collaborator-color2: #dac83d;
+  --jp-collaborator-color3: #72dd76;
+  --jp-collaborator-color4: #00e4d0;
+  --jp-collaborator-color5: #45d4ff;
+  --jp-collaborator-color6: #e2b1ff;
+  --jp-collaborator-color7: #ff9de6;
+
   /* Vega extension styles */
 
   --jp-vega-background: white;
@@ -13908,37 +7214,94 @@
   --jp-icon-contrast-color1: var(--md-green-600);
   --jp-icon-contrast-color2: var(--md-pink-600);
   --jp-icon-contrast-color3: var(--md-blue-600);
+
+  /* Button colors */
+  --jp-accept-color-normal: var(--md-blue-700);
+  --jp-accept-color-hover: var(--md-blue-800);
+  --jp-accept-color-active: var(--md-blue-900);
+  --jp-warn-color-normal: var(--md-red-700);
+  --jp-warn-color-hover: var(--md-red-800);
+  --jp-warn-color-active: var(--md-red-900);
+  --jp-reject-color-normal: var(--md-grey-600);
+  --jp-reject-color-hover: var(--md-grey-700);
+  --jp-reject-color-active: var(--md-grey-800);
+
+  /* File or activity icons and switch semantic variables */
+  --jp-jupyter-icon-color: #f37626;
+  --jp-notebook-icon-color: #f37626;
+  --jp-json-icon-color: var(--md-orange-700);
+  --jp-console-icon-background-color: var(--md-blue-700);
+  --jp-console-icon-color: white;
+  --jp-terminal-icon-background-color: var(--md-grey-800);
+  --jp-terminal-icon-color: var(--md-grey-200);
+  --jp-text-editor-icon-color: var(--md-grey-700);
+  --jp-inspector-icon-color: var(--md-grey-700);
+  --jp-switch-color: var(--md-grey-400);
+  --jp-switch-true-position-color: var(--md-orange-900);
 }
 </style>
-
 <style type="text/css">
-a.anchor-link {
-   display: none;
+/* Force rendering true colors when outputing to pdf */
+* {
+  -webkit-print-color-adjust: exact;
 }
-.highlight  {
-    margin: 0.4em;
+
+/* Misc */
+a.anchor-link {
+  display: none;
 }
 
 /* Input area styling */
 .jp-InputArea {
-    overflow: hidden;
+  overflow: hidden;
 }
 
 .jp-InputArea-editor {
-    overflow: hidden;
+  overflow: hidden;
+}
+
+.cm-editor.cm-s-jupyter .highlight pre {
+/* weird, but --jp-code-padding defined to be 5px but 4px horizontal padding is hardcoded for pre.cm-line */
+  padding: var(--jp-code-padding) 4px;
+  margin: 0;
+
+  font-family: inherit;
+  font-size: inherit;
+  line-height: inherit;
+  color: inherit;
+
+}
+
+.jp-OutputArea-output pre {
+  line-height: inherit;
+  font-family: inherit;
+}
+
+.jp-RenderedText pre {
+  color: var(--jp-content-font-color1);
+  font-size: var(--jp-code-font-size);
+}
+
+/* Hiding the collapser by default */
+.jp-Collapser {
+  display: none;
+}
+
+@page {
+    margin: 0.5in; /* Margin for each printed piece of paper */
 }
 
 @media print {
-  body {
-    margin: 0;
+  .jp-Cell-inputWrapper,
+  .jp-Cell-outputWrapper {
+    display: block;
   }
 }
 </style>
-
 <!-- Load mathjax -->
-    <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-MML-AM_CHTML-full,Safe"> </script>
-    <!-- MathJax configuration -->
-    <script type="text/x-mathjax-config">
+<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS_CHTML-full,Safe"> </script>
+<!-- MathJax configuration -->
+<script type="text/x-mathjax-config">
     init_mathjax = function() {
         if (window.MathJax) {
         // MathJax loaded
@@ -13956,85 +7319,561 @@
                     processEnvironments: true
                 },
                 displayAlign: 'center',
+                messageStyle: 'none',
                 CommonHTML: {
-                    linebreaks: { 
-                    automatic: true 
-                    }
-                },
-                "HTML-CSS": {
-                    linebreaks: { 
-                    automatic: true 
+                    linebreaks: {
+                    automatic: true
                     }
                 }
             });
-        
+
             MathJax.Hub.Queue(["Typeset", MathJax.Hub]);
         }
     }
     init_mathjax();
     </script>
-    <!-- End of mathjax configuration --></head>
-<body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
+<!-- End of mathjax configuration --><script type="module">
+  document.addEventListener("DOMContentLoaded", async () => {
+    const diagrams = document.querySelectorAll(".jp-Mermaid > pre.mermaid");
+    // do not load mermaidjs if not needed
+    if (!diagrams.length) {
+      return;
+    }
+    const mermaid = (await import("https://cdnjs.cloudflare.com/ajax/libs/mermaid/11.10.0/mermaid.esm.min.mjs")).default;
+    const elkUrl = "https://cdnjs.cloudflare.com/ajax/libs/mermaid-layout-elk/0.1.9/mermaid-layout-elk.esm.min.mjs";
+    if(elkUrl) {
+      const elkLayouts = (await import(elkUrl)).default;
+      mermaid.registerLayoutLoaders(elkLayouts);
+    }
+    const parser = new DOMParser();
+
+    mermaid.initialize({
+      maxTextSize: 100000,
+      maxEdges: 100000,
+      startOnLoad: false,
+      fontFamily: window
+        .getComputedStyle(document.body)
+        .getPropertyValue("--jp-ui-font-family"),
+      theme: document.querySelector("body[data-jp-theme-light='true']")
+        ? "default"
+        : "dark",
+    });
+
+    let _nextMermaidId = 0;
+
+    function makeMermaidImage(svg) {
+      const img = document.createElement("img");
+      const doc = parser.parseFromString(svg, "image/svg+xml");
+      const svgEl = doc.querySelector("svg");
+      const { maxWidth } = svgEl?.style || {};
+      const firstTitle = doc.querySelector("title");
+      const firstDesc = doc.querySelector("desc");
+
+      img.setAttribute("src", `data:image/svg+xml,${encodeURIComponent(svg)}`);
+      if (maxWidth) {
+        img.width = parseInt(maxWidth);
+      }
+      if (firstTitle) {
+        img.setAttribute("alt", firstTitle.textContent);
+      }
+      if (firstDesc) {
+        const caption = document.createElement("figcaption");
+        caption.className = "sr-only";
+        caption.textContent = firstDesc.textContent;
+        return [img, caption];
+      }
+      return [img];
+    }
+
+    async function makeMermaidError(text) {
+      let errorMessage = "";
+      try {
+        await mermaid.parse(text);
+      } catch (err) {
+        errorMessage = `${err}`;
+      }
+
+      const result = document.createElement("details");
+      result.className = 'jp-RenderedMermaid-Details';
+      const summary = document.createElement("summary");
+      summary.className = 'jp-RenderedMermaid-Summary';
+      const pre = document.createElement("pre");
+      const code = document.createElement("code");
+      code.innerText = text;
+      pre.appendChild(code);
+      summary.appendChild(pre);
+      result.appendChild(summary);
+
+      const warning = document.createElement("pre");
+      warning.innerText = errorMessage;
+      result.appendChild(warning);
+      return [result];
+    }
+
+    async function renderOneMarmaid(src) {
+      const id = `jp-mermaid-${_nextMermaidId++}`;
+      const parent = src.parentNode;
+      let raw = src.textContent.trim();
+      const el = document.createElement("div");
+      el.style.visibility = "hidden";
+      document.body.appendChild(el);
+      let results = null;
+      let output = null;
+      try {
+        let { svg } = await mermaid.render(id, raw, el);
+        svg = cleanMermaidSvg(svg);
+        results = makeMermaidImage(svg);
+        output = document.createElement("figure");
+        results.map(output.appendChild, output);
+      } catch (err) {
+        parent.classList.add("jp-mod-warning");
+        results = await makeMermaidError(raw);
+        output = results[0];
+      } finally {
+        el.remove();
+      }
+      parent.classList.add("jp-RenderedMermaid");
+      parent.appendChild(output);
+    }
+
+
+    /**
+     * Post-process to ensure mermaid diagrams contain only valid SVG and XHTML.
+     */
+    function cleanMermaidSvg(svg) {
+      svg = svg.replace(RE_VOID_ELEMENT, replaceVoidElement);
+      return `${SVG_XML_HEADER}${svg}`;
+    }
+
+
+    /**
+     * A regular expression for all void elements, which may include attributes and
+     * a slash.
+     *
+     * @see https://developer.mozilla.org/en-US/docs/Glossary/Void_element
+     *
+     * Of these, only `<br>` is generated by Mermaid in place of `\n`,
+     * but _any_ "malformed" tag will break the SVG rendering entirely.
+     */
+    const RE_VOID_ELEMENT =
+      /<\s*(area|base|br|col|embed|hr|img|input|link|meta|param|source|track|wbr)\s*([^>]*?)\s*>/gi;
+
+    /**
+     * Ensure a void element is closed with a slash, preserving any attributes.
+     */
+    function replaceVoidElement(match, tag, rest) {
+      rest = rest.trim();
+      if (!rest.endsWith('/')) {
+        rest = `${rest} /`;
+      }
+      return `<${tag} ${rest}>`;
+    }
+
+
+  /**
+   * Named HTML entities with their decimal equivalent codes.
+   *
+   * @see https://www.w3.org/TR/WD-html40-970708/sgml/entities.html
+   * */
+  const HTML_ENTITIES = `<!ENTITY Aacute "&#193;">
+<!ENTITY aacute "&#225;">
+<!ENTITY Acirc "&#194;">
+<!ENTITY acirc "&#226;">
+<!ENTITY acute "&#180;">
+<!ENTITY AElig "&#198;">
+<!ENTITY aelig "&#230;">
+<!ENTITY Agrave "&#192;">
+<!ENTITY agrave "&#224;">
+<!ENTITY alefsym "&#8501;">
+<!ENTITY Alpha "&#913;">
+<!ENTITY alpha "&#945;">
+<!ENTITY amp "&#38;">
+<!ENTITY and "&#8869;">
+<!ENTITY ang "&#8736;">
+<!ENTITY Aring "&#197;">
+<!ENTITY aring "&#229;">
+<!ENTITY asymp "&#8776;">
+<!ENTITY Atilde "&#195;">
+<!ENTITY atilde "&#227;">
+<!ENTITY Auml "&#196;">
+<!ENTITY auml "&#228;">
+<!ENTITY bdquo "&#8222;">
+<!ENTITY Beta "&#914;">
+<!ENTITY beta "&#946;">
+<!ENTITY brvbar "&#166;">
+<!ENTITY bull "&#8226;">
+<!ENTITY cap "&#8745;">
+<!ENTITY Ccedil "&#199;">
+<!ENTITY ccedil "&#231;">
+<!ENTITY cedil "&#184;">
+<!ENTITY cent "&#162;">
+<!ENTITY Chi "&#935;">
+<!ENTITY chi "&#967;">
+<!ENTITY circ "&#710;">
+<!ENTITY clubs "&#9827;">
+<!ENTITY cong "&#8773;">
+<!ENTITY copy "&#169;">
+<!ENTITY crarr "&#8629;">
+<!ENTITY cup "&#8746;">
+<!ENTITY curren "&#164;">
+<!ENTITY dagger "&#8224;">
+<!ENTITY Dagger "&#8225;">
+<!ENTITY darr "&#8595;">
+<!ENTITY dArr "&#8659;">
+<!ENTITY deg "&#176;">
+<!ENTITY Delta "&#916;">
+<!ENTITY delta "&#948;">
+<!ENTITY diams "&#9830;">
+<!ENTITY divide "&#247;">
+<!ENTITY Eacute "&#201;">
+<!ENTITY eacute "&#233;">
+<!ENTITY Ecirc "&#202;">
+<!ENTITY ecirc "&#234;">
+<!ENTITY Egrave "&#200;">
+<!ENTITY egrave "&#232;">
+<!ENTITY empty "&#8709;">
+<!ENTITY emsp "&#8195;">
+<!ENTITY ensp "&#8194;">
+<!ENTITY epsilon "&#949;">
+<!ENTITY Epsilon "&#917;">
+<!ENTITY equiv "&#8801;">
+<!ENTITY Eta "&#919;">
+<!ENTITY eta "&#951;">
+<!ENTITY ETH "&#208;">
+<!ENTITY eth "&#240;">
+<!ENTITY Euml "&#203;">
+<!ENTITY euml "&#235;">
+<!ENTITY exist "&#8707;">
+<!ENTITY fnof "&#402;">
+<!ENTITY forall "&#8704;">
+<!ENTITY frac12 "&#189;">
+<!ENTITY frac14 "&#188;">
+<!ENTITY frac34 "&#190;">
+<!ENTITY frasl "&#8260;">
+<!ENTITY Gamma "&#915;">
+<!ENTITY gamma "&#947;">
+<!ENTITY ge "&#8805;">
+<!ENTITY gt "&#62;">
+<!ENTITY harr "&#8596;">
+<!ENTITY hArr "&#8660;">
+<!ENTITY hearts "&#9829;">
+<!ENTITY hellip "&#8230;">
+<!ENTITY Iacute "&#205;">
+<!ENTITY iacute "&#237;">
+<!ENTITY Icirc "&#206;">
+<!ENTITY icirc "&#238;">
+<!ENTITY iexcl "&#161;">
+<!ENTITY Igrave "&#204;">
+<!ENTITY igrave "&#236;">
+<!ENTITY image "&#8465;">
+<!ENTITY infin "&#8734;">
+<!ENTITY int "&#8747;">
+<!ENTITY Iota "&#921;">
+<!ENTITY iota "&#953;">
+<!ENTITY iquest "&#191;">
+<!ENTITY isin "&#8712;">
+<!ENTITY Iuml "&#207;">
+<!ENTITY iuml "&#239;">
+<!ENTITY Kappa "&#922;">
+<!ENTITY kappa "&#954;">
+<!ENTITY Lambda "&#923;">
+<!ENTITY lambda "&#955;">
+<!ENTITY lang "&#9001;">
+<!ENTITY laquo "&#171;">
+<!ENTITY larr "&#8592;">
+<!ENTITY lArr "&#8656;">
+<!ENTITY lceil "&#8968;">
+<!ENTITY ldquo "&#8220;">
+<!ENTITY le "&#8804;">
+<!ENTITY lfloor "&#8970;">
+<!ENTITY lowast "&#8727;">
+<!ENTITY loz "&#9674;">
+<!ENTITY lrm "&#8206;">
+<!ENTITY lsaquo "&#8249;">
+<!ENTITY lsquo "&#8216;">
+<!ENTITY lt "&#60;">
+<!ENTITY macr "&#175;">
+<!ENTITY mdash "&#8212;">
+<!ENTITY micro "&#181;">
+<!ENTITY middot "&#183;">
+<!ENTITY minus "&#8722;">
+<!ENTITY Mu "&#924;">
+<!ENTITY mu "&#956;">
+<!ENTITY nabla "&#8711;">
+<!ENTITY nbsp "&#160;">
+<!ENTITY ndash "&#8211;">
+<!ENTITY ne "&#8800;">
+<!ENTITY ni "&#8715;">
+<!ENTITY not "&#172;">
+<!ENTITY notin "&#8713;">
+<!ENTITY nsub "&#8836;">
+<!ENTITY Ntilde "&#209;">
+<!ENTITY ntilde "&#241;">
+<!ENTITY Nu "&#925;">
+<!ENTITY nu "&#957;">
+<!ENTITY Oacute "&#211;">
+<!ENTITY oacute "&#243;">
+<!ENTITY Ocirc "&#212;">
+<!ENTITY ocirc "&#244;">
+<!ENTITY OElig "&#338;">
+<!ENTITY oelig "&#339;">
+<!ENTITY Ograve "&#210;">
+<!ENTITY ograve "&#242;">
+<!ENTITY oline "&#8254;">
+<!ENTITY Omega "&#937;">
+<!ENTITY omega "&#969;">
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+<!ENTITY zwnj "&#8204;">`.replace(/\n/g, ' ');
+
+  /**
+   * A reasonably strict xml declaration.
+   */
+  const XML_DECL = '<?xml version="1.0" standalone="no"?>';
+
+  /**
+   * The beginning of the XML doctype declaration.
+   */
+  const DOCTYPE_START = `<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd" [`;
+
+  /**
+   * The end of the XML docype declaration.
+   */
+  const DOCTYPE_END = ']>';
+
+  /**
+   * A full header for an SVG XML document.
+   */
+  const SVG_XML_HEADER = `${XML_DECL}
+    ${DOCTYPE_START}${HTML_ENTITIES}${DOCTYPE_END}`;
+
+    void Promise.all([...diagrams].map(renderOneMarmaid));
+  });
+</script>
+<style>
+  .jp-Mermaid:not(.jp-RenderedMermaid) {
+    display: none;
+  }
+
+  .jp-RenderedMermaid {
+    overflow: auto;
+    display: flex;
+  }
 
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-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
-<h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor-link" href="#Cartesian-Reduction-Example">&#182;</a></h1><p>Here we show that a simple convolutional neural network (CNN) can learn to convert between a voxelized grid representation of atomic densities to Cartesian coordinats for a toy one-atom system.</p>
+  .jp-RenderedMermaid.jp-mod-warning {
+    width: auto;
+    padding: 0.5em;
+    margin-top: 0.5em;
+    border: var(--jp-border-width) solid var(--jp-warn-color2);
+    border-radius: var(--jp-border-radius);
+    color: var(--jp-ui-font-color1);
+    font-size: var(--jp-ui-font-size1);
+    white-space: pre-wrap;
+    word-wrap: break-word;
+  }
+
+  .jp-RenderedMermaid figure {
+    margin: 0;
+    overflow: auto;
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid img {
+    max-width: 100%;
+  }
+
+  .jp-RenderedMermaid-Details > pre {
+    margin-top: 1em;
+  }
 
+  .jp-RenderedMermaid-Summary {
+    color: var(--jp-warn-color2);
+  }
+
+  .jp-RenderedMermaid:not(.jp-mod-warning) pre {
+    display: none;
+  }
+
+  .jp-RenderedMermaid-Summary > pre {
+    display: inline-block;
+    white-space: normal;
+  }
+</style>
+<!-- End of mermaid configuration --></head>
+<body class="jp-Notebook" data-jp-theme-light="true" data-jp-theme-name="JupyterLab Light">
+<main>
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
+<h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor-link" href="#Cartesian-Reduction-Example">¶</a></h1><p>Here we show that a simple convolutional neural network (CNN) can learn to convert between a voxelized grid representation of atomic densities to Cartesian coordinats for a toy one-atom system.</p>
+</div>
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[1]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [1]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span> <span class="nn">molgrid</span>
-
-<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
-<span class="kn">import</span> <span class="nn">torch</span>
-<span class="kn">import</span> <span class="nn">torch.nn</span> <span class="k">as</span> <span class="nn">nn</span>
-<span class="kn">import</span> <span class="nn">torch.nn.functional</span> <span class="k">as</span> <span class="nn">F</span>
-<span class="kn">import</span> <span class="nn">torch.optim</span> <span class="k">as</span> <span class="nn">optim</span>
-<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
-<span class="kn">import</span> <span class="nn">seaborn</span> <span class="k">as</span> <span class="nn">sns</span>
-<span class="kn">import</span> <span class="nn">os</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="kn">import</span><span class="w"> </span><span class="nn">molgrid</span>
+
+<span class="kn">import</span><span class="w"> </span><span class="nn">numpy</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">np</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.nn</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">nn</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.nn.functional</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">F</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">torch.optim</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">optim</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">matplotlib.pyplot</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">plt</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">seaborn</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">sns</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">os</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[3]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [3]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">n_types</span> <span class="o">=</span> <span class="mi">1</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">n_types</span> <span class="o">=</span> <span class="mi">1</span>
 <span class="n">n_atoms</span> <span class="o">=</span> <span class="mi">1</span>
 <span class="n">radii</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">((</span><span class="n">n_types</span><span class="p">))</span><span class="o">*</span><span class="mf">2.5</span>  <span class="c1">#fixed radius of 2.5A</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
 </div>
-<div class="jp-Cell-inputWrapper"><div class="jp-InputPrompt jp-InputArea-prompt">
-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+</div>
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>We define a CNN with three layers of convolution/max pooling followed by fully connected layers to generate coordinates and types (which are irrelevant to this toy example).</p>
-
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[4]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [4]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">class</span> <span class="nc">CNN</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">class</span><span class="w"> </span><span class="nc">CNN</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
     
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">gmaker</span><span class="p">,</span> <span class="n">n_types</span><span class="p">,</span> <span class="n">n_latent</span><span class="p">,</span> <span class="n">type_radii</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="mi">80</span><span class="p">):</span>
+    <span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">gmaker</span><span class="p">,</span> <span class="n">n_types</span><span class="p">,</span> <span class="n">n_latent</span><span class="p">,</span> <span class="n">type_radii</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="mi">80</span><span class="p">):</span>
         <span class="nb">super</span><span class="p">(</span><span class="n">CNN</span><span class="p">,</span> <span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
         
         <span class="bp">self</span><span class="o">.</span><span class="n">n_atoms</span> <span class="o">=</span> <span class="n">n_atoms</span>
@@ -14056,12 +7895,12 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
         <span class="bp">self</span><span class="o">.</span><span class="n">c2grid</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">Coords2Grid</span><span class="p">(</span><span class="n">gmaker</span><span class="p">,</span> <span class="n">center</span><span class="o">=</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">))</span>
 
     
-    <span class="k">def</span> <span class="nf">to</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">device</span><span class="p">):</span>
+    <span class="k">def</span><span class="w"> </span><span class="nf">to</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">device</span><span class="p">):</span>
         <span class="n">ret</span> <span class="o">=</span> <span class="nb">super</span><span class="p">(</span><span class="n">CNN</span><span class="p">,</span> <span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="n">device</span><span class="p">)</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">device</span> <span class="o">=</span> <span class="n">device</span>
         <span class="k">return</span> <span class="n">ret</span>
     
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="nb">input</span><span class="p">,</span> <span class="n">temp</span><span class="o">=</span><span class="mf">0.0</span><span class="p">):</span>
+    <span class="k">def</span><span class="w"> </span><span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="nb">input</span><span class="p">,</span> <span class="n">temp</span><span class="o">=</span><span class="mf">0.0</span><span class="p">):</span>
         
         <span class="n">batch_size</span> <span class="o">=</span> <span class="nb">input</span><span class="o">.</span><span class="n">shape</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
         
@@ -14081,141 +7920,140 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
         <span class="k">return</span> <span class="n">coords</span><span class="p">,</span> <span class="n">types</span><span class="p">,</span> <span class="n">grid_gen</span>
         
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
 </div>
-<div class="jp-Cell-inputWrapper"><div class="jp-InputPrompt jp-InputArea-prompt">
-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+</div>
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>An out-of-box loss is necessary to penalize generated coordinates that do not fit within the grid.</p>
-
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[5]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [5]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span> <span class="nf">out_of_box_loss</span><span class="p">(</span><span class="n">c</span><span class="p">,</span> <span class="n">max_val</span><span class="p">):</span>
-    <span class="sd">&#39;&#39;&#39;hingey loss at box boundaries&#39;&#39;&#39;</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span><span class="w"> </span><span class="nf">out_of_box_loss</span><span class="p">(</span><span class="n">c</span><span class="p">,</span> <span class="n">max_val</span><span class="p">):</span>
+<span class="w">    </span><span class="sd">'''hingey loss at box boundaries'''</span>
     <span class="k">return</span> <span class="p">(</span><span class="mf">0.1</span><span class="o">*</span><span class="n">F</span><span class="o">.</span><span class="n">relu</span><span class="p">(</span><span class="nb">abs</span><span class="p">(</span><span class="n">c</span><span class="p">)</span><span class="o">-</span><span class="n">max_val</span><span class="p">))</span><span class="o">.</span><span class="n">sum</span><span class="p">()</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[6]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [6]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span> <span class="nf">weight_init</span><span class="p">(</span><span class="n">m</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">def</span><span class="w"> </span><span class="nf">weight_init</span><span class="p">(</span><span class="n">m</span><span class="p">):</span>
     <span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">nn</span><span class="o">.</span><span class="n">Conv3d</span><span class="p">)</span> <span class="ow">or</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">):</span>
         <span class="n">nn</span><span class="o">.</span><span class="n">init</span><span class="o">.</span><span class="n">xavier_uniform_</span><span class="p">(</span><span class="n">m</span><span class="o">.</span><span class="n">weight</span><span class="o">.</span><span class="n">data</span><span class="p">)</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[7]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [7]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">(</span><span class="n">resolution</span><span class="o">=</span><span class="mf">0.5</span><span class="p">,</span> <span class="n">dimension</span><span class="o">=</span><span class="mf">23.5</span><span class="p">,</span> <span class="n">radius_type_indexed</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">gmaker</span> <span class="o">=</span> <span class="n">molgrid</span><span class="o">.</span><span class="n">GridMaker</span><span class="p">(</span><span class="n">resolution</span><span class="o">=</span><span class="mf">0.5</span><span class="p">,</span> <span class="n">dimension</span><span class="o">=</span><span class="mf">23.5</span><span class="p">,</span> <span class="n">radius_type_indexed</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
 <span class="n">dims</span> <span class="o">=</span> <span class="n">gmaker</span><span class="o">.</span><span class="n">grid_dimensions</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
 
-<span class="n">grid_true</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">empty</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="o">*</span><span class="n">dims</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
-<span class="n">type_count_true</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">empty</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="n">n_types</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<span class="n">grid_true</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">empty</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="o">*</span><span class="n">dims</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
+<span class="n">type_count_true</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">empty</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="n">n_types</span><span class="p">,</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
 
-<span class="n">origtypes</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<span class="n">origtypes</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
 
 <span class="c1">#size radii for batches</span>
-<span class="n">batch_radii</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">tensor</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">tile</span><span class="p">(</span><span class="n">radii</span><span class="p">,</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)),</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<span class="n">batch_radii</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">tensor</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">tile</span><span class="p">(</span><span class="n">radii</span><span class="p">,</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)),</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
 </pre></div>
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-     </div>
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-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[8]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [8]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#create model</span>
-<span class="n">model</span> <span class="o">=</span> <span class="n">CNN</span><span class="p">(</span><span class="n">gmaker</span><span class="p">,</span> <span class="n">type_radii</span><span class="o">=</span><span class="n">batch_radii</span><span class="p">,</span> <span class="n">n_types</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">n_latent</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="n">n_atoms</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#create model</span>
+<span class="n">model</span> <span class="o">=</span> <span class="n">CNN</span><span class="p">(</span><span class="n">gmaker</span><span class="p">,</span> <span class="n">type_radii</span><span class="o">=</span><span class="n">batch_radii</span><span class="p">,</span> <span class="n">n_types</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">n_latent</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="n">n_atoms</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">'cuda'</span><span class="p">)</span>
 <span class="n">model</span><span class="o">.</span><span class="n">apply</span><span class="p">(</span><span class="n">weight_init</span><span class="p">)</span>
 <span class="n">optimizer</span> <span class="o">=</span> <span class="n">optim</span><span class="o">.</span><span class="n">Adam</span><span class="p">(</span><span class="n">model</span><span class="o">.</span><span class="n">parameters</span><span class="p">(),</span> <span class="n">lr</span><span class="o">=</span><span class="mf">.0005</span><span class="p">)</span>
 </pre></div>
-
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 </div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[9]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [9]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">grid_true</span><span class="o">.</span><span class="n">shape</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">grid_true</span><span class="o">.</span><span class="n">shape</span>
 </pre></div>
-
-     </div>
 </div>
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+</div>
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+<div class="jp-OutputArea-child jp-OutputArea-executeResult">
+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[9]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
 <pre style=" white-space: pre;">torch.Size([10, 1, 48, 48, 48])</pre>
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-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>We compute starting losses (from random initialization) to get a sense of the magnitude of the loss of a random prediction.</p>
-
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
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+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[10]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [10]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># compute starting losses for normalization purposes    </span>
-<span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span><span class="o">*</span><span class="mi">10</span><span class="o">-</span><span class="mi">5</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1"># compute starting losses for normalization purposes    </span>
+<span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span><span class="o">*</span><span class="mi">10</span><span class="o">-</span><span class="mi">5</span>
 <span class="k">with</span> <span class="n">torch</span><span class="o">.</span><span class="n">no_grad</span><span class="p">():</span>
 
     <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">batch_size</span><span class="p">):</span>
@@ -14226,133 +8064,116 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
     <span class="n">oob_loss</span>  <span class="o">=</span> <span class="n">out_of_box_loss</span><span class="p">(</span><span class="n">coords</span><span class="p">,</span> <span class="n">max_val</span><span class="o">=</span><span class="mf">11.5</span><span class="p">)</span>
     <span class="n">start_type_loss</span> <span class="o">=</span> <span class="n">F</span><span class="o">.</span><span class="n">mse_loss</span><span class="p">(</span><span class="n">type_count_true</span><span class="p">,</span> <span class="n">types</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">dim</span><span class="o">=</span><span class="mi">1</span><span class="p">))</span>
 </pre></div>
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+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[11]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [11]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">start_type_loss</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">start_type_loss</span>
 </pre></div>
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+</div>
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+</div>
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-    <div class="jp-OutputPrompt jp-OutputArea-prompt">Out[11]:</div>
-
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-<pre style=" white-space: pre;">tensor(1., device=&#39;cuda:0&#39;)</pre>
+<div class="jp-OutputArea-child jp-OutputArea-executeResult">
+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[11]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
+<pre style=" white-space: pre;">tensor(1., device='cuda:0')</pre>
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-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[12]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [12]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">start_grid_loss</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">start_grid_loss</span>
 </pre></div>
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+</div>
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-<pre style=" white-space: pre;">tensor(0.0015, device=&#39;cuda:0&#39;)</pre>
+<div class="jp-OutputArea-child jp-OutputArea-executeResult">
+<div class="jp-OutputPrompt jp-OutputArea-prompt">Out[12]:</div>
+<div class="jp-RenderedText jp-OutputArea-output jp-OutputArea-executeResult" data-mime-type="text/plain" tabindex="0">
+<pre style=" white-space: pre;">tensor(0.0015, device='cuda:0')</pre>
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+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[13]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [13]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#setup plotting</span>
-<span class="k">def</span> <span class="nf">get_ylim</span><span class="p">(</span><span class="n">vals</span><span class="p">):</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#setup plotting</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">get_ylim</span><span class="p">(</span><span class="n">vals</span><span class="p">):</span>
     <span class="n">min_val</span> <span class="o">=</span> <span class="mi">0</span> <span class="c1">#min(vals)</span>
     <span class="n">max_val</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">vals</span><span class="p">)</span>
     <span class="n">val_range</span> <span class="o">=</span> <span class="n">max_val</span> <span class="o">-</span> <span class="n">min_val</span>
     <span class="k">return</span> <span class="n">min_val</span> <span class="o">-</span> <span class="mf">0.1</span><span class="o">*</span><span class="n">val_range</span><span class="p">,</span> <span class="n">max_val</span> <span class="o">+</span> <span class="mf">0.1</span><span class="o">*</span><span class="n">val_range</span>
 
-<span class="kn">import</span> <span class="nn">seaborn</span> <span class="k">as</span> <span class="nn">sns</span>
-<span class="n">sns</span><span class="o">.</span><span class="n">set_style</span><span class="p">(</span><span class="s1">&#39;white&#39;</span><span class="p">)</span>
-<span class="n">sns</span><span class="o">.</span><span class="n">set_context</span><span class="p">(</span><span class="s1">&#39;notebook&#39;</span><span class="p">)</span>
-<span class="n">sns</span><span class="o">.</span><span class="n">set_palette</span><span class="p">(</span><span class="s1">&#39;bright&#39;</span><span class="p">)</span>
-<span class="kn">from</span> <span class="nn">IPython</span> <span class="kn">import</span> <span class="n">display</span>
+<span class="kn">import</span><span class="w"> </span><span class="nn">seaborn</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">sns</span>
+<span class="n">sns</span><span class="o">.</span><span class="n">set_style</span><span class="p">(</span><span class="s1">'white'</span><span class="p">)</span>
+<span class="n">sns</span><span class="o">.</span><span class="n">set_context</span><span class="p">(</span><span class="s1">'notebook'</span><span class="p">)</span>
+<span class="n">sns</span><span class="o">.</span><span class="n">set_palette</span><span class="p">(</span><span class="s1">'bright'</span><span class="p">)</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">IPython</span><span class="w"> </span><span class="kn">import</span> <span class="n">display</span>
 
 <span class="n">grid_losses</span> <span class="o">=</span> <span class="p">[]</span>
 <span class="n">oob_losses</span> <span class="o">=</span> <span class="p">[]</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
 </div>
-<div class="jp-Cell-inputWrapper"><div class="jp-InputPrompt jp-InputArea-prompt">
-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+</div>
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>We train by randomly generating coordinates of atoms, where each x,y,z coordinate ranges from -8 to 8.</p>
-
 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[14]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [14]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">4</span><span class="p">))</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">4</span><span class="p">))</span>
 <span class="n">ax</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">gca</span><span class="p">()</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">grid_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">&#39;grid loss&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">oob_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">&#39;oob loss&#39;</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">grid_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">'grid loss'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">oob_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">'oob loss'</span><span class="p">)</span>
 
 <span class="n">ax</span><span class="o">.</span><span class="n">legend</span><span class="p">(</span><span class="n">loc</span><span class="o">=</span><span class="mi">1</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">&#39;iteration&#39;</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">'iteration'</span><span class="p">)</span>
 
 <span class="n">scheduler</span> <span class="o">=</span> <span class="n">optim</span><span class="o">.</span><span class="n">lr_scheduler</span><span class="o">.</span><span class="n">StepLR</span><span class="p">(</span><span class="n">optimizer</span><span class="p">,</span> <span class="n">step_size</span><span class="o">=</span><span class="mi">400</span><span class="p">,</span> <span class="n">gamma</span><span class="o">=</span><span class="mf">0.1</span><span class="p">)</span>
 
@@ -14361,7 +8182,7 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
     <span class="k">try</span><span class="p">:</span>
         <span class="n">optimizer</span><span class="o">.</span><span class="n">zero_grad</span><span class="p">()</span>
         <span class="c1">#sample coordinates from -8 to 8</span>
-        <span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span><span class="o">*</span><span class="mi">16</span><span class="o">-</span><span class="mi">8</span>
+        <span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span><span class="o">*</span><span class="mi">16</span><span class="o">-</span><span class="mi">8</span>
 
         <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">batch_size</span><span class="p">):</span>
             <span class="n">gmaker</span><span class="o">.</span><span class="n">forward</span><span class="p">((</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">),</span> <span class="n">origcoords</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">origtypes</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">batch_radii</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">grid_true</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
@@ -14391,178 +8212,151 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
             <span class="n">display</span><span class="o">.</span><span class="n">clear_output</span><span class="p">(</span><span class="n">wait</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
 
     <span class="k">except</span> <span class="ne">KeyboardInterrupt</span><span class="p">:</span>
-        <span class="nb">print</span><span class="p">(</span><span class="s1">&#39;interrupted&#39;</span><span class="p">)</span>
+        <span class="nb">print</span><span class="p">(</span><span class="s1">'interrupted'</span><span class="p">)</span>
         <span class="k">break</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
 <div class="jp-Cell-outputWrapper">
-
-
+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
 <div class="jp-OutputArea jp-Cell-outputArea">
-
 <div class="jp-OutputArea-child">
-
-    
-    <div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
-
-
-
-
-<div class="jp-RenderedImage jp-OutputArea-output ">
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
+"/>
 </div>
-
 </div>
-
 </div>
-
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[15]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [15]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">with</span> <span class="n">torch</span><span class="o">.</span><span class="n">no_grad</span><span class="p">():</span> <span class="c1">#mean squared error on coordinates</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">with</span> <span class="n">torch</span><span class="o">.</span><span class="n">no_grad</span><span class="p">():</span> <span class="c1">#mean squared error on coordinates</span>
     <span class="nb">print</span><span class="p">(</span><span class="n">F</span><span class="o">.</span><span class="n">mse_loss</span><span class="p">(</span><span class="n">coords</span><span class="p">,</span><span class="n">origcoords</span><span class="p">))</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
 <div class="jp-Cell-outputWrapper">
-
-
+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
 <div class="jp-OutputArea jp-Cell-outputArea">
-
 <div class="jp-OutputArea-child">
-
-    
-    <div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
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-<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="text/plain">
-<pre style=" white-space: pre;">tensor(0.0920, device=&#39;cuda:0&#39;)
+<div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
+<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="text/plain" tabindex="0">
+<pre style=" white-space: pre;">tensor(0.0920, device='cuda:0')
 </pre>
 </div>
 </div>
-
 </div>
-
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[16]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [16]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">true</span> <span class="o">=</span> <span class="n">origcoords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">true</span> <span class="o">=</span> <span class="n">origcoords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
 <span class="n">pred</span> <span class="o">=</span> <span class="n">coords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[17]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [17]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="k">matplotlib</span> inline
-<span class="kn">from</span> <span class="nn">mpl_toolkits.mplot3d</span> <span class="kn">import</span> <span class="n">Axes3D</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="o">%</span><span class="n">matplotlib</span> <span class="n">inline</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">mpl_toolkits.mplot3d</span><span class="w"> </span><span class="kn">import</span> <span class="n">Axes3D</span>
 <span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
-<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">,</span> <span class="n">projection</span><span class="o">=</span><span class="s1">&#39;3d&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">&#39;pred&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">true</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">&#39;true&#39;</span><span class="p">)</span>
+<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">,</span> <span class="n">projection</span><span class="o">=</span><span class="s1">'3d'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">'pred'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">true</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">'true'</span><span class="p">)</span>
 <span class="n">plt</span><span class="o">.</span><span class="n">legend</span><span class="p">();</span>
 </pre></div>
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
+"/>
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-</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput " data-mime-type="text/markdown">
+<div class="jp-Cell jp-MarkdownCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
+<div class="jp-InputArea jp-Cell-inputArea"><div class="jp-InputPrompt jp-InputArea-prompt">
+</div><div class="jp-RenderedHTMLCommon jp-RenderedMarkdown jp-MarkdownOutput" data-mime-type="text/markdown">
 <p>Because the atomic gradient is "short sighted" - it can only "see" areas of the grid that overlap the atom, we can train faster by warming up the model with generated coordinates that span a smaller range initially (and are closer to the near-zero coordinates generated from random weights).</p>
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 </div>
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs  ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell jp-mod-noOutputs">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[18]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [18]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">grid_losses</span> <span class="o">=</span> <span class="p">[]</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">grid_losses</span> <span class="o">=</span> <span class="p">[]</span>
 <span class="n">oob_losses</span> <span class="o">=</span> <span class="p">[]</span>
 
 <span class="c1">#recreate model</span>
-<span class="n">model</span> <span class="o">=</span> <span class="n">CNN</span><span class="p">(</span><span class="n">gmaker</span><span class="p">,</span> <span class="n">type_radii</span><span class="o">=</span><span class="n">batch_radii</span><span class="p">,</span> <span class="n">n_types</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">n_latent</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="n">n_atoms</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<span class="n">model</span> <span class="o">=</span> <span class="n">CNN</span><span class="p">(</span><span class="n">gmaker</span><span class="p">,</span> <span class="n">type_radii</span><span class="o">=</span><span class="n">batch_radii</span><span class="p">,</span> <span class="n">n_types</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">n_latent</span><span class="o">=</span><span class="mi">100</span><span class="p">,</span> <span class="n">n_atoms</span><span class="o">=</span><span class="n">n_atoms</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="s1">'cuda'</span><span class="p">)</span>
 <span class="n">model</span><span class="o">.</span><span class="n">apply</span><span class="p">(</span><span class="n">weight_init</span><span class="p">)</span>
 <span class="n">optimizer</span> <span class="o">=</span> <span class="n">optim</span><span class="o">.</span><span class="n">Adam</span><span class="p">(</span><span class="n">model</span><span class="o">.</span><span class="n">parameters</span><span class="p">(),</span> <span class="n">lr</span><span class="o">=</span><span class="mf">.0005</span><span class="p">)</span>
 </pre></div>
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-     </div>
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 </div>
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-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div>
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[19]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [19]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#size radii for batches</span>
-<span class="n">batch_radii</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">tensor</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">tile</span><span class="p">(</span><span class="n">radii</span><span class="p">,</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)),</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="c1">#size radii for batches</span>
+<span class="n">batch_radii</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">tensor</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">tile</span><span class="p">(</span><span class="n">radii</span><span class="p">,</span> <span class="p">(</span><span class="n">batch_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)),</span> <span class="n">dtype</span><span class="o">=</span><span class="n">torch</span><span class="o">.</span><span class="n">float32</span><span class="p">,</span> <span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span>
 
 <span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">4</span><span class="p">))</span>
 <span class="n">ax</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">gca</span><span class="p">()</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">grid_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">&#39;grid loss&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">oob_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">&#39;oob loss&#39;</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">grid_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">'grid loss'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">oob_losses</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="s1">'oob loss'</span><span class="p">)</span>
 
 <span class="n">ax</span><span class="o">.</span><span class="n">legend</span><span class="p">(</span><span class="n">loc</span><span class="o">=</span><span class="mi">1</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">&#39;iteration&#39;</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">'iteration'</span><span class="p">)</span>
 
 <span class="n">scheduler</span> <span class="o">=</span> <span class="n">optim</span><span class="o">.</span><span class="n">lr_scheduler</span><span class="o">.</span><span class="n">StepLR</span><span class="p">(</span><span class="n">optimizer</span><span class="p">,</span> <span class="n">step_size</span><span class="o">=</span><span class="mi">400</span><span class="p">,</span> <span class="n">gamma</span><span class="o">=</span><span class="mf">0.1</span><span class="p">)</span>
 
@@ -14570,7 +8364,7 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
     <span class="k">for</span> <span class="nb">iter</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">100</span><span class="p">):</span>
         <span class="k">try</span><span class="p">:</span>
             <span class="n">optimizer</span><span class="o">.</span><span class="n">zero_grad</span><span class="p">()</span>
-            <span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">&#39;cuda&#39;</span><span class="p">)</span><span class="o">*</span><span class="mi">2</span><span class="o">*</span><span class="n">maxcoord</span><span class="o">-</span><span class="n">maxcoord</span>
+            <span class="n">origcoords</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">rand</span><span class="p">(</span><span class="n">batch_size</span><span class="p">,</span><span class="n">n_atoms</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="n">device</span><span class="o">=</span><span class="s1">'cuda'</span><span class="p">)</span><span class="o">*</span><span class="mi">2</span><span class="o">*</span><span class="n">maxcoord</span><span class="o">-</span><span class="n">maxcoord</span>
 
             <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">batch_size</span><span class="p">):</span>
                 <span class="n">gmaker</span><span class="o">.</span><span class="n">forward</span><span class="p">((</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">),</span> <span class="n">origcoords</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">origtypes</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">batch_radii</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">grid_true</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
@@ -14601,151 +8395,116 @@ <h1 id="Cartesian-Reduction-Example">Cartesian Reduction Example<a class="anchor
                 <span class="n">display</span><span class="o">.</span><span class="n">clear_output</span><span class="p">(</span><span class="n">wait</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
 
         <span class="k">except</span> <span class="ne">KeyboardInterrupt</span><span class="p">:</span>
-            <span class="nb">print</span><span class="p">(</span><span class="s1">&#39;interrupted&#39;</span><span class="p">)</span>
+            <span class="nb">print</span><span class="p">(</span><span class="s1">'interrupted'</span><span class="p">)</span>
             <span class="k">break</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
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+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
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-
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-
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-    <div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
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-<div class="jp-RenderedImage jp-OutputArea-output ">
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
+"/>
 </div>
-
 </div>
-
 </div>
-
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[20]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [20]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">with</span> <span class="n">torch</span><span class="o">.</span><span class="n">no_grad</span><span class="p">():</span> <span class="c1">#mean squared error on coordinates</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="k">with</span> <span class="n">torch</span><span class="o">.</span><span class="n">no_grad</span><span class="p">():</span> <span class="c1">#mean squared error on coordinates</span>
     <span class="nb">print</span><span class="p">(</span><span class="n">F</span><span class="o">.</span><span class="n">mse_loss</span><span class="p">(</span><span class="n">coords</span><span class="p">,</span><span class="n">origcoords</span><span class="p">))</span>
 </pre></div>
-
-     </div>
 </div>
 </div>
 </div>
-
+</div>
 <div class="jp-Cell-outputWrapper">
-
-
+<div class="jp-Collapser jp-OutputCollapser jp-Cell-outputCollapser">
+</div>
 <div class="jp-OutputArea jp-Cell-outputArea">
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 <div class="jp-OutputArea-child">
-
-    
-    <div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
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-<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="text/plain">
-<pre style=" white-space: pre;">tensor(0.0066, device=&#39;cuda:0&#39;)
+<div class="jp-OutputPrompt jp-OutputArea-prompt"></div>
+<div class="jp-RenderedText jp-OutputArea-output" data-mime-type="text/plain" tabindex="0">
+<pre style=" white-space: pre;">tensor(0.0066, device='cuda:0')
 </pre>
 </div>
 </div>
-
 </div>
-
 </div>
-
-</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell   ">
-<div class="jp-Cell-inputWrapper">
+</div><div class="jp-Cell jp-CodeCell jp-Notebook-cell">
+<div class="jp-Cell-inputWrapper" tabindex="0">
+<div class="jp-Collapser jp-InputCollapser jp-Cell-inputCollapser">
+</div>
 <div class="jp-InputArea jp-Cell-inputArea">
-<div class="jp-InputPrompt jp-InputArea-prompt">In&nbsp;[21]:</div>
+<div class="jp-InputPrompt jp-InputArea-prompt">In [21]:</div>
 <div class="jp-CodeMirrorEditor jp-Editor jp-InputArea-editor" data-type="inline">
-     <div class="CodeMirror cm-s-jupyter">
-<div class=" highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">true</span> <span class="o">=</span> <span class="n">origcoords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
+<div class="cm-editor cm-s-jupyter">
+<div class="highlight hl-ipython3"><pre style=" white-space: pre;"><span></span><span class="n">true</span> <span class="o">=</span> <span class="n">origcoords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
 <span class="n">pred</span> <span class="o">=</span> <span class="n">coords</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span><span class="o">.</span><span class="n">cpu</span><span class="p">()</span><span class="o">.</span><span class="n">numpy</span><span class="p">()</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">3</span><span class="p">)</span>
 
 <span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
-<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">,</span> <span class="n">projection</span><span class="o">=</span><span class="s1">&#39;3d&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">&#39;pred&#39;</span><span class="p">)</span>
-<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">true</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">&#39;true&#39;</span><span class="p">)</span>
+<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">,</span> <span class="n">projection</span><span class="o">=</span><span class="s1">'3d'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">pred</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">'pred'</span><span class="p">)</span>
+<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">true</span><span class="p">[:,</span><span class="mi">0</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">1</span><span class="p">],</span><span class="n">true</span><span class="p">[:,</span><span class="mi">2</span><span class="p">],</span><span class="n">label</span><span class="o">=</span><span class="s1">'true'</span><span class="p">)</span>
 <span class="n">plt</span><span class="o">.</span><span class="n">legend</span><span class="p">();</span>
 </pre></div>
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diff --git a/docs/cpp/.buildinfo b/docs/cpp/.buildinfo
index 9e7837d7..0399a2d4 100644
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diff --git a/docs/cpp/.doctrees/index.doctree b/docs/cpp/.doctrees/index.doctree
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diff --git a/docs/cpp/_sources/index.rst.txt b/docs/cpp/_sources/index.rst.txt
index 84cf5cc5..70f78610 100644
--- a/docs/cpp/_sources/index.rst.txt
+++ b/docs/cpp/_sources/index.rst.txt
@@ -11,7 +11,6 @@ libmolgrid C++ API Documentation
    About <../about#://>
    Docs Home <../docs.html#://>
    Tutorials <../tutorials#://>
-   libmolgrid C++ documentation <index>
 
 C++ Docs
 ========
diff --git a/docs/cpp/_static/_sphinx_javascript_frameworks_compat.js b/docs/cpp/_static/_sphinx_javascript_frameworks_compat.js
new file mode 100644
index 00000000..81415803
--- /dev/null
+++ b/docs/cpp/_static/_sphinx_javascript_frameworks_compat.js
@@ -0,0 +1,123 @@
+/* Compatability shim for jQuery and underscores.js.
+ *
+ * Copyright Sphinx contributors
+ * Released under the two clause BSD licence
+ */
+
+/**
+ * small helper function to urldecode strings
+ *
+ * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL
+ */
+jQuery.urldecode = function(x) {
+    if (!x) {
+        return x
+    }
+    return decodeURIComponent(x.replace(/\+/g, ' '));
+};
+
+/**
+ * small helper function to urlencode strings
+ */
+jQuery.urlencode = encodeURIComponent;
+
+/**
+ * This function returns the parsed url parameters of the
+ * current request. Multiple values per key are supported,
+ * it will always return arrays of strings for the value parts.
+ */
+jQuery.getQueryParameters = function(s) {
+    if (typeof s === 'undefined')
+        s = document.location.search;
+    var parts = s.substr(s.indexOf('?') + 1).split('&');
+    var result = {};
+    for (var i = 0; i < parts.length; i++) {
+        var tmp = parts[i].split('=', 2);
+        var key = jQuery.urldecode(tmp[0]);
+        var value = jQuery.urldecode(tmp[1]);
+        if (key in result)
+            result[key].push(value);
+        else
+            result[key] = [value];
+    }
+    return result;
+};
+
+/**
+ * highlight a given string on a jquery object by wrapping it in
+ * span elements with the given class name.
+ */
+jQuery.fn.highlightText = function(text, className) {
+    function highlight(node, addItems) {
+        if (node.nodeType === 3) {
+            var val = node.nodeValue;
+            var pos = val.toLowerCase().indexOf(text);
+            if (pos >= 0 &&
+                !jQuery(node.parentNode).hasClass(className) &&
+                !jQuery(node.parentNode).hasClass("nohighlight")) {
+                var span;
+                var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg");
+                if (isInSVG) {
+                    span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
+                } else {
+                    span = document.createElement("span");
+                    span.className = className;
+                }
+                span.appendChild(document.createTextNode(val.substr(pos, text.length)));
+                node.parentNode.insertBefore(span, node.parentNode.insertBefore(
+                    document.createTextNode(val.substr(pos + text.length)),
+                    node.nextSibling));
+                node.nodeValue = val.substr(0, pos);
+                if (isInSVG) {
+                    var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect");
+                    var bbox = node.parentElement.getBBox();
+                    rect.x.baseVal.value = bbox.x;
+                    rect.y.baseVal.value = bbox.y;
+                    rect.width.baseVal.value = bbox.width;
+                    rect.height.baseVal.value = bbox.height;
+                    rect.setAttribute('class', className);
+                    addItems.push({
+                        "parent": node.parentNode,
+                        "target": rect});
+                }
+            }
+        }
+        else if (!jQuery(node).is("button, select, textarea")) {
+            jQuery.each(node.childNodes, function() {
+                highlight(this, addItems);
+            });
+        }
+    }
+    var addItems = [];
+    var result = this.each(function() {
+        highlight(this, addItems);
+    });
+    for (var i = 0; i < addItems.length; ++i) {
+        jQuery(addItems[i].parent).before(addItems[i].target);
+    }
+    return result;
+};
+
+/*
+ * backward compatibility for jQuery.browser
+ * This will be supported until firefox bug is fixed.
+ */
+if (!jQuery.browser) {
+    jQuery.uaMatch = function(ua) {
+        ua = ua.toLowerCase();
+
+        var match = /(chrome)[ \/]([\w.]+)/.exec(ua) ||
+            /(webkit)[ \/]([\w.]+)/.exec(ua) ||
+            /(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) ||
+            /(msie) ([\w.]+)/.exec(ua) ||
+            ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) ||
+            [];
+
+        return {
+            browser: match[ 1 ] || "",
+            version: match[ 2 ] || "0"
+        };
+    };
+    jQuery.browser = {};
+    jQuery.browser[jQuery.uaMatch(navigator.userAgent).browser] = true;
+}
diff --git a/docs/cpp/_static/base-stemmer.js b/docs/cpp/_static/base-stemmer.js
new file mode 100644
index 00000000..e6fa0c49
--- /dev/null
+++ b/docs/cpp/_static/base-stemmer.js
@@ -0,0 +1,476 @@
+// @ts-check
+
+/**@constructor*/
+BaseStemmer = function() {
+    /** @protected */
+    this.current = '';
+    this.cursor = 0;
+    this.limit = 0;
+    this.limit_backward = 0;
+    this.bra = 0;
+    this.ket = 0;
+
+    /**
+     * @param {string} value
+     */
+    this.setCurrent = function(value) {
+        this.current = value;
+        this.cursor = 0;
+        this.limit = this.current.length;
+        this.limit_backward = 0;
+        this.bra = this.cursor;
+        this.ket = this.limit;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.getCurrent = function() {
+        return this.current;
+    };
+
+    /**
+     * @param {BaseStemmer} other
+     */
+    this.copy_from = function(other) {
+        /** @protected */
+        this.current          = other.current;
+        this.cursor           = other.cursor;
+        this.limit            = other.limit;
+        this.limit_backward   = other.limit_backward;
+        this.bra              = other.bra;
+        this.ket              = other.ket;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.in_grouping = function(s, min, max) {
+        /** @protected */
+        if (this.cursor >= this.limit) return false;
+        var ch = this.current.charCodeAt(this.cursor);
+        if (ch > max || ch < min) return false;
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false;
+        this.cursor++;
+        return true;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_in_grouping = function(s, min, max) {
+        /** @protected */
+        while (this.cursor < this.limit) {
+            var ch = this.current.charCodeAt(this.cursor);
+            if (ch > max || ch < min)
+                return true;
+            ch -= min;
+            if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0)
+                return true;
+            this.cursor++;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.in_grouping_b = function(s, min, max) {
+        /** @protected */
+        if (this.cursor <= this.limit_backward) return false;
+        var ch = this.current.charCodeAt(this.cursor - 1);
+        if (ch > max || ch < min) return false;
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false;
+        this.cursor--;
+        return true;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_in_grouping_b = function(s, min, max) {
+        /** @protected */
+        while (this.cursor > this.limit_backward) {
+            var ch = this.current.charCodeAt(this.cursor - 1);
+            if (ch > max || ch < min) return true;
+            ch -= min;
+            if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return true;
+            this.cursor--;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.out_grouping = function(s, min, max) {
+        /** @protected */
+        if (this.cursor >= this.limit) return false;
+        var ch = this.current.charCodeAt(this.cursor);
+        if (ch > max || ch < min) {
+            this.cursor++;
+            return true;
+        }
+        ch -= min;
+        if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) == 0) {
+            this.cursor++;
+            return true;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_out_grouping = function(s, min, max) {
+        /** @protected */
+        while (this.cursor < this.limit) {
+            var ch = this.current.charCodeAt(this.cursor);
+            if (ch <= max && ch >= min) {
+                ch -= min;
+                if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) != 0) {
+                    return true;
+                }
+            }
+            this.cursor++;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.out_grouping_b = function(s, min, max) {
+        /** @protected */
+        if (this.cursor <= this.limit_backward) return false;
+        var ch = this.current.charCodeAt(this.cursor - 1);
+        if (ch > max || ch < min) {
+            this.cursor--;
+            return true;
+        }
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) {
+            this.cursor--;
+            return true;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_out_grouping_b = function(s, min, max) {
+        /** @protected */
+        while (this.cursor > this.limit_backward) {
+            var ch = this.current.charCodeAt(this.cursor - 1);
+            if (ch <= max && ch >= min) {
+                ch -= min;
+                if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) != 0) {
+                    return true;
+                }
+            }
+            this.cursor--;
+        }
+        return false;
+    };
+
+    /**
+     * @param {string} s
+     * @return {boolean}
+     */
+    this.eq_s = function(s)
+    {
+        /** @protected */
+        if (this.limit - this.cursor < s.length) return false;
+        if (this.current.slice(this.cursor, this.cursor + s.length) != s)
+        {
+            return false;
+        }
+        this.cursor += s.length;
+        return true;
+    };
+
+    /**
+     * @param {string} s
+     * @return {boolean}
+     */
+    this.eq_s_b = function(s)
+    {
+        /** @protected */
+        if (this.cursor - this.limit_backward < s.length) return false;
+        if (this.current.slice(this.cursor - s.length, this.cursor) != s)
+        {
+            return false;
+        }
+        this.cursor -= s.length;
+        return true;
+    };
+
+    /**
+     * @param {Among[]} v
+     * @return {number}
+     */
+    this.find_among = function(v)
+    {
+        /** @protected */
+        var i = 0;
+        var j = v.length;
+
+        var c = this.cursor;
+        var l = this.limit;
+
+        var common_i = 0;
+        var common_j = 0;
+
+        var first_key_inspected = false;
+
+        while (true)
+        {
+            var k = i + ((j - i) >>> 1);
+            var diff = 0;
+            var common = common_i < common_j ? common_i : common_j; // smaller
+            // w[0]: string, w[1]: substring_i, w[2]: result, w[3]: function (optional)
+            var w = v[k];
+            var i2;
+            for (i2 = common; i2 < w[0].length; i2++)
+            {
+                if (c + common == l)
+                {
+                    diff = -1;
+                    break;
+                }
+                diff = this.current.charCodeAt(c + common) - w[0].charCodeAt(i2);
+                if (diff != 0) break;
+                common++;
+            }
+            if (diff < 0)
+            {
+                j = k;
+                common_j = common;
+            }
+            else
+            {
+                i = k;
+                common_i = common;
+            }
+            if (j - i <= 1)
+            {
+                if (i > 0) break; // v->s has been inspected
+                if (j == i) break; // only one item in v
+
+                // - but now we need to go round once more to get
+                // v->s inspected. This looks messy, but is actually
+                // the optimal approach.
+
+                if (first_key_inspected) break;
+                first_key_inspected = true;
+            }
+        }
+        do {
+            var w = v[i];
+            if (common_i >= w[0].length)
+            {
+                this.cursor = c + w[0].length;
+                if (w.length < 4) return w[2];
+                var res = w[3](this);
+                this.cursor = c + w[0].length;
+                if (res) return w[2];
+            }
+            i = w[1];
+        } while (i >= 0);
+        return 0;
+    };
+
+    // find_among_b is for backwards processing. Same comments apply
+    /**
+     * @param {Among[]} v
+     * @return {number}
+     */
+    this.find_among_b = function(v)
+    {
+        /** @protected */
+        var i = 0;
+        var j = v.length
+
+        var c = this.cursor;
+        var lb = this.limit_backward;
+
+        var common_i = 0;
+        var common_j = 0;
+
+        var first_key_inspected = false;
+
+        while (true)
+        {
+            var k = i + ((j - i) >> 1);
+            var diff = 0;
+            var common = common_i < common_j ? common_i : common_j;
+            var w = v[k];
+            var i2;
+            for (i2 = w[0].length - 1 - common; i2 >= 0; i2--)
+            {
+                if (c - common == lb)
+                {
+                    diff = -1;
+                    break;
+                }
+                diff = this.current.charCodeAt(c - 1 - common) - w[0].charCodeAt(i2);
+                if (diff != 0) break;
+                common++;
+            }
+            if (diff < 0)
+            {
+                j = k;
+                common_j = common;
+            }
+            else
+            {
+                i = k;
+                common_i = common;
+            }
+            if (j - i <= 1)
+            {
+                if (i > 0) break;
+                if (j == i) break;
+                if (first_key_inspected) break;
+                first_key_inspected = true;
+            }
+        }
+        do {
+            var w = v[i];
+            if (common_i >= w[0].length)
+            {
+                this.cursor = c - w[0].length;
+                if (w.length < 4) return w[2];
+                var res = w[3](this);
+                this.cursor = c - w[0].length;
+                if (res) return w[2];
+            }
+            i = w[1];
+        } while (i >= 0);
+        return 0;
+    };
+
+    /* to replace chars between c_bra and c_ket in this.current by the
+     * chars in s.
+     */
+    /**
+     * @param {number} c_bra
+     * @param {number} c_ket
+     * @param {string} s
+     * @return {number}
+     */
+    this.replace_s = function(c_bra, c_ket, s)
+    {
+        /** @protected */
+        var adjustment = s.length - (c_ket - c_bra);
+        this.current = this.current.slice(0, c_bra) + s + this.current.slice(c_ket);
+        this.limit += adjustment;
+        if (this.cursor >= c_ket) this.cursor += adjustment;
+        else if (this.cursor > c_bra) this.cursor = c_bra;
+        return adjustment;
+    };
+
+    /**
+     * @return {boolean}
+     */
+    this.slice_check = function()
+    {
+        /** @protected */
+        if (this.bra < 0 ||
+            this.bra > this.ket ||
+            this.ket > this.limit ||
+            this.limit > this.current.length)
+        {
+            return false;
+        }
+        return true;
+    };
+
+    /**
+     * @param {number} c_bra
+     * @return {boolean}
+     */
+    this.slice_from = function(s)
+    {
+        /** @protected */
+        var result = false;
+        if (this.slice_check())
+        {
+            this.replace_s(this.bra, this.ket, s);
+            result = true;
+        }
+        return result;
+    };
+
+    /**
+     * @return {boolean}
+     */
+    this.slice_del = function()
+    {
+        /** @protected */
+        return this.slice_from("");
+    };
+
+    /**
+     * @param {number} c_bra
+     * @param {number} c_ket
+     * @param {string} s
+     */
+    this.insert = function(c_bra, c_ket, s)
+    {
+        /** @protected */
+        var adjustment = this.replace_s(c_bra, c_ket, s);
+        if (c_bra <= this.bra) this.bra += adjustment;
+        if (c_bra <= this.ket) this.ket += adjustment;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.slice_to = function()
+    {
+        /** @protected */
+        var result = '';
+        if (this.slice_check())
+        {
+            result = this.current.slice(this.bra, this.ket);
+        }
+        return result;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.assign_to = function()
+    {
+        /** @protected */
+        return this.current.slice(0, this.limit);
+    };
+};
diff --git a/docs/cpp/_static/basic.css b/docs/cpp/_static/basic.css
index 603f6a87..4738b2ed 100644
--- a/docs/cpp/_static/basic.css
+++ b/docs/cpp/_static/basic.css
@@ -1,12 +1,5 @@
 /*
- * basic.css
- * ~~~~~~~~~
- *
  * Sphinx stylesheet -- basic theme.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
  */
 
 /* -- main layout ----------------------------------------------------------- */
@@ -115,15 +108,11 @@ img {
 /* -- search page ----------------------------------------------------------- */
 
 ul.search {
-    margin: 10px 0 0 20px;
-    padding: 0;
+    margin-top: 10px;
 }
 
 ul.search li {
-    padding: 5px 0 5px 20px;
-    background-image: url(file.png);
-    background-repeat: no-repeat;
-    background-position: 0 7px;
+    padding: 5px 0;
 }
 
 ul.search li a {
@@ -222,7 +211,7 @@ table.modindextable td {
 /* -- general body styles --------------------------------------------------- */
 
 div.body {
-    min-width: 450px;
+    min-width: 360px;
     max-width: 800px;
 }
 
@@ -237,14 +226,8 @@ a.headerlink {
     visibility: hidden;
 }
 
-a.brackets:before,
-span.brackets > a:before{
-    content: "[";
-}
-
-a.brackets:after,
-span.brackets > a:after {
-    content: "]";
+a:visited {
+    color: #551A8B;
 }
 
 h1:hover > a.headerlink,
@@ -335,12 +318,16 @@ p.sidebar-title {
     font-weight: bold;
 }
 
+nav.contents,
+aside.topic,
 div.admonition, div.topic, blockquote {
     clear: left;
 }
 
 /* -- topics ---------------------------------------------------------------- */
 
+nav.contents,
+aside.topic,
 div.topic {
     border: 1px solid #ccc;
     padding: 7px;
@@ -379,6 +366,8 @@ div.body p.centered {
 
 div.sidebar > :last-child,
 aside.sidebar > :last-child,
+nav.contents > :last-child,
+aside.topic > :last-child,
 div.topic > :last-child,
 div.admonition > :last-child {
     margin-bottom: 0;
@@ -386,6 +375,8 @@ div.admonition > :last-child {
 
 div.sidebar::after,
 aside.sidebar::after,
+nav.contents::after,
+aside.topic::after,
 div.topic::after,
 div.admonition::after,
 blockquote::after {
@@ -428,10 +419,6 @@ table.docutils td, table.docutils th {
     border-bottom: 1px solid #aaa;
 }
 
-table.footnote td, table.footnote th {
-    border: 0 !important;
-}
-
 th {
     text-align: left;
     padding-right: 5px;
@@ -615,19 +602,26 @@ ul.simple p {
     margin-bottom: 0;
 }
 
-dl.footnote > dt,
-dl.citation > dt {
+aside.footnote > span,
+div.citation > span {
     float: left;
-    margin-right: 0.5em;
 }
-
-dl.footnote > dd,
-dl.citation > dd {
+aside.footnote > span:last-of-type,
+div.citation > span:last-of-type {
+  padding-right: 0.5em;
+}
+aside.footnote > p {
+  margin-left: 2em;
+}
+div.citation > p {
+  margin-left: 4em;
+}
+aside.footnote > p:last-of-type,
+div.citation > p:last-of-type {
     margin-bottom: 0em;
 }
-
-dl.footnote > dd:after,
-dl.citation > dd:after {
+aside.footnote > p:last-of-type:after,
+div.citation > p:last-of-type:after {
     content: "";
     clear: both;
 }
@@ -644,10 +638,6 @@ dl.field-list > dt {
     padding-right: 5px;
 }
 
-dl.field-list > dt:after {
-    content: ":";
-}
-
 dl.field-list > dd {
     padding-left: 0.5em;
     margin-top: 0em;
@@ -673,6 +663,16 @@ dd {
     margin-left: 30px;
 }
 
+.sig dd {
+    margin-top: 0px;
+    margin-bottom: 0px;
+}
+
+.sig dl {
+    margin-top: 0px;
+    margin-bottom: 0px;
+}
+
 dl > dd:last-child,
 dl > dd:last-child > :last-child {
     margin-bottom: 0;
@@ -757,6 +757,7 @@ span.pre {
     -ms-hyphens: none;
     -webkit-hyphens: none;
     hyphens: none;
+    white-space: nowrap;
 }
 
 div[class*="highlight-"] {
diff --git a/docs/cpp/_static/css/badge_only.css b/docs/cpp/_static/css/badge_only.css
index e380325b..88ba55b9 100644
--- a/docs/cpp/_static/css/badge_only.css
+++ b/docs/cpp/_static/css/badge_only.css
@@ -1 +1 @@
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\ No newline at end of file
+.clearfix{*zoom:1}.clearfix:after,.clearfix:before{display:table;content:""}.clearfix:after{clear:both}@font-face{font-family:FontAwesome;font-style:normal;font-weight:400;src:url(fonts/fontawesome-webfont.eot?674f50d287a8c48dc19ba404d20fe713?#iefix) format("embedded-opentype"),url(fonts/fontawesome-webfont.woff2?af7ae505a9eed503f8b8e6982036873e) format("woff2"),url(fonts/fontawesome-webfont.woff?fee66e712a8a08eef5805a46892932ad) format("woff"),url(fonts/fontawesome-webfont.ttf?b06871f281fee6b241d60582ae9369b9) format("truetype"),url(fonts/fontawesome-webfont.svg?912ec66d7572ff821749319396470bde#FontAwesome) format("svg")}.fa:before{font-family:FontAwesome;font-style:normal;font-weight:400;line-height:1}.fa:before,a .fa{text-decoration:inherit}.fa:before,a .fa,li .fa{display:inline-block}li .fa-large:before{width:1.875em}ul.fas{list-style-type:none;margin-left:2em;text-indent:-.8em}ul.fas li .fa{width:.8em}ul.fas li .fa-large:before{vertical-align:baseline}.fa-book:before,.icon-book:before{content:"\f02d"}.fa-caret-down:before,.icon-caret-down:before{content:"\f0d7"}.fa-caret-up:before,.icon-caret-up:before{content:"\f0d8"}.fa-caret-left:before,.icon-caret-left:before{content:"\f0d9"}.fa-caret-right:before,.icon-caret-right:before{content:"\f0da"}.rst-versions{position:fixed;bottom:0;left:0;width:300px;color:#fcfcfc;background:#1f1d1d;font-family:Lato,proxima-nova,Helvetica Neue,Arial,sans-serif;z-index:400}.rst-versions a{color:#2980b9;text-decoration:none}.rst-versions .rst-badge-small{display:none}.rst-versions .rst-current-version{padding:12px;background-color:#272525;display:block;text-align:right;font-size:90%;cursor:pointer;color:#27ae60}.rst-versions .rst-current-version:after{clear:both;content:"";display:block}.rst-versions .rst-current-version .fa{color:#fcfcfc}.rst-versions .rst-current-version .fa-book,.rst-versions .rst-current-version .icon-book{float:left}.rst-versions .rst-current-version.rst-out-of-date{background-color:#e74c3c;color:#fff}.rst-versions .rst-current-version.rst-active-old-version{background-color:#f1c40f;color:#000}.rst-versions.shift-up{height:auto;max-height:100%;overflow-y:scroll}.rst-versions.shift-up .rst-other-versions{display:block}.rst-versions .rst-other-versions{font-size:90%;padding:12px;color:grey;display:none}.rst-versions .rst-other-versions hr{display:block;height:1px;border:0;margin:20px 0;padding:0;border-top:1px solid #413d3d}.rst-versions .rst-other-versions dd{display:inline-block;margin:0}.rst-versions .rst-other-versions dd a{display:inline-block;padding:6px;color:#fcfcfc}.rst-versions .rst-other-versions .rtd-current-item{font-weight:700}.rst-versions.rst-badge{width:auto;bottom:20px;right:20px;left:auto;border:none;max-width:300px;max-height:90%}.rst-versions.rst-badge .fa-book,.rst-versions.rst-badge .icon-book{float:none;line-height:30px}.rst-versions.rst-badge.shift-up .rst-current-version{text-align:right}.rst-versions.rst-badge.shift-up .rst-current-version .fa-book,.rst-versions.rst-badge.shift-up .rst-current-version .icon-book{float:left}.rst-versions.rst-badge>.rst-current-version{width:auto;height:30px;line-height:30px;padding:0 6px;display:block;text-align:center}@media screen and (max-width:768px){.rst-versions{width:85%;display:none}.rst-versions.shift{display:block}}#flyout-search-form{padding:6px}
\ No newline at end of file
diff --git a/docs/cpp/_static/css/theme.css b/docs/cpp/_static/css/theme.css
index 0d9ae7e1..a88467c1 100644
--- a/docs/cpp/_static/css/theme.css
+++ b/docs/cpp/_static/css/theme.css
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diff --git a/docs/cpp/_static/doctools.js b/docs/cpp/_static/doctools.js
index 8cbf1b16..807cdb17 100644
--- a/docs/cpp/_static/doctools.js
+++ b/docs/cpp/_static/doctools.js
@@ -1,323 +1,150 @@
 /*
- * doctools.js
- * ~~~~~~~~~~~
- *
- * Sphinx JavaScript utilities for all documentation.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
+ * Base JavaScript utilities for all Sphinx HTML documentation.
  */
-
-/**
- * select a different prefix for underscore
- */
-$u = _.noConflict();
-
-/**
- * make the code below compatible with browsers without
- * an installed firebug like debugger
-if (!window.console || !console.firebug) {
-  var names = ["log", "debug", "info", "warn", "error", "assert", "dir",
-    "dirxml", "group", "groupEnd", "time", "timeEnd", "count", "trace",
-    "profile", "profileEnd"];
-  window.console = {};
-  for (var i = 0; i < names.length; ++i)
-    window.console[names[i]] = function() {};
-}
- */
-
-/**
- * small helper function to urldecode strings
- *
- * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL
- */
-jQuery.urldecode = function(x) {
-  if (!x) {
-    return x
-  }
-  return decodeURIComponent(x.replace(/\+/g, ' '));
-};
-
-/**
- * small helper function to urlencode strings
- */
-jQuery.urlencode = encodeURIComponent;
-
-/**
- * This function returns the parsed url parameters of the
- * current request. Multiple values per key are supported,
- * it will always return arrays of strings for the value parts.
- */
-jQuery.getQueryParameters = function(s) {
-  if (typeof s === 'undefined')
-    s = document.location.search;
-  var parts = s.substr(s.indexOf('?') + 1).split('&');
-  var result = {};
-  for (var i = 0; i < parts.length; i++) {
-    var tmp = parts[i].split('=', 2);
-    var key = jQuery.urldecode(tmp[0]);
-    var value = jQuery.urldecode(tmp[1]);
-    if (key in result)
-      result[key].push(value);
-    else
-      result[key] = [value];
+"use strict";
+
+const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([
+  "TEXTAREA",
+  "INPUT",
+  "SELECT",
+  "BUTTON",
+]);
+
+const _ready = (callback) => {
+  if (document.readyState !== "loading") {
+    callback();
+  } else {
+    document.addEventListener("DOMContentLoaded", callback);
   }
-  return result;
 };
 
-/**
- * highlight a given string on a jquery object by wrapping it in
- * span elements with the given class name.
- */
-jQuery.fn.highlightText = function(text, className) {
-  function highlight(node, addItems) {
-    if (node.nodeType === 3) {
-      var val = node.nodeValue;
-      var pos = val.toLowerCase().indexOf(text);
-      if (pos >= 0 &&
-          !jQuery(node.parentNode).hasClass(className) &&
-          !jQuery(node.parentNode).hasClass("nohighlight")) {
-        var span;
-        var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg");
-        if (isInSVG) {
-          span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
-        } else {
-          span = document.createElement("span");
-          span.className = className;
-        }
-        span.appendChild(document.createTextNode(val.substr(pos, text.length)));
-        node.parentNode.insertBefore(span, node.parentNode.insertBefore(
-          document.createTextNode(val.substr(pos + text.length)),
-          node.nextSibling));
-        node.nodeValue = val.substr(0, pos);
-        if (isInSVG) {
-          var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect");
-          var bbox = node.parentElement.getBBox();
-          rect.x.baseVal.value = bbox.x;
-          rect.y.baseVal.value = bbox.y;
-          rect.width.baseVal.value = bbox.width;
-          rect.height.baseVal.value = bbox.height;
-          rect.setAttribute('class', className);
-          addItems.push({
-              "parent": node.parentNode,
-              "target": rect});
-        }
-      }
-    }
-    else if (!jQuery(node).is("button, select, textarea")) {
-      jQuery.each(node.childNodes, function() {
-        highlight(this, addItems);
-      });
-    }
-  }
-  var addItems = [];
-  var result = this.each(function() {
-    highlight(this, addItems);
-  });
-  for (var i = 0; i < addItems.length; ++i) {
-    jQuery(addItems[i].parent).before(addItems[i].target);
-  }
-  return result;
-};
-
-/*
- * backward compatibility for jQuery.browser
- * This will be supported until firefox bug is fixed.
- */
-if (!jQuery.browser) {
-  jQuery.uaMatch = function(ua) {
-    ua = ua.toLowerCase();
-
-    var match = /(chrome)[ \/]([\w.]+)/.exec(ua) ||
-      /(webkit)[ \/]([\w.]+)/.exec(ua) ||
-      /(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) ||
-      /(msie) ([\w.]+)/.exec(ua) ||
-      ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) ||
-      [];
-
-    return {
-      browser: match[ 1 ] || "",
-      version: match[ 2 ] || "0"
-    };
-  };
-  jQuery.browser = {};
-  jQuery.browser[jQuery.uaMatch(navigator.userAgent).browser] = true;
-}
-
 /**
  * Small JavaScript module for the documentation.
  */
-var Documentation = {
-
-  init : function() {
-    this.fixFirefoxAnchorBug();
-    this.highlightSearchWords();
-    this.initIndexTable();
-    if (DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) {
-      this.initOnKeyListeners();
-    }
+const Documentation = {
+  init: () => {
+    Documentation.initDomainIndexTable();
+    Documentation.initOnKeyListeners();
   },
 
   /**
    * i18n support
    */
-  TRANSLATIONS : {},
-  PLURAL_EXPR : function(n) { return n === 1 ? 0 : 1; },
-  LOCALE : 'unknown',
+  TRANSLATIONS: {},
+  PLURAL_EXPR: (n) => (n === 1 ? 0 : 1),
+  LOCALE: "unknown",
 
   // gettext and ngettext don't access this so that the functions
   // can safely bound to a different name (_ = Documentation.gettext)
-  gettext : function(string) {
-    var translated = Documentation.TRANSLATIONS[string];
-    if (typeof translated === 'undefined')
-      return string;
-    return (typeof translated === 'string') ? translated : translated[0];
-  },
-
-  ngettext : function(singular, plural, n) {
-    var translated = Documentation.TRANSLATIONS[singular];
-    if (typeof translated === 'undefined')
-      return (n == 1) ? singular : plural;
-    return translated[Documentation.PLURALEXPR(n)];
+  gettext: (string) => {
+    const translated = Documentation.TRANSLATIONS[string];
+    switch (typeof translated) {
+      case "undefined":
+        return string; // no translation
+      case "string":
+        return translated; // translation exists
+      default:
+        return translated[0]; // (singular, plural) translation tuple exists
+    }
   },
 
-  addTranslations : function(catalog) {
-    for (var key in catalog.messages)
-      this.TRANSLATIONS[key] = catalog.messages[key];
-    this.PLURAL_EXPR = new Function('n', 'return +(' + catalog.plural_expr + ')');
-    this.LOCALE = catalog.locale;
+  ngettext: (singular, plural, n) => {
+    const translated = Documentation.TRANSLATIONS[singular];
+    if (typeof translated !== "undefined")
+      return translated[Documentation.PLURAL_EXPR(n)];
+    return n === 1 ? singular : plural;
   },
 
-  /**
-   * add context elements like header anchor links
-   */
-  addContextElements : function() {
-    $('div[id] > :header:first').each(function() {
-      $('<a class="headerlink">\u00B6</a>').
-      attr('href', '#' + this.id).
-      attr('title', _('Permalink to this headline')).
-      appendTo(this);
-    });
-    $('dt[id]').each(function() {
-      $('<a class="headerlink">\u00B6</a>').
-      attr('href', '#' + this.id).
-      attr('title', _('Permalink to this definition')).
-      appendTo(this);
-    });
+  addTranslations: (catalog) => {
+    Object.assign(Documentation.TRANSLATIONS, catalog.messages);
+    Documentation.PLURAL_EXPR = new Function(
+      "n",
+      `return (${catalog.plural_expr})`,
+    );
+    Documentation.LOCALE = catalog.locale;
   },
 
   /**
-   * workaround a firefox stupidity
-   * see: https://bugzilla.mozilla.org/show_bug.cgi?id=645075
+   * helper function to focus on search bar
    */
-  fixFirefoxAnchorBug : function() {
-    if (document.location.hash && $.browser.mozilla)
-      window.setTimeout(function() {
-        document.location.href += '';
-      }, 10);
+  focusSearchBar: () => {
+    document.querySelectorAll("input[name=q]")[0]?.focus();
   },
 
   /**
-   * highlight the search words provided in the url in the text
+   * Initialise the domain index toggle buttons
    */
-  highlightSearchWords : function() {
-    var params = $.getQueryParameters();
-    var terms = (params.highlight) ? params.highlight[0].split(/\s+/) : [];
-    if (terms.length) {
-      var body = $('div.body');
-      if (!body.length) {
-        body = $('body');
+  initDomainIndexTable: () => {
+    const toggler = (el) => {
+      const idNumber = el.id.substr(7);
+      const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`);
+      if (el.src.substr(-9) === "minus.png") {
+        el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`;
+        toggledRows.forEach((el) => (el.style.display = "none"));
+      } else {
+        el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`;
+        toggledRows.forEach((el) => (el.style.display = ""));
       }
-      window.setTimeout(function() {
-        $.each(terms, function() {
-          body.highlightText(this.toLowerCase(), 'highlighted');
-        });
-      }, 10);
-      $('<p class="highlight-link"><a href="javascript:Documentation.' +
-        'hideSearchWords()">' + _('Hide Search Matches') + '</a></p>')
-          .appendTo($('#searchbox'));
-    }
-  },
-
-  /**
-   * init the domain index toggle buttons
-   */
-  initIndexTable : function() {
-    var togglers = $('img.toggler').click(function() {
-      var src = $(this).attr('src');
-      var idnum = $(this).attr('id').substr(7);
-      $('tr.cg-' + idnum).toggle();
-      if (src.substr(-9) === 'minus.png')
-        $(this).attr('src', src.substr(0, src.length-9) + 'plus.png');
-      else
-        $(this).attr('src', src.substr(0, src.length-8) + 'minus.png');
-    }).css('display', '');
-    if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) {
-        togglers.click();
-    }
-  },
-
-  /**
-   * helper function to hide the search marks again
-   */
-  hideSearchWords : function() {
-    $('#searchbox .highlight-link').fadeOut(300);
-    $('span.highlighted').removeClass('highlighted');
-  },
-
-  /**
-   * make the url absolute
-   */
-  makeURL : function(relativeURL) {
-    return DOCUMENTATION_OPTIONS.URL_ROOT + '/' + relativeURL;
-  },
+    };
 
-  /**
-   * get the current relative url
-   */
-  getCurrentURL : function() {
-    var path = document.location.pathname;
-    var parts = path.split(/\//);
-    $.each(DOCUMENTATION_OPTIONS.URL_ROOT.split(/\//), function() {
-      if (this === '..')
-        parts.pop();
-    });
-    var url = parts.join('/');
-    return path.substring(url.lastIndexOf('/') + 1, path.length - 1);
+    const togglerElements = document.querySelectorAll("img.toggler");
+    togglerElements.forEach((el) =>
+      el.addEventListener("click", (event) => toggler(event.currentTarget)),
+    );
+    togglerElements.forEach((el) => (el.style.display = ""));
+    if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler);
   },
 
-  initOnKeyListeners: function() {
-    $(document).keydown(function(event) {
-      var activeElementType = document.activeElement.tagName;
-      // don't navigate when in search box, textarea, dropdown or button
-      if (activeElementType !== 'TEXTAREA' && activeElementType !== 'INPUT' && activeElementType !== 'SELECT'
-          && activeElementType !== 'BUTTON' && !event.altKey && !event.ctrlKey && !event.metaKey
-          && !event.shiftKey) {
-        switch (event.keyCode) {
-          case 37: // left
-            var prevHref = $('link[rel="prev"]').prop('href');
-            if (prevHref) {
-              window.location.href = prevHref;
-              return false;
+  initOnKeyListeners: () => {
+    // only install a listener if it is really needed
+    if (
+      !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS
+      && !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS
+    )
+      return;
+
+    document.addEventListener("keydown", (event) => {
+      // bail for input elements
+      if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName))
+        return;
+      // bail with special keys
+      if (event.altKey || event.ctrlKey || event.metaKey) return;
+
+      if (!event.shiftKey) {
+        switch (event.key) {
+          case "ArrowLeft":
+            if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break;
+
+            const prevLink = document.querySelector('link[rel="prev"]');
+            if (prevLink && prevLink.href) {
+              window.location.href = prevLink.href;
+              event.preventDefault();
             }
             break;
-          case 39: // right
-            var nextHref = $('link[rel="next"]').prop('href');
-            if (nextHref) {
-              window.location.href = nextHref;
-              return false;
+          case "ArrowRight":
+            if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break;
+
+            const nextLink = document.querySelector('link[rel="next"]');
+            if (nextLink && nextLink.href) {
+              window.location.href = nextLink.href;
+              event.preventDefault();
             }
             break;
         }
       }
+
+      // some keyboard layouts may need Shift to get /
+      switch (event.key) {
+        case "/":
+          if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break;
+          Documentation.focusSearchBar();
+          event.preventDefault();
+      }
     });
-  }
+  },
 };
 
 // quick alias for translations
-_ = Documentation.gettext;
+const _ = Documentation.gettext;
 
-$(document).ready(function() {
-  Documentation.init();
-});
+_ready(Documentation.init);
diff --git a/docs/cpp/_static/documentation_options.js b/docs/cpp/_static/documentation_options.js
index 2fa8c97f..7e4c114f 100644
--- a/docs/cpp/_static/documentation_options.js
+++ b/docs/cpp/_static/documentation_options.js
@@ -1,12 +1,13 @@
-var DOCUMENTATION_OPTIONS = {
-    URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
+const DOCUMENTATION_OPTIONS = {
     VERSION: '',
-    LANGUAGE: 'None',
+    LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
     FILE_SUFFIX: '.html',
     LINK_SUFFIX: '.html',
     HAS_SOURCE: true,
     SOURCELINK_SUFFIX: '.txt',
-    NAVIGATION_WITH_KEYS: false
+    NAVIGATION_WITH_KEYS: false,
+    SHOW_SEARCH_SUMMARY: true,
+    ENABLE_SEARCH_SHORTCUTS: true,
 };
\ No newline at end of file
diff --git a/docs/cpp/_static/english-stemmer.js b/docs/cpp/_static/english-stemmer.js
new file mode 100644
index 00000000..056760ee
--- /dev/null
+++ b/docs/cpp/_static/english-stemmer.js
@@ -0,0 +1,1066 @@
+// Generated from english.sbl by Snowball 3.0.1 - https://snowballstem.org/
+
+/**@constructor*/
+var EnglishStemmer = function() {
+    var base = new BaseStemmer();
+
+    /** @const */ var a_0 = [
+        ["arsen", -1, -1],
+        ["commun", -1, -1],
+        ["emerg", -1, -1],
+        ["gener", -1, -1],
+        ["later", -1, -1],
+        ["organ", -1, -1],
+        ["past", -1, -1],
+        ["univers", -1, -1]
+    ];
+
+    /** @const */ var a_1 = [
+        ["'", -1, 1],
+        ["'s'", 0, 1],
+        ["'s", -1, 1]
+    ];
+
+    /** @const */ var a_2 = [
+        ["ied", -1, 2],
+        ["s", -1, 3],
+        ["ies", 1, 2],
+        ["sses", 1, 1],
+        ["ss", 1, -1],
+        ["us", 1, -1]
+    ];
+
+    /** @const */ var a_3 = [
+        ["succ", -1, 1],
+        ["proc", -1, 1],
+        ["exc", -1, 1]
+    ];
+
+    /** @const */ var a_4 = [
+        ["even", -1, 2],
+        ["cann", -1, 2],
+        ["inn", -1, 2],
+        ["earr", -1, 2],
+        ["herr", -1, 2],
+        ["out", -1, 2],
+        ["y", -1, 1]
+    ];
+
+    /** @const */ var a_5 = [
+        ["", -1, -1],
+        ["ed", 0, 2],
+        ["eed", 1, 1],
+        ["ing", 0, 3],
+        ["edly", 0, 2],
+        ["eedly", 4, 1],
+        ["ingly", 0, 2]
+    ];
+
+    /** @const */ var a_6 = [
+        ["", -1, 3],
+        ["bb", 0, 2],
+        ["dd", 0, 2],
+        ["ff", 0, 2],
+        ["gg", 0, 2],
+        ["bl", 0, 1],
+        ["mm", 0, 2],
+        ["nn", 0, 2],
+        ["pp", 0, 2],
+        ["rr", 0, 2],
+        ["at", 0, 1],
+        ["tt", 0, 2],
+        ["iz", 0, 1]
+    ];
+
+    /** @const */ var a_7 = [
+        ["anci", -1, 3],
+        ["enci", -1, 2],
+        ["ogi", -1, 14],
+        ["li", -1, 16],
+        ["bli", 3, 12],
+        ["abli", 4, 4],
+        ["alli", 3, 8],
+        ["fulli", 3, 9],
+        ["lessli", 3, 15],
+        ["ousli", 3, 10],
+        ["entli", 3, 5],
+        ["aliti", -1, 8],
+        ["biliti", -1, 12],
+        ["iviti", -1, 11],
+        ["tional", -1, 1],
+        ["ational", 14, 7],
+        ["alism", -1, 8],
+        ["ation", -1, 7],
+        ["ization", 17, 6],
+        ["izer", -1, 6],
+        ["ator", -1, 7],
+        ["iveness", -1, 11],
+        ["fulness", -1, 9],
+        ["ousness", -1, 10],
+        ["ogist", -1, 13]
+    ];
+
+    /** @const */ var a_8 = [
+        ["icate", -1, 4],
+        ["ative", -1, 6],
+        ["alize", -1, 3],
+        ["iciti", -1, 4],
+        ["ical", -1, 4],
+        ["tional", -1, 1],
+        ["ational", 5, 2],
+        ["ful", -1, 5],
+        ["ness", -1, 5]
+    ];
+
+    /** @const */ var a_9 = [
+        ["ic", -1, 1],
+        ["ance", -1, 1],
+        ["ence", -1, 1],
+        ["able", -1, 1],
+        ["ible", -1, 1],
+        ["ate", -1, 1],
+        ["ive", -1, 1],
+        ["ize", -1, 1],
+        ["iti", -1, 1],
+        ["al", -1, 1],
+        ["ism", -1, 1],
+        ["ion", -1, 2],
+        ["er", -1, 1],
+        ["ous", -1, 1],
+        ["ant", -1, 1],
+        ["ent", -1, 1],
+        ["ment", 15, 1],
+        ["ement", 16, 1]
+    ];
+
+    /** @const */ var a_10 = [
+        ["e", -1, 1],
+        ["l", -1, 2]
+    ];
+
+    /** @const */ var a_11 = [
+        ["andes", -1, -1],
+        ["atlas", -1, -1],
+        ["bias", -1, -1],
+        ["cosmos", -1, -1],
+        ["early", -1, 5],
+        ["gently", -1, 3],
+        ["howe", -1, -1],
+        ["idly", -1, 2],
+        ["news", -1, -1],
+        ["only", -1, 6],
+        ["singly", -1, 7],
+        ["skies", -1, 1],
+        ["sky", -1, -1],
+        ["ugly", -1, 4]
+    ];
+
+    /** @const */ var /** Array<int> */ g_aeo = [17, 64];
+
+    /** @const */ var /** Array<int> */ g_v = [17, 65, 16, 1];
+
+    /** @const */ var /** Array<int> */ g_v_WXY = [1, 17, 65, 208, 1];
+
+    /** @const */ var /** Array<int> */ g_valid_LI = [55, 141, 2];
+
+    var /** boolean */ B_Y_found = false;
+    var /** number */ I_p2 = 0;
+    var /** number */ I_p1 = 0;
+
+
+    /** @return {boolean} */
+    function r_prelude() {
+        B_Y_found = false;
+        /** @const */ var /** number */ v_1 = base.cursor;
+        lab0: {
+            base.bra = base.cursor;
+            if (!(base.eq_s("'")))
+            {
+                break lab0;
+            }
+            base.ket = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        base.cursor = v_1;
+        /** @const */ var /** number */ v_2 = base.cursor;
+        lab1: {
+            base.bra = base.cursor;
+            if (!(base.eq_s("y")))
+            {
+                break lab1;
+            }
+            base.ket = base.cursor;
+            if (!base.slice_from("Y"))
+            {
+                return false;
+            }
+            B_Y_found = true;
+        }
+        base.cursor = v_2;
+        /** @const */ var /** number */ v_3 = base.cursor;
+        lab2: {
+            while(true)
+            {
+                /** @const */ var /** number */ v_4 = base.cursor;
+                lab3: {
+                    golab4: while(true)
+                    {
+                        /** @const */ var /** number */ v_5 = base.cursor;
+                        lab5: {
+                            if (!(base.in_grouping(g_v, 97, 121)))
+                            {
+                                break lab5;
+                            }
+                            base.bra = base.cursor;
+                            if (!(base.eq_s("y")))
+                            {
+                                break lab5;
+                            }
+                            base.ket = base.cursor;
+                            base.cursor = v_5;
+                            break golab4;
+                        }
+                        base.cursor = v_5;
+                        if (base.cursor >= base.limit)
+                        {
+                            break lab3;
+                        }
+                        base.cursor++;
+                    }
+                    if (!base.slice_from("Y"))
+                    {
+                        return false;
+                    }
+                    B_Y_found = true;
+                    continue;
+                }
+                base.cursor = v_4;
+                break;
+            }
+        }
+        base.cursor = v_3;
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_mark_regions() {
+        I_p1 = base.limit;
+        I_p2 = base.limit;
+        /** @const */ var /** number */ v_1 = base.cursor;
+        lab0: {
+            lab1: {
+                /** @const */ var /** number */ v_2 = base.cursor;
+                lab2: {
+                    if (base.find_among(a_0) == 0)
+                    {
+                        break lab2;
+                    }
+                    break lab1;
+                }
+                base.cursor = v_2;
+                if (!base.go_out_grouping(g_v, 97, 121))
+                {
+                    break lab0;
+                }
+                base.cursor++;
+                if (!base.go_in_grouping(g_v, 97, 121))
+                {
+                    break lab0;
+                }
+                base.cursor++;
+            }
+            I_p1 = base.cursor;
+            if (!base.go_out_grouping(g_v, 97, 121))
+            {
+                break lab0;
+            }
+            base.cursor++;
+            if (!base.go_in_grouping(g_v, 97, 121))
+            {
+                break lab0;
+            }
+            base.cursor++;
+            I_p2 = base.cursor;
+        }
+        base.cursor = v_1;
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_shortv() {
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                if (!(base.out_grouping_b(g_v_WXY, 89, 121)))
+                {
+                    break lab1;
+                }
+                if (!(base.in_grouping_b(g_v, 97, 121)))
+                {
+                    break lab1;
+                }
+                if (!(base.out_grouping_b(g_v, 97, 121)))
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            lab2: {
+                if (!(base.out_grouping_b(g_v, 97, 121)))
+                {
+                    break lab2;
+                }
+                if (!(base.in_grouping_b(g_v, 97, 121)))
+                {
+                    break lab2;
+                }
+                if (base.cursor > base.limit_backward)
+                {
+                    break lab2;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            if (!(base.eq_s_b("past")))
+            {
+                return false;
+            }
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_R1() {
+        return I_p1 <= base.cursor;
+    };
+
+    /** @return {boolean} */
+    function r_R2() {
+        return I_p2 <= base.cursor;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1a() {
+        var /** number */ among_var;
+        /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+        lab0: {
+            base.ket = base.cursor;
+            if (base.find_among_b(a_1) == 0)
+            {
+                base.cursor = base.limit - v_1;
+                break lab0;
+            }
+            base.bra = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_2);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("ss"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                lab1: {
+                    /** @const */ var /** number */ v_2 = base.limit - base.cursor;
+                    lab2: {
+                        {
+                            /** @const */ var /** number */ c1 = base.cursor - 2;
+                            if (c1 < base.limit_backward)
+                            {
+                                break lab2;
+                            }
+                            base.cursor = c1;
+                        }
+                        if (!base.slice_from("i"))
+                        {
+                            return false;
+                        }
+                        break lab1;
+                    }
+                    base.cursor = base.limit - v_2;
+                    if (!base.slice_from("ie"))
+                    {
+                        return false;
+                    }
+                }
+                break;
+            case 3:
+                if (base.cursor <= base.limit_backward)
+                {
+                    return false;
+                }
+                base.cursor--;
+                if (!base.go_out_grouping_b(g_v, 97, 121))
+                {
+                    return false;
+                }
+                base.cursor--;
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1b() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_5);
+        base.bra = base.cursor;
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                switch (among_var) {
+                    case 1:
+                        /** @const */ var /** number */ v_2 = base.limit - base.cursor;
+                        lab2: {
+                            lab3: {
+                                /** @const */ var /** number */ v_3 = base.limit - base.cursor;
+                                lab4: {
+                                    if (base.find_among_b(a_3) == 0)
+                                    {
+                                        break lab4;
+                                    }
+                                    if (base.cursor > base.limit_backward)
+                                    {
+                                        break lab4;
+                                    }
+                                    break lab3;
+                                }
+                                base.cursor = base.limit - v_3;
+                                if (!r_R1())
+                                {
+                                    break lab2;
+                                }
+                                if (!base.slice_from("ee"))
+                                {
+                                    return false;
+                                }
+                            }
+                        }
+                        base.cursor = base.limit - v_2;
+                        break;
+                    case 2:
+                        break lab1;
+                    case 3:
+                        among_var = base.find_among_b(a_4);
+                        if (among_var == 0)
+                        {
+                            break lab1;
+                        }
+                        switch (among_var) {
+                            case 1:
+                                /** @const */ var /** number */ v_4 = base.limit - base.cursor;
+                                if (!(base.out_grouping_b(g_v, 97, 121)))
+                                {
+                                    break lab1;
+                                }
+                                if (base.cursor > base.limit_backward)
+                                {
+                                    break lab1;
+                                }
+                                base.cursor = base.limit - v_4;
+                                base.bra = base.cursor;
+                                if (!base.slice_from("ie"))
+                                {
+                                    return false;
+                                }
+                                break;
+                            case 2:
+                                if (base.cursor > base.limit_backward)
+                                {
+                                    break lab1;
+                                }
+                                break;
+                        }
+                        break;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            /** @const */ var /** number */ v_5 = base.limit - base.cursor;
+            if (!base.go_out_grouping_b(g_v, 97, 121))
+            {
+                return false;
+            }
+            base.cursor--;
+            base.cursor = base.limit - v_5;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+            base.ket = base.cursor;
+            base.bra = base.cursor;
+            /** @const */ var /** number */ v_6 = base.limit - base.cursor;
+            among_var = base.find_among_b(a_6);
+            switch (among_var) {
+                case 1:
+                    if (!base.slice_from("e"))
+                    {
+                        return false;
+                    }
+                    return false;
+                case 2:
+                    {
+                        /** @const */ var /** number */ v_7 = base.limit - base.cursor;
+                        lab5: {
+                            if (!(base.in_grouping_b(g_aeo, 97, 111)))
+                            {
+                                break lab5;
+                            }
+                            if (base.cursor > base.limit_backward)
+                            {
+                                break lab5;
+                            }
+                            return false;
+                        }
+                        base.cursor = base.limit - v_7;
+                    }
+                    break;
+                case 3:
+                    if (base.cursor != I_p1)
+                    {
+                        return false;
+                    }
+                    /** @const */ var /** number */ v_8 = base.limit - base.cursor;
+                    if (!r_shortv())
+                    {
+                        return false;
+                    }
+                    base.cursor = base.limit - v_8;
+                    if (!base.slice_from("e"))
+                    {
+                        return false;
+                    }
+                    return false;
+            }
+            base.cursor = base.limit - v_6;
+            base.ket = base.cursor;
+            if (base.cursor <= base.limit_backward)
+            {
+                return false;
+            }
+            base.cursor--;
+            base.bra = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1c() {
+        base.ket = base.cursor;
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                if (!(base.eq_s_b("y")))
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            if (!(base.eq_s_b("Y")))
+            {
+                return false;
+            }
+        }
+        base.bra = base.cursor;
+        if (!(base.out_grouping_b(g_v, 97, 121)))
+        {
+            return false;
+        }
+        lab2: {
+            if (base.cursor > base.limit_backward)
+            {
+                break lab2;
+            }
+            return false;
+        }
+        if (!base.slice_from("i"))
+        {
+            return false;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_2() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_7);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R1())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("tion"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("ence"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("ance"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("able"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_from("ent"))
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!base.slice_from("ize"))
+                {
+                    return false;
+                }
+                break;
+            case 7:
+                if (!base.slice_from("ate"))
+                {
+                    return false;
+                }
+                break;
+            case 8:
+                if (!base.slice_from("al"))
+                {
+                    return false;
+                }
+                break;
+            case 9:
+                if (!base.slice_from("ful"))
+                {
+                    return false;
+                }
+                break;
+            case 10:
+                if (!base.slice_from("ous"))
+                {
+                    return false;
+                }
+                break;
+            case 11:
+                if (!base.slice_from("ive"))
+                {
+                    return false;
+                }
+                break;
+            case 12:
+                if (!base.slice_from("ble"))
+                {
+                    return false;
+                }
+                break;
+            case 13:
+                if (!base.slice_from("og"))
+                {
+                    return false;
+                }
+                break;
+            case 14:
+                if (!(base.eq_s_b("l")))
+                {
+                    return false;
+                }
+                if (!base.slice_from("og"))
+                {
+                    return false;
+                }
+                break;
+            case 15:
+                if (!base.slice_from("less"))
+                {
+                    return false;
+                }
+                break;
+            case 16:
+                if (!(base.in_grouping_b(g_valid_LI, 99, 116)))
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_3() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_8);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R1())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("tion"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("ate"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("al"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("ic"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!r_R2())
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_4() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_9);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R2())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                lab0: {
+                    /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+                    lab1: {
+                        if (!(base.eq_s_b("s")))
+                        {
+                            break lab1;
+                        }
+                        break lab0;
+                    }
+                    base.cursor = base.limit - v_1;
+                    if (!(base.eq_s_b("t")))
+                    {
+                        return false;
+                    }
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_5() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_10);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        switch (among_var) {
+            case 1:
+                lab0: {
+                    lab1: {
+                        if (!r_R2())
+                        {
+                            break lab1;
+                        }
+                        break lab0;
+                    }
+                    if (!r_R1())
+                    {
+                        return false;
+                    }
+                    {
+                        /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+                        lab2: {
+                            if (!r_shortv())
+                            {
+                                break lab2;
+                            }
+                            return false;
+                        }
+                        base.cursor = base.limit - v_1;
+                    }
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!r_R2())
+                {
+                    return false;
+                }
+                if (!(base.eq_s_b("l")))
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_exception1() {
+        var /** number */ among_var;
+        base.bra = base.cursor;
+        among_var = base.find_among(a_11);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.ket = base.cursor;
+        if (base.cursor < base.limit)
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("sky"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("idl"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("gentl"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("ugli"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_from("earli"))
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!base.slice_from("onli"))
+                {
+                    return false;
+                }
+                break;
+            case 7:
+                if (!base.slice_from("singl"))
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_postlude() {
+        if (!B_Y_found)
+        {
+            return false;
+        }
+        while(true)
+        {
+            /** @const */ var /** number */ v_1 = base.cursor;
+            lab0: {
+                golab1: while(true)
+                {
+                    /** @const */ var /** number */ v_2 = base.cursor;
+                    lab2: {
+                        base.bra = base.cursor;
+                        if (!(base.eq_s("Y")))
+                        {
+                            break lab2;
+                        }
+                        base.ket = base.cursor;
+                        base.cursor = v_2;
+                        break golab1;
+                    }
+                    base.cursor = v_2;
+                    if (base.cursor >= base.limit)
+                    {
+                        break lab0;
+                    }
+                    base.cursor++;
+                }
+                if (!base.slice_from("y"))
+                {
+                    return false;
+                }
+                continue;
+            }
+            base.cursor = v_1;
+            break;
+        }
+        return true;
+    };
+
+    this.stem = /** @return {boolean} */ function() {
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.cursor;
+            lab1: {
+                if (!r_exception1())
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = v_1;
+            lab2: {
+                {
+                    /** @const */ var /** number */ v_2 = base.cursor;
+                    lab3: {
+                        {
+                            /** @const */ var /** number */ c1 = base.cursor + 3;
+                            if (c1 > base.limit)
+                            {
+                                break lab3;
+                            }
+                            base.cursor = c1;
+                        }
+                        break lab2;
+                    }
+                    base.cursor = v_2;
+                }
+                break lab0;
+            }
+            base.cursor = v_1;
+            r_prelude();
+            r_mark_regions();
+            base.limit_backward = base.cursor; base.cursor = base.limit;
+            /** @const */ var /** number */ v_3 = base.limit - base.cursor;
+            r_Step_1a();
+            base.cursor = base.limit - v_3;
+            /** @const */ var /** number */ v_4 = base.limit - base.cursor;
+            r_Step_1b();
+            base.cursor = base.limit - v_4;
+            /** @const */ var /** number */ v_5 = base.limit - base.cursor;
+            r_Step_1c();
+            base.cursor = base.limit - v_5;
+            /** @const */ var /** number */ v_6 = base.limit - base.cursor;
+            r_Step_2();
+            base.cursor = base.limit - v_6;
+            /** @const */ var /** number */ v_7 = base.limit - base.cursor;
+            r_Step_3();
+            base.cursor = base.limit - v_7;
+            /** @const */ var /** number */ v_8 = base.limit - base.cursor;
+            r_Step_4();
+            base.cursor = base.limit - v_8;
+            /** @const */ var /** number */ v_9 = base.limit - base.cursor;
+            r_Step_5();
+            base.cursor = base.limit - v_9;
+            base.cursor = base.limit_backward;
+            /** @const */ var /** number */ v_10 = base.cursor;
+            r_postlude();
+            base.cursor = v_10;
+        }
+        return true;
+    };
+
+    /**@return{string}*/
+    this['stemWord'] = function(/**string*/word) {
+        base.setCurrent(word);
+        this.stem();
+        return base.getCurrent();
+    };
+};
diff --git a/docs/cpp/_static/jquery.js b/docs/cpp/_static/jquery.js
index b0614034..c4c6022f 100644
--- a/docs/cpp/_static/jquery.js
+++ b/docs/cpp/_static/jquery.js
@@ -1,2 +1,2 @@
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diff --git a/docs/cpp/_static/js/versions.js b/docs/cpp/_static/js/versions.js
new file mode 100644
index 00000000..4958195e
--- /dev/null
+++ b/docs/cpp/_static/js/versions.js
@@ -0,0 +1,228 @@
+const themeFlyoutDisplay = "hidden";
+const themeVersionSelector = true;
+const themeLanguageSelector = true;
+
+if (themeFlyoutDisplay === "attached") {
+  function renderLanguages(config) {
+    if (!config.projects.translations.length) {
+      return "";
+    }
+
+    // Insert the current language to the options on the selector
+    let languages = config.projects.translations.concat(config.projects.current);
+    languages = languages.sort((a, b) => a.language.name.localeCompare(b.language.name));
+
+    const languagesHTML = `
+      <dl>
+        <dt>Languages</dt>
+        ${languages
+          .map(
+            (translation) => `
+        <dd ${translation.slug == config.projects.current.slug ? 'class="rtd-current-item"' : ""}>
+          <a href="${translation.urls.documentation}">${translation.language.code}</a>
+        </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return languagesHTML;
+  }
+
+  function renderVersions(config) {
+    if (!config.versions.active.length) {
+      return "";
+    }
+    const versionsHTML = `
+      <dl>
+        <dt>Versions</dt>
+        ${config.versions.active
+          .map(
+            (version) => `
+        <dd ${version.slug === config.versions.current.slug ? 'class="rtd-current-item"' : ""}>
+          <a href="${version.urls.documentation}">${version.slug}</a>
+        </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return versionsHTML;
+  }
+
+  function renderDownloads(config) {
+    if (!Object.keys(config.versions.current.downloads).length) {
+      return "";
+    }
+    const downloadsNameDisplay = {
+      pdf: "PDF",
+      epub: "Epub",
+      htmlzip: "HTML",
+    };
+
+    const downloadsHTML = `
+      <dl>
+        <dt>Downloads</dt>
+        ${Object.entries(config.versions.current.downloads)
+          .map(
+            ([name, url]) => `
+          <dd>
+            <a href="${url}">${downloadsNameDisplay[name]}</a>
+          </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return downloadsHTML;
+  }
+
+  document.addEventListener("readthedocs-addons-data-ready", function (event) {
+    const config = event.detail.data();
+
+    const flyout = `
+      <div class="rst-versions" data-toggle="rst-versions" role="note">
+        <span class="rst-current-version" data-toggle="rst-current-version">
+          <span class="fa fa-book"> Read the Docs</span>
+          v: ${config.versions.current.slug}
+          <span class="fa fa-caret-down"></span>
+        </span>
+        <div class="rst-other-versions">
+          <div class="injected">
+            ${renderLanguages(config)}
+            ${renderVersions(config)}
+            ${renderDownloads(config)}
+            <dl>
+              <dt>On Read the Docs</dt>
+              <dd>
+                <a href="${config.projects.current.urls.home}">Project Home</a>
+              </dd>
+              <dd>
+                <a href="${config.projects.current.urls.builds}">Builds</a>
+              </dd>
+              <dd>
+                <a href="${config.projects.current.urls.downloads}">Downloads</a>
+              </dd>
+            </dl>
+            <dl>
+              <dt>Search</dt>
+              <dd>
+                <form id="flyout-search-form">
+                  <input
+                    class="wy-form"
+                    type="text"
+                    name="q"
+                    aria-label="Search docs"
+                    placeholder="Search docs"
+                    />
+                </form>
+              </dd>
+            </dl>
+            <hr />
+            <small>
+              <span>Hosted by <a href="https://about.readthedocs.org/?utm_source=&utm_content=flyout">Read the Docs</a></span>
+            </small>
+          </div>
+        </div>
+    `;
+
+    // Inject the generated flyout into the body HTML element.
+    document.body.insertAdjacentHTML("beforeend", flyout);
+
+    // Trigger the Read the Docs Addons Search modal when clicking on the "Search docs" input from inside the flyout.
+    document
+      .querySelector("#flyout-search-form")
+      .addEventListener("focusin", () => {
+        const event = new CustomEvent("readthedocs-search-show");
+        document.dispatchEvent(event);
+      });
+  })
+}
+
+if (themeLanguageSelector || themeVersionSelector) {
+  function onSelectorSwitch(event) {
+    const option = event.target.selectedIndex;
+    const item = event.target.options[option];
+    window.location.href = item.dataset.url;
+  }
+
+  document.addEventListener("readthedocs-addons-data-ready", function (event) {
+    const config = event.detail.data();
+
+    const versionSwitch = document.querySelector(
+      "div.switch-menus > div.version-switch",
+    );
+    if (themeVersionSelector) {
+      let versions = config.versions.active;
+      if (config.versions.current.hidden || config.versions.current.type === "external") {
+        versions.unshift(config.versions.current);
+      }
+      const versionSelect = `
+    <select>
+      ${versions
+        .map(
+          (version) => `
+        <option
+  value="${version.slug}"
+  ${config.versions.current.slug === version.slug ? 'selected="selected"' : ""}
+              data-url="${version.urls.documentation}">
+              ${version.slug}
+          </option>`,
+        )
+        .join("\n")}
+    </select>
+  `;
+
+      versionSwitch.innerHTML = versionSelect;
+      versionSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+    }
+
+    const languageSwitch = document.querySelector(
+      "div.switch-menus > div.language-switch",
+    );
+
+    if (themeLanguageSelector) {
+      if (config.projects.translations.length) {
+        // Add the current language to the options on the selector
+        let languages = config.projects.translations.concat(
+          config.projects.current,
+        );
+        languages = languages.sort((a, b) =>
+          a.language.name.localeCompare(b.language.name),
+        );
+
+        const languageSelect = `
+      <select>
+        ${languages
+          .map(
+            (language) => `
+              <option
+                  value="${language.language.code}"
+                  ${config.projects.current.slug === language.slug ? 'selected="selected"' : ""}
+                  data-url="${language.urls.documentation}">
+                  ${language.language.name}
+              </option>`,
+          )
+          .join("\n")}
+       </select>
+    `;
+
+        languageSwitch.innerHTML = languageSelect;
+        languageSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+      }
+      else {
+        languageSwitch.remove();
+      }
+    }
+  });
+}
+
+document.addEventListener("readthedocs-addons-data-ready", function (event) {
+  // Trigger the Read the Docs Addons Search modal when clicking on "Search docs" input from the topnav.
+  document
+    .querySelector("[role='search'] input")
+    .addEventListener("focusin", () => {
+      const event = new CustomEvent("readthedocs-search-show");
+      document.dispatchEvent(event);
+    });
+});
\ No newline at end of file
diff --git a/docs/cpp/_static/language_data.js b/docs/cpp/_static/language_data.js
index 863704b3..57767864 100644
--- a/docs/cpp/_static/language_data.js
+++ b/docs/cpp/_static/language_data.js
@@ -1,297 +1,13 @@
 /*
- * language_data.js
- * ~~~~~~~~~~~~~~~~
- *
  * This script contains the language-specific data used by searchtools.js,
- * namely the list of stopwords, stemmer, scorer and splitter.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
+ * namely the set of stopwords, stemmer, scorer and splitter.
  */
 
-var stopwords = ["a","and","are","as","at","be","but","by","for","if","in","into","is","it","near","no","not","of","on","or","such","that","the","their","then","there","these","they","this","to","was","will","with"];
-
-
-/* Non-minified version is copied as a separate JS file, is available */
-
-/**
- * Porter Stemmer
- */
-var Stemmer = function() {
-
-  var step2list = {
-    ational: 'ate',
-    tional: 'tion',
-    enci: 'ence',
-    anci: 'ance',
-    izer: 'ize',
-    bli: 'ble',
-    alli: 'al',
-    entli: 'ent',
-    eli: 'e',
-    ousli: 'ous',
-    ization: 'ize',
-    ation: 'ate',
-    ator: 'ate',
-    alism: 'al',
-    iveness: 'ive',
-    fulness: 'ful',
-    ousness: 'ous',
-    aliti: 'al',
-    iviti: 'ive',
-    biliti: 'ble',
-    logi: 'log'
-  };
-
-  var step3list = {
-    icate: 'ic',
-    ative: '',
-    alize: 'al',
-    iciti: 'ic',
-    ical: 'ic',
-    ful: '',
-    ness: ''
-  };
-
-  var c = "[^aeiou]";          // consonant
-  var v = "[aeiouy]";          // vowel
-  var C = c + "[^aeiouy]*";    // consonant sequence
-  var V = v + "[aeiou]*";      // vowel sequence
-
-  var mgr0 = "^(" + C + ")?" + V + C;                      // [C]VC... is m>0
-  var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$";    // [C]VC[V] is m=1
-  var mgr1 = "^(" + C + ")?" + V + C + V + C;              // [C]VCVC... is m>1
-  var s_v   = "^(" + C + ")?" + v;                         // vowel in stem
-
-  this.stemWord = function (w) {
-    var stem;
-    var suffix;
-    var firstch;
-    var origword = w;
-
-    if (w.length < 3)
-      return w;
-
-    var re;
-    var re2;
-    var re3;
-    var re4;
-
-    firstch = w.substr(0,1);
-    if (firstch == "y")
-      w = firstch.toUpperCase() + w.substr(1);
-
-    // Step 1a
-    re = /^(.+?)(ss|i)es$/;
-    re2 = /^(.+?)([^s])s$/;
-
-    if (re.test(w))
-      w = w.replace(re,"$1$2");
-    else if (re2.test(w))
-      w = w.replace(re2,"$1$2");
-
-    // Step 1b
-    re = /^(.+?)eed$/;
-    re2 = /^(.+?)(ed|ing)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      re = new RegExp(mgr0);
-      if (re.test(fp[1])) {
-        re = /.$/;
-        w = w.replace(re,"");
-      }
-    }
-    else if (re2.test(w)) {
-      var fp = re2.exec(w);
-      stem = fp[1];
-      re2 = new RegExp(s_v);
-      if (re2.test(stem)) {
-        w = stem;
-        re2 = /(at|bl|iz)$/;
-        re3 = new RegExp("([^aeiouylsz])\\1$");
-        re4 = new RegExp("^" + C + v + "[^aeiouwxy]$");
-        if (re2.test(w))
-          w = w + "e";
-        else if (re3.test(w)) {
-          re = /.$/;
-          w = w.replace(re,"");
-        }
-        else if (re4.test(w))
-          w = w + "e";
-      }
-    }
-
-    // Step 1c
-    re = /^(.+?)y$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(s_v);
-      if (re.test(stem))
-        w = stem + "i";
-    }
-
-    // Step 2
-    re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      suffix = fp[2];
-      re = new RegExp(mgr0);
-      if (re.test(stem))
-        w = stem + step2list[suffix];
-    }
-
-    // Step 3
-    re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      suffix = fp[2];
-      re = new RegExp(mgr0);
-      if (re.test(stem))
-        w = stem + step3list[suffix];
-    }
-
-    // Step 4
-    re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/;
-    re2 = /^(.+?)(s|t)(ion)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(mgr1);
-      if (re.test(stem))
-        w = stem;
-    }
-    else if (re2.test(w)) {
-      var fp = re2.exec(w);
-      stem = fp[1] + fp[2];
-      re2 = new RegExp(mgr1);
-      if (re2.test(stem))
-        w = stem;
-    }
-
-    // Step 5
-    re = /^(.+?)e$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(mgr1);
-      re2 = new RegExp(meq1);
-      re3 = new RegExp("^" + C + v + "[^aeiouwxy]$");
-      if (re.test(stem) || (re2.test(stem) && !(re3.test(stem))))
-        w = stem;
-    }
-    re = /ll$/;
-    re2 = new RegExp(mgr1);
-    if (re.test(w) && re2.test(w)) {
-      re = /.$/;
-      w = w.replace(re,"");
-    }
-
-    // and turn initial Y back to y
-    if (firstch == "y")
-      w = firstch.toLowerCase() + w.substr(1);
-    return w;
-  }
-}
-
-
-
-
-var splitChars = (function() {
-    var result = {};
-    var singles = [96, 180, 187, 191, 215, 247, 749, 885, 903, 907, 909, 930, 1014, 1648,
-         1748, 1809, 2416, 2473, 2481, 2526, 2601, 2609, 2612, 2615, 2653, 2702,
-         2706, 2729, 2737, 2740, 2857, 2865, 2868, 2910, 2928, 2948, 2961, 2971,
-         2973, 3085, 3089, 3113, 3124, 3213, 3217, 3241, 3252, 3295, 3341, 3345,
-         3369, 3506, 3516, 3633, 3715, 3721, 3736, 3744, 3748, 3750, 3756, 3761,
-         3781, 3912, 4239, 4347, 4681, 4695, 4697, 4745, 4785, 4799, 4801, 4823,
-         4881, 5760, 5901, 5997, 6313, 7405, 8024, 8026, 8028, 8030, 8117, 8125,
-         8133, 8181, 8468, 8485, 8487, 8489, 8494, 8527, 11311, 11359, 11687, 11695,
-         11703, 11711, 11719, 11727, 11735, 12448, 12539, 43010, 43014, 43019, 43587,
-         43696, 43713, 64286, 64297, 64311, 64317, 64319, 64322, 64325, 65141];
-    var i, j, start, end;
-    for (i = 0; i < singles.length; i++) {
-        result[singles[i]] = true;
-    }
-    var ranges = [[0, 47], [58, 64], [91, 94], [123, 169], [171, 177], [182, 184], [706, 709],
-         [722, 735], [741, 747], [751, 879], [888, 889], [894, 901], [1154, 1161],
-         [1318, 1328], [1367, 1368], [1370, 1376], [1416, 1487], [1515, 1519], [1523, 1568],
-         [1611, 1631], [1642, 1645], [1750, 1764], [1767, 1773], [1789, 1790], [1792, 1807],
-         [1840, 1868], [1958, 1968], [1970, 1983], [2027, 2035], [2038, 2041], [2043, 2047],
-         [2070, 2073], [2075, 2083], [2085, 2087], [2089, 2307], [2362, 2364], [2366, 2383],
-         [2385, 2391], [2402, 2405], [2419, 2424], [2432, 2436], [2445, 2446], [2449, 2450],
-         [2483, 2485], [2490, 2492], [2494, 2509], [2511, 2523], [2530, 2533], [2546, 2547],
-         [2554, 2564], [2571, 2574], [2577, 2578], [2618, 2648], [2655, 2661], [2672, 2673],
-         [2677, 2692], [2746, 2748], [2750, 2767], [2769, 2783], [2786, 2789], [2800, 2820],
-         [2829, 2830], [2833, 2834], [2874, 2876], [2878, 2907], [2914, 2917], [2930, 2946],
-         [2955, 2957], [2966, 2968], [2976, 2978], [2981, 2983], [2987, 2989], [3002, 3023],
-         [3025, 3045], [3059, 3076], [3130, 3132], [3134, 3159], [3162, 3167], [3170, 3173],
-         [3184, 3191], [3199, 3204], [3258, 3260], [3262, 3293], [3298, 3301], [3312, 3332],
-         [3386, 3388], [3390, 3423], [3426, 3429], [3446, 3449], [3456, 3460], [3479, 3481],
-         [3518, 3519], [3527, 3584], [3636, 3647], [3655, 3663], [3674, 3712], [3717, 3718],
-         [3723, 3724], [3726, 3731], [3752, 3753], [3764, 3772], [3774, 3775], [3783, 3791],
-         [3802, 3803], [3806, 3839], [3841, 3871], [3892, 3903], [3949, 3975], [3980, 4095],
-         [4139, 4158], [4170, 4175], [4182, 4185], [4190, 4192], [4194, 4196], [4199, 4205],
-         [4209, 4212], [4226, 4237], [4250, 4255], [4294, 4303], [4349, 4351], [4686, 4687],
-         [4702, 4703], [4750, 4751], [4790, 4791], [4806, 4807], [4886, 4887], [4955, 4968],
-         [4989, 4991], [5008, 5023], [5109, 5120], [5741, 5742], [5787, 5791], [5867, 5869],
-         [5873, 5887], [5906, 5919], [5938, 5951], [5970, 5983], [6001, 6015], [6068, 6102],
-         [6104, 6107], [6109, 6111], [6122, 6127], [6138, 6159], [6170, 6175], [6264, 6271],
-         [6315, 6319], [6390, 6399], [6429, 6469], [6510, 6511], [6517, 6527], [6572, 6592],
-         [6600, 6607], [6619, 6655], [6679, 6687], [6741, 6783], [6794, 6799], [6810, 6822],
-         [6824, 6916], [6964, 6980], [6988, 6991], [7002, 7042], [7073, 7085], [7098, 7167],
-         [7204, 7231], [7242, 7244], [7294, 7400], [7410, 7423], [7616, 7679], [7958, 7959],
-         [7966, 7967], [8006, 8007], [8014, 8015], [8062, 8063], [8127, 8129], [8141, 8143],
-         [8148, 8149], [8156, 8159], [8173, 8177], [8189, 8303], [8306, 8307], [8314, 8318],
-         [8330, 8335], [8341, 8449], [8451, 8454], [8456, 8457], [8470, 8472], [8478, 8483],
-         [8506, 8507], [8512, 8516], [8522, 8525], [8586, 9311], [9372, 9449], [9472, 10101],
-         [10132, 11263], [11493, 11498], [11503, 11516], [11518, 11519], [11558, 11567],
-         [11622, 11630], [11632, 11647], [11671, 11679], [11743, 11822], [11824, 12292],
-         [12296, 12320], [12330, 12336], [12342, 12343], [12349, 12352], [12439, 12444],
-         [12544, 12548], [12590, 12592], [12687, 12689], [12694, 12703], [12728, 12783],
-         [12800, 12831], [12842, 12880], [12896, 12927], [12938, 12976], [12992, 13311],
-         [19894, 19967], [40908, 40959], [42125, 42191], [42238, 42239], [42509, 42511],
-         [42540, 42559], [42592, 42593], [42607, 42622], [42648, 42655], [42736, 42774],
-         [42784, 42785], [42889, 42890], [42893, 43002], [43043, 43055], [43062, 43071],
-         [43124, 43137], [43188, 43215], [43226, 43249], [43256, 43258], [43260, 43263],
-         [43302, 43311], [43335, 43359], [43389, 43395], [43443, 43470], [43482, 43519],
-         [43561, 43583], [43596, 43599], [43610, 43615], [43639, 43641], [43643, 43647],
-         [43698, 43700], [43703, 43704], [43710, 43711], [43715, 43738], [43742, 43967],
-         [44003, 44015], [44026, 44031], [55204, 55215], [55239, 55242], [55292, 55295],
-         [57344, 63743], [64046, 64047], [64110, 64111], [64218, 64255], [64263, 64274],
-         [64280, 64284], [64434, 64466], [64830, 64847], [64912, 64913], [64968, 65007],
-         [65020, 65135], [65277, 65295], [65306, 65312], [65339, 65344], [65371, 65381],
-         [65471, 65473], [65480, 65481], [65488, 65489], [65496, 65497]];
-    for (i = 0; i < ranges.length; i++) {
-        start = ranges[i][0];
-        end = ranges[i][1];
-        for (j = start; j <= end; j++) {
-            result[j] = true;
-        }
-    }
-    return result;
-})();
-
-function splitQuery(query) {
-    var result = [];
-    var start = -1;
-    for (var i = 0; i < query.length; i++) {
-        if (splitChars[query.charCodeAt(i)]) {
-            if (start !== -1) {
-                result.push(query.slice(start, i));
-                start = -1;
-            }
-        } else if (start === -1) {
-            start = i;
-        }
-    }
-    if (start !== -1) {
-        result.push(query.slice(start));
-    }
-    return result;
-}
+const stopwords = new Set(["a", "about", "above", "after", "again", "against", "all", "am", "an", "and", "any", "are", "aren't", "as", "at", "be", "because", "been", "before", "being", "below", "between", "both", "but", "by", "can't", "cannot", "could", "couldn't", "did", "didn't", "do", "does", "doesn't", "doing", "don't", "down", "during", "each", "few", "for", "from", "further", "had", "hadn't", "has", "hasn't", "have", "haven't", "having", "he", "he'd", "he'll", "he's", "her", "here", "here's", "hers", "herself", "him", "himself", "his", "how", "how's", "i", "i'd", "i'll", "i'm", "i've", "if", "in", "into", "is", "isn't", "it", "it's", "its", "itself", "let's", "me", "more", "most", "mustn't", "my", "myself", "no", "nor", "not", "of", "off", "on", "once", "only", "or", "other", "ought", "our", "ours", "ourselves", "out", "over", "own", "same", "shan't", "she", "she'd", "she'll", "she's", "should", "shouldn't", "so", "some", "such", "than", "that", "that's", "the", "their", "theirs", "them", "themselves", "then", "there", "there's", "these", "they", "they'd", "they'll", "they're", "they've", "this", "those", "through", "to", "too", "under", "until", "up", "very", "was", "wasn't", "we", "we'd", "we'll", "we're", "we've", "were", "weren't", "what", "what's", "when", "when's", "where", "where's", "which", "while", "who", "who's", "whom", "why", "why's", "with", "won't", "would", "wouldn't", "you", "you'd", "you'll", "you're", "you've", "your", "yours", "yourself", "yourselves"]);
+window.stopwords = stopwords;  // Export to global scope
 
 
+/* Non-minified versions are copied as separate JavaScript files, if available */
+BaseStemmer=function(){this.current="",this.cursor=0,this.limit=0,this.limit_backward=0,this.bra=0,this.ket=0,this.setCurrent=function(t){this.current=t,this.cursor=0,this.limit=this.current.length,this.limit_backward=0,this.bra=this.cursor,this.ket=this.limit},this.getCurrent=function(){return this.current},this.copy_from=function(t){this.current=t.current,this.cursor=t.cursor,this.limit=t.limit,this.limit_backward=t.limit_backward,this.bra=t.bra,this.ket=t.ket},this.in_grouping=function(t,r,i){return!(this.cursor>=this.limit||i<(i=this.current.charCodeAt(this.cursor))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i))||(this.cursor++,0))},this.go_in_grouping=function(t,r,i){for(;this.cursor<this.limit;){var s=this.current.charCodeAt(this.cursor);if(i<s||s<r)return!0;if(0==(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.in_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward||i<(i=this.current.charCodeAt(this.cursor-1))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i))||(this.cursor--,0))},this.go_in_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(i<s||s<r)return!0;if(0==(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.out_grouping=function(t,r,i){return!(this.cursor>=this.limit)&&(i<(i=this.current.charCodeAt(this.cursor))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i)))&&(this.cursor++,!0)},this.go_out_grouping=function(t,r,i){for(;this.cursor<this.limit;){var s=this.current.charCodeAt(this.cursor);if(s<=i&&r<=s&&0!=(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.out_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward)&&(i<(i=this.current.charCodeAt(this.cursor-1))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i)))&&(this.cursor--,!0)},this.go_out_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(s<=i&&r<=s&&0!=(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.eq_s=function(t){return!(this.limit-this.cursor<t.length||this.current.slice(this.cursor,this.cursor+t.length)!=t||(this.cursor+=t.length,0))},this.eq_s_b=function(t){return!(this.cursor-this.limit_backward<t.length||this.current.slice(this.cursor-t.length,this.cursor)!=t||(this.cursor-=t.length,0))},this.find_among=function(t){for(var r=0,i=t.length,s=this.cursor,h=this.limit,e=0,n=0,c=!1;;){for(var u=r+(i-r>>>1),o=0,a=e<n?e:n,l=t[u],f=a;f<l[0].length;f++){if(s+a==h){o=-1;break}if(0!=(o=this.current.charCodeAt(s+a)-l[0].charCodeAt(f)))break;a++}if(o<0?(i=u,n=a):(r=u,e=a),i-r<=1){if(0<r)break;if(i==r)break;if(c)break;c=!0}}do{if(e>=(l=t[r])[0].length){if(this.cursor=s+l[0].length,l.length<4)return l[2];var g=l[3](this);if(this.cursor=s+l[0].length,g)return l[2]}}while(0<=(r=l[1]));return 0},this.find_among_b=function(t){for(var r=0,i=t.length,s=this.cursor,h=this.limit_backward,e=0,n=0,c=!1;;){for(var u,o=r+(i-r>>1),a=0,l=e<n?e:n,f=(u=t[o])[0].length-1-l;0<=f;f--){if(s-l==h){a=-1;break}if(0!=(a=this.current.charCodeAt(s-1-l)-u[0].charCodeAt(f)))break;l++}if(a<0?(i=o,n=l):(r=o,e=l),i-r<=1){if(0<r)break;if(i==r)break;if(c)break;c=!0}}do{if(e>=(u=t[r])[0].length){if(this.cursor=s-u[0].length,u.length<4)return u[2];var g=u[3](this);if(this.cursor=s-u[0].length,g)return u[2]}}while(0<=(r=u[1]));return 0},this.replace_s=function(t,r,i){var s=i.length-(r-t);return this.current=this.current.slice(0,t)+i+this.current.slice(r),this.limit+=s,this.cursor>=r?this.cursor+=s:this.cursor>t&&(this.cursor=t),s},this.slice_check=function(){return!(this.bra<0||this.bra>this.ket||this.ket>this.limit||this.limit>this.current.length)},this.slice_from=function(t){var r=!1;return this.slice_check()&&(this.replace_s(this.bra,this.ket,t),r=!0),r},this.slice_del=function(){return this.slice_from("")},this.insert=function(t,r,i){r=this.replace_s(t,r,i);t<=this.bra&&(this.bra+=r),t<=this.ket&&(this.ket+=r)},this.slice_to=function(){var t="";return t=this.slice_check()?this.current.slice(this.bra,this.ket):t},this.assign_to=function(){return this.current.slice(0,this.limit)}};
+var EnglishStemmer=function(){var a=new BaseStemmer,c=[["arsen",-1,-1],["commun",-1,-1],["emerg",-1,-1],["gener",-1,-1],["later",-1,-1],["organ",-1,-1],["past",-1,-1],["univers",-1,-1]],o=[["'",-1,1],["'s'",0,1],["'s",-1,1]],u=[["ied",-1,2],["s",-1,3],["ies",1,2],["sses",1,1],["ss",1,-1],["us",1,-1]],t=[["succ",-1,1],["proc",-1,1],["exc",-1,1]],l=[["even",-1,2],["cann",-1,2],["inn",-1,2],["earr",-1,2],["herr",-1,2],["out",-1,2],["y",-1,1]],n=[["",-1,-1],["ed",0,2],["eed",1,1],["ing",0,3],["edly",0,2],["eedly",4,1],["ingly",0,2]],f=[["",-1,3],["bb",0,2],["dd",0,2],["ff",0,2],["gg",0,2],["bl",0,1],["mm",0,2],["nn",0,2],["pp",0,2],["rr",0,2],["at",0,1],["tt",0,2],["iz",0,1]],_=[["anci",-1,3],["enci",-1,2],["ogi",-1,14],["li",-1,16],["bli",3,12],["abli",4,4],["alli",3,8],["fulli",3,9],["lessli",3,15],["ousli",3,10],["entli",3,5],["aliti",-1,8],["biliti",-1,12],["iviti",-1,11],["tional",-1,1],["ational",14,7],["alism",-1,8],["ation",-1,7],["ization",17,6],["izer",-1,6],["ator",-1,7],["iveness",-1,11],["fulness",-1,9],["ousness",-1,10],["ogist",-1,13]],m=[["icate",-1,4],["ative",-1,6],["alize",-1,3],["iciti",-1,4],["ical",-1,4],["tional",-1,1],["ational",5,2],["ful",-1,5],["ness",-1,5]],b=[["ic",-1,1],["ance",-1,1],["ence",-1,1],["able",-1,1],["ible",-1,1],["ate",-1,1],["ive",-1,1],["ize",-1,1],["iti",-1,1],["al",-1,1],["ism",-1,1],["ion",-1,2],["er",-1,1],["ous",-1,1],["ant",-1,1],["ent",-1,1],["ment",15,1],["ement",16,1]],k=[["e",-1,1],["l",-1,2]],g=[["andes",-1,-1],["atlas",-1,-1],["bias",-1,-1],["cosmos",-1,-1],["early",-1,5],["gently",-1,3],["howe",-1,-1],["idly",-1,2],["news",-1,-1],["only",-1,6],["singly",-1,7],["skies",-1,1],["sky",-1,-1],["ugly",-1,4]],d=[17,64],v=[17,65,16,1],i=[1,17,65,208,1],w=[55,141,2],p=!1,y=0,h=0;function q(){var r=a.limit-a.cursor;return!!(a.out_grouping_b(i,89,121)&&a.in_grouping_b(v,97,121)&&a.out_grouping_b(v,97,121)||(a.cursor=a.limit-r,a.out_grouping_b(v,97,121)&&a.in_grouping_b(v,97,121)&&!(a.cursor>a.limit_backward))||(a.cursor=a.limit-r,a.eq_s_b("past")))}function z(){return h<=a.cursor}function Y(){return y<=a.cursor}this.stem=function(){var r=a.cursor;if(!(()=>{var r;if(a.bra=a.cursor,0!=(r=a.find_among(g))&&(a.ket=a.cursor,!(a.cursor<a.limit))){switch(r){case 1:if(a.slice_from("sky"))break;return;case 2:if(a.slice_from("idl"))break;return;case 3:if(a.slice_from("gentl"))break;return;case 4:if(a.slice_from("ugli"))break;return;case 5:if(a.slice_from("earli"))break;return;case 6:if(a.slice_from("onli"))break;return;case 7:if(a.slice_from("singl"))break;return}return 1}})()){a.cursor=r;var i=a.cursor,e=a.cursor+3;if(e>a.limit)a.cursor=i;else{a.cursor=e,a.cursor=r,(()=>{p=!1;var r=a.cursor;if(a.bra=a.cursor,!a.eq_s("'")||(a.ket=a.cursor,a.slice_del())){a.cursor=r;r=a.cursor;if(a.bra=a.cursor,a.eq_s("y")){if(a.ket=a.cursor,!a.slice_from("Y"))return;p=!0}a.cursor=r;for(r=a.cursor;;){var i=a.cursor;r:{for(;;){var e=a.cursor;if(a.in_grouping(v,97,121)&&(a.bra=a.cursor,a.eq_s("y"))){a.ket=a.cursor,a.cursor=e;break}if(a.cursor=e,a.cursor>=a.limit)break r;a.cursor++}if(!a.slice_from("Y"))return;p=!0;continue}a.cursor=i;break}a.cursor=r}})(),h=a.limit,y=a.limit;i=a.cursor;r:{var s=a.cursor;if(0==a.find_among(c)){if(a.cursor=s,!a.go_out_grouping(v,97,121))break r;if(a.cursor++,!a.go_in_grouping(v,97,121))break r;a.cursor++}h=a.cursor,a.go_out_grouping(v,97,121)&&(a.cursor++,a.go_in_grouping(v,97,121))&&(a.cursor++,y=a.cursor)}a.cursor=i,a.limit_backward=a.cursor,a.cursor=a.limit;var e=a.limit-a.cursor,r=((()=>{var r=a.limit-a.cursor;if(a.ket=a.cursor,0==a.find_among_b(o))a.cursor=a.limit-r;else if(a.bra=a.cursor,!a.slice_del())return;if(a.ket=a.cursor,0!=(r=a.find_among_b(u)))switch(a.bra=a.cursor,r){case 1:if(a.slice_from("ss"))break;return;case 2:r:{var i=a.limit-a.cursor,e=a.cursor-2;if(!(e<a.limit_backward)){if(a.cursor=e,a.slice_from("i"))break r;return}if(a.cursor=a.limit-i,!a.slice_from("ie"))return}break;case 3:if(a.cursor<=a.limit_backward)return;if(a.cursor--,!a.go_out_grouping_b(v,97,121))return;if(a.cursor--,a.slice_del())break}})(),a.cursor=a.limit-e,a.limit-a.cursor),i=((()=>{a.ket=a.cursor,o=a.find_among_b(n),a.bra=a.cursor;r:{var r=a.limit-a.cursor;i:{switch(o){case 1:var i=a.limit-a.cursor;e:{var e=a.limit-a.cursor;if(0==a.find_among_b(t)||a.cursor>a.limit_backward){if(a.cursor=a.limit-e,!z())break e;if(!a.slice_from("ee"))return}}a.cursor=a.limit-i;break;case 2:break i;case 3:if(0==(o=a.find_among_b(l)))break i;switch(o){case 1:var s=a.limit-a.cursor;if(!a.out_grouping_b(v,97,121))break i;if(a.cursor>a.limit_backward)break i;if(a.cursor=a.limit-s,a.bra=a.cursor,a.slice_from("ie"))break;return;case 2:if(a.cursor>a.limit_backward)break i}}break r}a.cursor=a.limit-r;var c=a.limit-a.cursor;if(!a.go_out_grouping_b(v,97,121))return;if(a.cursor--,a.cursor=a.limit-c,!a.slice_del())return;a.ket=a.cursor,a.bra=a.cursor;var o,c=a.limit-a.cursor;switch(o=a.find_among_b(f)){case 1:return a.slice_from("e");case 2:var u=a.limit-a.cursor;if(a.in_grouping_b(d,97,111)&&!(a.cursor>a.limit_backward))return;a.cursor=a.limit-u;break;case 3:return a.cursor!=h||(u=a.limit-a.cursor,q()&&(a.cursor=a.limit-u,a.slice_from("e")))}if(a.cursor=a.limit-c,a.ket=a.cursor,a.cursor<=a.limit_backward)return;if(a.cursor--,a.bra=a.cursor,!a.slice_del())return}})(),a.cursor=a.limit-r,a.limit-a.cursor),r=(a.ket=a.cursor,e=a.limit-a.cursor,(a.eq_s_b("y")||(a.cursor=a.limit-e,a.eq_s_b("Y")))&&(a.bra=a.cursor,a.out_grouping_b(v,97,121))&&a.cursor>a.limit_backward&&a.slice_from("i"),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(_))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ence"))break;return;case 3:if(a.slice_from("ance"))break;return;case 4:if(a.slice_from("able"))break;return;case 5:if(a.slice_from("ent"))break;return;case 6:if(a.slice_from("ize"))break;return;case 7:if(a.slice_from("ate"))break;return;case 8:if(a.slice_from("al"))break;return;case 9:if(a.slice_from("ful"))break;return;case 10:if(a.slice_from("ous"))break;return;case 11:if(a.slice_from("ive"))break;return;case 12:if(a.slice_from("ble"))break;return;case 13:if(a.slice_from("og"))break;return;case 14:if(!a.eq_s_b("l"))return;if(a.slice_from("og"))break;return;case 15:if(a.slice_from("less"))break;return;case 16:if(!a.in_grouping_b(w,99,116))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.limit-a.cursor),i=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(m))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ate"))break;return;case 3:if(a.slice_from("al"))break;return;case 4:if(a.slice_from("ic"))break;return;case 5:if(a.slice_del())break;return;case 6:if(!Y())return;if(a.slice_del())break}})(),a.cursor=a.limit-e,a.limit-a.cursor),r=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(b))&&(a.bra=a.cursor,Y()))switch(r){case 1:if(a.slice_del())break;return;case 2:var i=a.limit-a.cursor;if(!a.eq_s_b("s")&&(a.cursor=a.limit-i,!a.eq_s_b("t")))return;if(a.slice_del())break}})(),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(k)))switch(a.bra=a.cursor,r){case 1:if(!Y()){if(!z())return;var i=a.limit-a.cursor;if(q())return;a.cursor=a.limit-i}if(a.slice_del())break;return;case 2:if(!Y())return;if(!a.eq_s_b("l"))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.cursor=a.limit_backward,a.cursor);(()=>{if(p)for(;;){var r=a.cursor;r:{for(;;){var i=a.cursor;if(a.bra=a.cursor,a.eq_s("Y")){a.ket=a.cursor,a.cursor=i;break}if(a.cursor=i,a.cursor>=a.limit)break r;a.cursor++}if(a.slice_from("y"))continue;return}a.cursor=r;break}})(),a.cursor=e}}return!0},this.stemWord=function(r){return a.setCurrent(r),this.stem(),a.getCurrent()}};
+window.Stemmer = EnglishStemmer;
diff --git a/docs/cpp/_static/pygments.css b/docs/cpp/_static/pygments.css
index 691aeb82..5f2b0a25 100644
--- a/docs/cpp/_static/pygments.css
+++ b/docs/cpp/_static/pygments.css
@@ -6,25 +6,26 @@ span.linenos.special { color: #000000; background-color: #ffffc0; padding-left:
 .highlight .hll { background-color: #ffffcc }
 .highlight { background: #eeffcc; }
 .highlight .c { color: #408090; font-style: italic } /* Comment */
-.highlight .err { border: 1px solid #FF0000 } /* Error */
+.highlight .err { border: 1px solid #F00 } /* Error */
 .highlight .k { color: #007020; font-weight: bold } /* Keyword */
-.highlight .o { color: #666666 } /* Operator */
+.highlight .o { color: #666 } /* Operator */
 .highlight .ch { color: #408090; font-style: italic } /* Comment.Hashbang */
 .highlight .cm { color: #408090; font-style: italic } /* Comment.Multiline */
 .highlight .cp { color: #007020 } /* Comment.Preproc */
 .highlight .cpf { color: #408090; font-style: italic } /* Comment.PreprocFile */
 .highlight .c1 { color: #408090; font-style: italic } /* Comment.Single */
-.highlight .cs { color: #408090; background-color: #fff0f0 } /* Comment.Special */
+.highlight .cs { color: #408090; background-color: #FFF0F0 } /* Comment.Special */
 .highlight .gd { color: #A00000 } /* Generic.Deleted */
 .highlight .ge { font-style: italic } /* Generic.Emph */
-.highlight .gr { color: #FF0000 } /* Generic.Error */
+.highlight .ges { font-weight: bold; font-style: italic } /* Generic.EmphStrong */
+.highlight .gr { color: #F00 } /* Generic.Error */
 .highlight .gh { color: #000080; font-weight: bold } /* Generic.Heading */
 .highlight .gi { color: #00A000 } /* Generic.Inserted */
-.highlight .go { color: #333333 } /* Generic.Output */
-.highlight .gp { color: #c65d09; font-weight: bold } /* Generic.Prompt */
+.highlight .go { color: #333 } /* Generic.Output */
+.highlight .gp { color: #C65D09; font-weight: bold } /* Generic.Prompt */
 .highlight .gs { font-weight: bold } /* Generic.Strong */
 .highlight .gu { color: #800080; font-weight: bold } /* Generic.Subheading */
-.highlight .gt { color: #0044DD } /* Generic.Traceback */
+.highlight .gt { color: #04D } /* Generic.Traceback */
 .highlight .kc { color: #007020; font-weight: bold } /* Keyword.Constant */
 .highlight .kd { color: #007020; font-weight: bold } /* Keyword.Declaration */
 .highlight .kn { color: #007020; font-weight: bold } /* Keyword.Namespace */
@@ -32,43 +33,43 @@ span.linenos.special { color: #000000; background-color: #ffffc0; padding-left:
 .highlight .kr { color: #007020; font-weight: bold } /* Keyword.Reserved */
 .highlight .kt { color: #902000 } /* Keyword.Type */
 .highlight .m { color: #208050 } /* Literal.Number */
-.highlight .s { color: #4070a0 } /* Literal.String */
-.highlight .na { color: #4070a0 } /* Name.Attribute */
+.highlight .s { color: #4070A0 } /* Literal.String */
+.highlight .na { color: #4070A0 } /* Name.Attribute */
 .highlight .nb { color: #007020 } /* Name.Builtin */
-.highlight .nc { color: #0e84b5; font-weight: bold } /* Name.Class */
-.highlight .no { color: #60add5 } /* Name.Constant */
-.highlight .nd { color: #555555; font-weight: bold } /* Name.Decorator */
-.highlight .ni { color: #d55537; font-weight: bold } /* Name.Entity */
+.highlight .nc { color: #0E84B5; font-weight: bold } /* Name.Class */
+.highlight .no { color: #60ADD5 } /* Name.Constant */
+.highlight .nd { color: #555; font-weight: bold } /* Name.Decorator */
+.highlight .ni { color: #D55537; font-weight: bold } /* Name.Entity */
 .highlight .ne { color: #007020 } /* Name.Exception */
-.highlight .nf { color: #06287e } /* Name.Function */
+.highlight .nf { color: #06287E } /* Name.Function */
 .highlight .nl { color: #002070; font-weight: bold } /* Name.Label */
-.highlight .nn { color: #0e84b5; font-weight: bold } /* Name.Namespace */
+.highlight .nn { color: #0E84B5; font-weight: bold } /* Name.Namespace */
 .highlight .nt { color: #062873; font-weight: bold } /* Name.Tag */
-.highlight .nv { color: #bb60d5 } /* Name.Variable */
+.highlight .nv { color: #BB60D5 } /* Name.Variable */
 .highlight .ow { color: #007020; font-weight: bold } /* Operator.Word */
-.highlight .w { color: #bbbbbb } /* Text.Whitespace */
+.highlight .w { color: #BBB } /* Text.Whitespace */
 .highlight .mb { color: #208050 } /* Literal.Number.Bin */
 .highlight .mf { color: #208050 } /* Literal.Number.Float */
 .highlight .mh { color: #208050 } /* Literal.Number.Hex */
 .highlight .mi { color: #208050 } /* Literal.Number.Integer */
 .highlight .mo { color: #208050 } /* Literal.Number.Oct */
-.highlight .sa { color: #4070a0 } /* Literal.String.Affix */
-.highlight .sb { color: #4070a0 } /* Literal.String.Backtick */
-.highlight .sc { color: #4070a0 } /* Literal.String.Char */
-.highlight .dl { color: #4070a0 } /* Literal.String.Delimiter */
-.highlight .sd { color: #4070a0; font-style: italic } /* Literal.String.Doc */
-.highlight .s2 { color: #4070a0 } /* Literal.String.Double */
-.highlight .se { color: #4070a0; font-weight: bold } /* Literal.String.Escape */
-.highlight .sh { color: #4070a0 } /* Literal.String.Heredoc */
-.highlight .si { color: #70a0d0; font-style: italic } /* Literal.String.Interpol */
-.highlight .sx { color: #c65d09 } /* Literal.String.Other */
+.highlight .sa { color: #4070A0 } /* Literal.String.Affix */
+.highlight .sb { color: #4070A0 } /* Literal.String.Backtick */
+.highlight .sc { color: #4070A0 } /* Literal.String.Char */
+.highlight .dl { color: #4070A0 } /* Literal.String.Delimiter */
+.highlight .sd { color: #4070A0; font-style: italic } /* Literal.String.Doc */
+.highlight .s2 { color: #4070A0 } /* Literal.String.Double */
+.highlight .se { color: #4070A0; font-weight: bold } /* Literal.String.Escape */
+.highlight .sh { color: #4070A0 } /* Literal.String.Heredoc */
+.highlight .si { color: #70A0D0; font-style: italic } /* Literal.String.Interpol */
+.highlight .sx { color: #C65D09 } /* Literal.String.Other */
 .highlight .sr { color: #235388 } /* Literal.String.Regex */
-.highlight .s1 { color: #4070a0 } /* Literal.String.Single */
+.highlight .s1 { color: #4070A0 } /* Literal.String.Single */
 .highlight .ss { color: #517918 } /* Literal.String.Symbol */
 .highlight .bp { color: #007020 } /* Name.Builtin.Pseudo */
-.highlight .fm { color: #06287e } /* Name.Function.Magic */
-.highlight .vc { color: #bb60d5 } /* Name.Variable.Class */
-.highlight .vg { color: #bb60d5 } /* Name.Variable.Global */
-.highlight .vi { color: #bb60d5 } /* Name.Variable.Instance */
-.highlight .vm { color: #bb60d5 } /* Name.Variable.Magic */
+.highlight .fm { color: #06287E } /* Name.Function.Magic */
+.highlight .vc { color: #BB60D5 } /* Name.Variable.Class */
+.highlight .vg { color: #BB60D5 } /* Name.Variable.Global */
+.highlight .vi { color: #BB60D5 } /* Name.Variable.Instance */
+.highlight .vm { color: #BB60D5 } /* Name.Variable.Magic */
 .highlight .il { color: #208050 } /* Literal.Number.Integer.Long */
\ No newline at end of file
diff --git a/docs/cpp/_static/searchtools.js b/docs/cpp/_static/searchtools.js
index 002e9c4a..e29b1c75 100644
--- a/docs/cpp/_static/searchtools.js
+++ b/docs/cpp/_static/searchtools.js
@@ -1,25 +1,20 @@
 /*
- * searchtools.js
- * ~~~~~~~~~~~~~~~~
- *
  * Sphinx JavaScript utilities for the full-text search.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
  */
+"use strict";
 
-if (!Scorer) {
-  /**
-   * Simple result scoring code.
-   */
+/**
+ * Simple result scoring code.
+ */
+if (typeof Scorer === "undefined") {
   var Scorer = {
     // Implement the following function to further tweak the score for each result
-    // The function takes a result array [filename, title, anchor, descr, score]
+    // The function takes a result array [docname, title, anchor, descr, score, filename]
     // and returns the new score.
     /*
-    score: function(result) {
-      return result[4];
+    score: result => {
+      const [docname, title, anchor, descr, score, filename, kind] = result
+      return score
     },
     */
 
@@ -28,9 +23,11 @@ if (!Scorer) {
     // or matches in the last dotted part of the object name
     objPartialMatch: 6,
     // Additive scores depending on the priority of the object
-    objPrio: {0:  15,   // used to be importantResults
-              1:  5,   // used to be objectResults
-              2: -5},  // used to be unimportantResults
+    objPrio: {
+      0: 15, // used to be importantResults
+      1: 5, // used to be objectResults
+      2: -5, // used to be unimportantResults
+    },
     //  Used when the priority is not in the mapping.
     objPrioDefault: 0,
 
@@ -39,456 +36,628 @@ if (!Scorer) {
     partialTitle: 7,
     // query found in terms
     term: 5,
-    partialTerm: 2
+    partialTerm: 2,
   };
 }
 
-if (!splitQuery) {
-  function splitQuery(query) {
-    return query.split(/\s+/);
+// Global search result kind enum, used by themes to style search results.
+// prettier-ignore
+class SearchResultKind {
+  static get index() { return "index"; }
+  static get object() { return "object"; }
+  static get text() { return "text"; }
+  static get title() { return "title"; }
+}
+
+const _removeChildren = (element) => {
+  while (element && element.lastChild) element.removeChild(element.lastChild);
+};
+
+/**
+ * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping
+ */
+const _escapeRegExp = (string) =>
+  string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string
+
+const _escapeHTML = (text) => {
+  return text
+    .replaceAll("&", "&amp;")
+    .replaceAll("<", "&lt;")
+    .replaceAll(">", "&gt;")
+    .replaceAll('"', "&quot;")
+    .replaceAll("'", "&apos;");
+};
+
+const _displayItem = (item, searchTerms, highlightTerms) => {
+  const docBuilder = DOCUMENTATION_OPTIONS.BUILDER;
+  const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX;
+  const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX;
+  const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY;
+  const contentRoot = document.documentElement.dataset.content_root;
+
+  const [docName, title, anchor, descr, score, _filename, kind] = item;
+
+  let listItem = document.createElement("li");
+  // Add a class representing the item's type:
+  // can be used by a theme's CSS selector for styling
+  // See SearchResultKind for the class names.
+  listItem.classList.add(`kind-${kind}`);
+  let requestUrl;
+  let linkUrl;
+  if (docBuilder === "dirhtml") {
+    // dirhtml builder
+    let dirname = docName + "/";
+    if (dirname.match(/\/index\/$/))
+      dirname = dirname.substring(0, dirname.length - 6);
+    else if (dirname === "index/") dirname = "";
+    requestUrl = contentRoot + dirname;
+    linkUrl = requestUrl;
+  } else {
+    // normal html builders
+    requestUrl = contentRoot + docName + docFileSuffix;
+    linkUrl = docName + docLinkSuffix;
+  }
+  let linkEl = listItem.appendChild(document.createElement("a"));
+  linkEl.href = linkUrl + anchor;
+  linkEl.dataset.score = score;
+  linkEl.innerHTML = _escapeHTML(title);
+  if (descr) {
+    listItem.appendChild(document.createElement("span")).innerHTML =
+      ` (${_escapeHTML(descr)})`;
+    // highlight search terms in the description
+    if (SPHINX_HIGHLIGHT_ENABLED)
+      // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+      highlightTerms.forEach((term) =>
+        _highlightText(listItem, term, "highlighted"),
+      );
+  } else if (showSearchSummary)
+    fetch(requestUrl)
+      .then((responseData) => responseData.text())
+      .then((data) => {
+        if (data)
+          listItem.appendChild(
+            Search.makeSearchSummary(data, searchTerms, anchor),
+          );
+        // highlight search terms in the summary
+        if (SPHINX_HIGHLIGHT_ENABLED)
+          // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+          highlightTerms.forEach((term) =>
+            _highlightText(listItem, term, "highlighted"),
+          );
+      });
+  Search.output.appendChild(listItem);
+};
+const _finishSearch = (resultCount) => {
+  Search.stopPulse();
+  Search.title.innerText = _("Search Results");
+  if (!resultCount)
+    Search.status.innerText = Documentation.gettext(
+      "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories.",
+    );
+  else
+    Search.status.innerText = Documentation.ngettext(
+      "Search finished, found one page matching the search query.",
+      "Search finished, found ${resultCount} pages matching the search query.",
+      resultCount,
+    ).replace("${resultCount}", resultCount);
+};
+const _displayNextItem = (
+  results,
+  resultCount,
+  searchTerms,
+  highlightTerms,
+) => {
+  // results left, load the summary and display it
+  // this is intended to be dynamic (don't sub resultsCount)
+  if (results.length) {
+    _displayItem(results.pop(), searchTerms, highlightTerms);
+    setTimeout(
+      () => _displayNextItem(results, resultCount, searchTerms, highlightTerms),
+      5,
+    );
+  }
+  // search finished, update title and status message
+  else _finishSearch(resultCount);
+};
+// Helper function used by query() to order search results.
+// Each input is an array of [docname, title, anchor, descr, score, filename, kind].
+// Order the results by score (in opposite order of appearance, since the
+// `_displayNextItem` function uses pop() to retrieve items) and then alphabetically.
+const _orderResultsByScoreThenName = (a, b) => {
+  const leftScore = a[4];
+  const rightScore = b[4];
+  if (leftScore === rightScore) {
+    // same score: sort alphabetically
+    const leftTitle = a[1].toLowerCase();
+    const rightTitle = b[1].toLowerCase();
+    if (leftTitle === rightTitle) return 0;
+    return leftTitle > rightTitle ? -1 : 1; // inverted is intentional
   }
+  return leftScore > rightScore ? 1 : -1;
+};
+
+/**
+ * Default splitQuery function. Can be overridden in ``sphinx.search`` with a
+ * custom function per language.
+ *
+ * The regular expression works by splitting the string on consecutive characters
+ * that are not Unicode letters, numbers, underscores, or emoji characters.
+ * This is the same as ``\W+`` in Python, preserving the surrogate pair area.
+ */
+if (typeof splitQuery === "undefined") {
+  var splitQuery = (query) =>
+    query
+      .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu)
+      .filter((term) => term); // remove remaining empty strings
 }
 
 /**
  * Search Module
  */
-var Search = {
-
-  _index : null,
-  _queued_query : null,
-  _pulse_status : -1,
-
-  htmlToText : function(htmlString) {
-      var virtualDocument = document.implementation.createHTMLDocument('virtual');
-      var htmlElement = $(htmlString, virtualDocument);
-      htmlElement.find('.headerlink').remove();
-      docContent = htmlElement.find('[role=main]')[0];
-      if(docContent === undefined) {
-          console.warn("Content block not found. Sphinx search tries to obtain it " +
-                       "via '[role=main]'. Could you check your theme or template.");
-          return "";
-      }
-      return docContent.textContent || docContent.innerText;
-  },
+const Search = {
+  _index: null,
+  _queued_query: null,
+  _pulse_status: -1,
+
+  htmlToText: (htmlString, anchor) => {
+    const htmlElement = new DOMParser().parseFromString(
+      htmlString,
+      "text/html",
+    );
+    for (const removalQuery of [".headerlink", "script", "style"]) {
+      htmlElement.querySelectorAll(removalQuery).forEach((el) => {
+        el.remove();
+      });
+    }
+    if (anchor) {
+      const anchorContent = htmlElement.querySelector(
+        `[role="main"] ${anchor}`,
+      );
+      if (anchorContent) return anchorContent.textContent;
+
+      console.warn(
+        `Anchored content block not found. Sphinx search tries to obtain it via DOM query '[role=main] ${anchor}'. Check your theme or template.`,
+      );
+    }
 
-  init : function() {
-      var params = $.getQueryParameters();
-      if (params.q) {
-          var query = params.q[0];
-          $('input[name="q"]')[0].value = query;
-          this.performSearch(query);
-      }
+    // if anchor not specified or not found, fall back to main content
+    const docContent = htmlElement.querySelector('[role="main"]');
+    if (docContent) return docContent.textContent;
+
+    console.warn(
+      "Content block not found. Sphinx search tries to obtain it via DOM query '[role=main]'. Check your theme or template.",
+    );
+    return "";
   },
 
-  loadIndex : function(url) {
-    $.ajax({type: "GET", url: url, data: null,
-            dataType: "script", cache: true,
-            complete: function(jqxhr, textstatus) {
-              if (textstatus != "success") {
-                document.getElementById("searchindexloader").src = url;
-              }
-            }});
+  init: () => {
+    const query = new URLSearchParams(window.location.search).get("q");
+    document
+      .querySelectorAll('input[name="q"]')
+      .forEach((el) => (el.value = query));
+    if (query) Search.performSearch(query);
   },
 
-  setIndex : function(index) {
-    var q;
-    this._index = index;
-    if ((q = this._queued_query) !== null) {
-      this._queued_query = null;
-      Search.query(q);
+  loadIndex: (url) =>
+    (document.body.appendChild(document.createElement("script")).src = url),
+
+  setIndex: (index) => {
+    Search._index = index;
+    if (Search._queued_query !== null) {
+      const query = Search._queued_query;
+      Search._queued_query = null;
+      Search.query(query);
     }
   },
 
-  hasIndex : function() {
-      return this._index !== null;
-  },
+  hasIndex: () => Search._index !== null,
 
-  deferQuery : function(query) {
-      this._queued_query = query;
-  },
+  deferQuery: (query) => (Search._queued_query = query),
 
-  stopPulse : function() {
-      this._pulse_status = 0;
-  },
+  stopPulse: () => (Search._pulse_status = -1),
+
+  startPulse: () => {
+    if (Search._pulse_status >= 0) return;
 
-  startPulse : function() {
-    if (this._pulse_status >= 0)
-        return;
-    function pulse() {
-      var i;
+    const pulse = () => {
       Search._pulse_status = (Search._pulse_status + 1) % 4;
-      var dotString = '';
-      for (i = 0; i < Search._pulse_status; i++)
-        dotString += '.';
-      Search.dots.text(dotString);
-      if (Search._pulse_status > -1)
-        window.setTimeout(pulse, 500);
-    }
+      Search.dots.innerText = ".".repeat(Search._pulse_status);
+      if (Search._pulse_status >= 0) window.setTimeout(pulse, 500);
+    };
     pulse();
   },
 
   /**
    * perform a search for something (or wait until index is loaded)
    */
-  performSearch : function(query) {
+  performSearch: (query) => {
     // create the required interface elements
-    this.out = $('#search-results');
-    this.title = $('<h2>' + _('Searching') + '</h2>').appendTo(this.out);
-    this.dots = $('<span></span>').appendTo(this.title);
-    this.status = $('<p class="search-summary">&nbsp;</p>').appendTo(this.out);
-    this.output = $('<ul class="search"/>').appendTo(this.out);
-
-    $('#search-progress').text(_('Preparing search...'));
-    this.startPulse();
+    const searchText = document.createElement("h2");
+    searchText.textContent = _("Searching");
+    const searchSummary = document.createElement("p");
+    searchSummary.classList.add("search-summary");
+    searchSummary.innerText = "";
+    const searchList = document.createElement("ul");
+    searchList.setAttribute("role", "list");
+    searchList.classList.add("search");
+
+    const out = document.getElementById("search-results");
+    Search.title = out.appendChild(searchText);
+    Search.dots = Search.title.appendChild(document.createElement("span"));
+    Search.status = out.appendChild(searchSummary);
+    Search.output = out.appendChild(searchList);
+
+    const searchProgress = document.getElementById("search-progress");
+    // Some themes don't use the search progress node
+    if (searchProgress) {
+      searchProgress.innerText = _("Preparing search...");
+    }
+    Search.startPulse();
 
     // index already loaded, the browser was quick!
-    if (this.hasIndex())
-      this.query(query);
-    else
-      this.deferQuery(query);
+    if (Search.hasIndex()) Search.query(query);
+    else Search.deferQuery(query);
   },
 
-  /**
-   * execute search (requires search index to be loaded)
-   */
-  query : function(query) {
-    var i;
-
-    // stem the searchterms and add them to the correct list
-    var stemmer = new Stemmer();
-    var searchterms = [];
-    var excluded = [];
-    var hlterms = [];
-    var tmp = splitQuery(query);
-    var objectterms = [];
-    for (i = 0; i < tmp.length; i++) {
-      if (tmp[i] !== "") {
-          objectterms.push(tmp[i].toLowerCase());
-      }
+  _parseQuery: (query) => {
+    // stem the search terms and add them to the correct list
+    const stemmer = new Stemmer();
+    const searchTerms = new Set();
+    const excludedTerms = new Set();
+    const highlightTerms = new Set();
+    const objectTerms = new Set(splitQuery(query.toLowerCase().trim()));
+    splitQuery(query.trim()).forEach((queryTerm) => {
+      const queryTermLower = queryTerm.toLowerCase();
+
+      // maybe skip this "word"
+      // stopwords set is from language_data.js
+      if (stopwords.has(queryTermLower) || queryTerm.match(/^\d+$/)) return;
 
-      if ($u.indexOf(stopwords, tmp[i].toLowerCase()) != -1 || tmp[i] === "") {
-        // skip this "word"
-        continue;
-      }
       // stem the word
-      var word = stemmer.stemWord(tmp[i].toLowerCase());
-      // prevent stemmer from cutting word smaller than two chars
-      if(word.length < 3 && tmp[i].length >= 3) {
-        word = tmp[i];
-      }
-      var toAppend;
+      let word = stemmer.stemWord(queryTermLower);
       // select the correct list
-      if (word[0] == '-') {
-        toAppend = excluded;
-        word = word.substr(1);
-      }
+      if (word[0] === "-") excludedTerms.add(word.substr(1));
       else {
-        toAppend = searchterms;
-        hlterms.push(tmp[i].toLowerCase());
+        searchTerms.add(word);
+        highlightTerms.add(queryTermLower);
       }
-      // only add if not already in the list
-      if (!$u.contains(toAppend, word))
-        toAppend.push(word);
+    });
+
+    if (SPHINX_HIGHLIGHT_ENABLED) {
+      // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+      localStorage.setItem(
+        "sphinx_highlight_terms",
+        [...highlightTerms].join(" "),
+      );
     }
-    var highlightstring = '?highlight=' + $.urlencode(hlterms.join(" "));
 
-    // console.debug('SEARCH: searching for:');
-    // console.info('required: ', searchterms);
-    // console.info('excluded: ', excluded);
+    // console.debug("SEARCH: searching for:");
+    // console.info("required: ", [...searchTerms]);
+    // console.info("excluded: ", [...excludedTerms]);
 
-    // prepare search
-    var terms = this._index.terms;
-    var titleterms = this._index.titleterms;
+    return [query, searchTerms, excludedTerms, highlightTerms, objectTerms];
+  },
 
-    // array of [filename, title, anchor, descr, score]
-    var results = [];
-    $('#search-progress').empty();
+  /**
+   * execute search (requires search index to be loaded)
+   */
+  _performSearch: (
+    query,
+    searchTerms,
+    excludedTerms,
+    highlightTerms,
+    objectTerms,
+  ) => {
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const titles = Search._index.titles;
+    const allTitles = Search._index.alltitles;
+    const indexEntries = Search._index.indexentries;
+
+    // Collect multiple result groups to be sorted separately and then ordered.
+    // Each is an array of [docname, title, anchor, descr, score, filename, kind].
+    const normalResults = [];
+    const nonMainIndexResults = [];
+
+    _removeChildren(document.getElementById("search-progress"));
+
+    const queryLower = query.toLowerCase().trim();
+    for (const [title, foundTitles] of Object.entries(allTitles)) {
+      if (
+        title.toLowerCase().trim().includes(queryLower)
+        && queryLower.length >= title.length / 2
+      ) {
+        for (const [file, id] of foundTitles) {
+          const score = Math.round(
+            (Scorer.title * queryLower.length) / title.length,
+          );
+          const boost = titles[file] === title ? 1 : 0; // add a boost for document titles
+          normalResults.push([
+            docNames[file],
+            titles[file] !== title ? `${titles[file]} > ${title}` : title,
+            id !== null ? "#" + id : "",
+            null,
+            score + boost,
+            filenames[file],
+            SearchResultKind.title,
+          ]);
+        }
+      }
+    }
 
-    // lookup as object
-    for (i = 0; i < objectterms.length; i++) {
-      var others = [].concat(objectterms.slice(0, i),
-                             objectterms.slice(i+1, objectterms.length));
-      results = results.concat(this.performObjectSearch(objectterms[i], others));
+    // search for explicit entries in index directives
+    for (const [entry, foundEntries] of Object.entries(indexEntries)) {
+      if (entry.includes(queryLower) && queryLower.length >= entry.length / 2) {
+        for (const [file, id, isMain] of foundEntries) {
+          const score = Math.round((100 * queryLower.length) / entry.length);
+          const result = [
+            docNames[file],
+            titles[file],
+            id ? "#" + id : "",
+            null,
+            score,
+            filenames[file],
+            SearchResultKind.index,
+          ];
+          if (isMain) {
+            normalResults.push(result);
+          } else {
+            nonMainIndexResults.push(result);
+          }
+        }
+      }
     }
 
+    // lookup as object
+    objectTerms.forEach((term) =>
+      normalResults.push(...Search.performObjectSearch(term, objectTerms)),
+    );
+
     // lookup as search terms in fulltext
-    results = results.concat(this.performTermsSearch(searchterms, excluded, terms, titleterms));
+    normalResults.push(
+      ...Search.performTermsSearch(searchTerms, excludedTerms),
+    );
 
     // let the scorer override scores with a custom scoring function
     if (Scorer.score) {
-      for (i = 0; i < results.length; i++)
-        results[i][4] = Scorer.score(results[i]);
+      normalResults.forEach((item) => (item[4] = Scorer.score(item)));
+      nonMainIndexResults.forEach((item) => (item[4] = Scorer.score(item)));
     }
 
-    // now sort the results by score (in opposite order of appearance, since the
-    // display function below uses pop() to retrieve items) and then
-    // alphabetically
-    results.sort(function(a, b) {
-      var left = a[4];
-      var right = b[4];
-      if (left > right) {
-        return 1;
-      } else if (left < right) {
-        return -1;
-      } else {
-        // same score: sort alphabetically
-        left = a[1].toLowerCase();
-        right = b[1].toLowerCase();
-        return (left > right) ? -1 : ((left < right) ? 1 : 0);
+    // Sort each group of results by score and then alphabetically by name.
+    normalResults.sort(_orderResultsByScoreThenName);
+    nonMainIndexResults.sort(_orderResultsByScoreThenName);
+
+    // Combine the result groups in (reverse) order.
+    // Non-main index entries are typically arbitrary cross-references,
+    // so display them after other results.
+    let results = [...nonMainIndexResults, ...normalResults];
+
+    // remove duplicate search results
+    // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept
+    let seen = new Set();
+    results = results.reverse().reduce((acc, result) => {
+      let resultStr = result
+        .slice(0, 4)
+        .concat([result[5]])
+        .map((v) => String(v))
+        .join(",");
+      if (!seen.has(resultStr)) {
+        acc.push(result);
+        seen.add(resultStr);
       }
-    });
+      return acc;
+    }, []);
+
+    return results.reverse();
+  },
+
+  query: (query) => {
+    const [
+      searchQuery,
+      searchTerms,
+      excludedTerms,
+      highlightTerms,
+      objectTerms,
+    ] = Search._parseQuery(query);
+    const results = Search._performSearch(
+      searchQuery,
+      searchTerms,
+      excludedTerms,
+      highlightTerms,
+      objectTerms,
+    );
 
     // for debugging
     //Search.lastresults = results.slice();  // a copy
-    //console.info('search results:', Search.lastresults);
+    // console.info("search results:", Search.lastresults);
 
     // print the results
-    var resultCount = results.length;
-    function displayNextItem() {
-      // results left, load the summary and display it
-      if (results.length) {
-        var item = results.pop();
-        var listItem = $('<li></li>');
-        var requestUrl = "";
-        var linkUrl = "";
-        if (DOCUMENTATION_OPTIONS.BUILDER === 'dirhtml') {
-          // dirhtml builder
-          var dirname = item[0] + '/';
-          if (dirname.match(/\/index\/$/)) {
-            dirname = dirname.substring(0, dirname.length-6);
-          } else if (dirname == 'index/') {
-            dirname = '';
-          }
-          requestUrl = DOCUMENTATION_OPTIONS.URL_ROOT + dirname;
-          linkUrl = requestUrl;
-
-        } else {
-          // normal html builders
-          requestUrl = DOCUMENTATION_OPTIONS.URL_ROOT + item[0] + DOCUMENTATION_OPTIONS.FILE_SUFFIX;
-          linkUrl = item[0] + DOCUMENTATION_OPTIONS.LINK_SUFFIX;
-        }
-        listItem.append($('<a/>').attr('href',
-            linkUrl +
-            highlightstring + item[2]).html(item[1]));
-        if (item[3]) {
-          listItem.append($('<span> (' + item[3] + ')</span>'));
-          Search.output.append(listItem);
-          setTimeout(function() {
-            displayNextItem();
-          }, 5);
-        } else if (DOCUMENTATION_OPTIONS.HAS_SOURCE) {
-          $.ajax({url: requestUrl,
-                  dataType: "text",
-                  complete: function(jqxhr, textstatus) {
-                    var data = jqxhr.responseText;
-                    if (data !== '' && data !== undefined) {
-                      var summary = Search.makeSearchSummary(data, searchterms, hlterms);
-                      if (summary) {
-                        listItem.append(summary);
-                      }
-                    }
-                    Search.output.append(listItem);
-                    setTimeout(function() {
-                      displayNextItem();
-                    }, 5);
-                  }});
-        } else {
-          // no source available, just display title
-          Search.output.append(listItem);
-          setTimeout(function() {
-            displayNextItem();
-          }, 5);
-        }
-      }
-      // search finished, update title and status message
-      else {
-        Search.stopPulse();
-        Search.title.text(_('Search Results'));
-        if (!resultCount)
-          Search.status.text(_('Your search did not match any documents. Please make sure that all words are spelled correctly and that you\'ve selected enough categories.'));
-        else
-            Search.status.text(_('Search finished, found %s page(s) matching the search query.').replace('%s', resultCount));
-        Search.status.fadeIn(500);
-      }
-    }
-    displayNextItem();
+    _displayNextItem(results, results.length, searchTerms, highlightTerms);
   },
 
   /**
    * search for object names
    */
-  performObjectSearch : function(object, otherterms) {
-    var filenames = this._index.filenames;
-    var docnames = this._index.docnames;
-    var objects = this._index.objects;
-    var objnames = this._index.objnames;
-    var titles = this._index.titles;
-
-    var i;
-    var results = [];
-
-    for (var prefix in objects) {
-      for (var iMatch = 0; iMatch != objects[prefix].length; ++iMatch) {
-        var match = objects[prefix][iMatch];
-        var name = match[4];
-        var fullname = (prefix ? prefix + '.' : '') + name;
-        var fullnameLower = fullname.toLowerCase()
-        if (fullnameLower.indexOf(object) > -1) {
-          var score = 0;
-          var parts = fullnameLower.split('.');
-          // check for different match types: exact matches of full name or
-          // "last name" (i.e. last dotted part)
-          if (fullnameLower == object || parts[parts.length - 1] == object) {
-            score += Scorer.objNameMatch;
-          // matches in last name
-          } else if (parts[parts.length - 1].indexOf(object) > -1) {
-            score += Scorer.objPartialMatch;
-          }
-          var objname = objnames[match[1]][2];
-          var title = titles[match[0]];
-          // If more than one term searched for, we require other words to be
-          // found in the name/title/description
-          if (otherterms.length > 0) {
-            var haystack = (prefix + ' ' + name + ' ' +
-                            objname + ' ' + title).toLowerCase();
-            var allfound = true;
-            for (i = 0; i < otherterms.length; i++) {
-              if (haystack.indexOf(otherterms[i]) == -1) {
-                allfound = false;
-                break;
-              }
-            }
-            if (!allfound) {
-              continue;
-            }
-          }
-          var descr = objname + _(', in ') + title;
-
-          var anchor = match[3];
-          if (anchor === '')
-            anchor = fullname;
-          else if (anchor == '-')
-            anchor = objnames[match[1]][1] + '-' + fullname;
-          // add custom score for some objects according to scorer
-          if (Scorer.objPrio.hasOwnProperty(match[2])) {
-            score += Scorer.objPrio[match[2]];
-          } else {
-            score += Scorer.objPrioDefault;
-          }
-          results.push([docnames[match[0]], fullname, '#'+anchor, descr, score, filenames[match[0]]]);
-        }
+  performObjectSearch: (object, objectTerms) => {
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const objects = Search._index.objects;
+    const objNames = Search._index.objnames;
+    const titles = Search._index.titles;
+
+    const results = [];
+
+    const objectSearchCallback = (prefix, match) => {
+      const name = match[4];
+      const fullname = (prefix ? prefix + "." : "") + name;
+      const fullnameLower = fullname.toLowerCase();
+      if (fullnameLower.indexOf(object) < 0) return;
+
+      let score = 0;
+      const parts = fullnameLower.split(".");
+
+      // check for different match types: exact matches of full name or
+      // "last name" (i.e. last dotted part)
+      if (fullnameLower === object || parts.slice(-1)[0] === object)
+        score += Scorer.objNameMatch;
+      else if (parts.slice(-1)[0].indexOf(object) > -1)
+        score += Scorer.objPartialMatch; // matches in last name
+
+      const objName = objNames[match[1]][2];
+      const title = titles[match[0]];
+
+      // If more than one term searched for, we require other words to be
+      // found in the name/title/description
+      const otherTerms = new Set(objectTerms);
+      otherTerms.delete(object);
+      if (otherTerms.size > 0) {
+        const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase();
+        if (
+          [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0)
+        )
+          return;
       }
-    }
 
+      let anchor = match[3];
+      if (anchor === "") anchor = fullname;
+      else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname;
+
+      const descr = objName + _(", in ") + title;
+
+      // add custom score for some objects according to scorer
+      if (Scorer.objPrio.hasOwnProperty(match[2]))
+        score += Scorer.objPrio[match[2]];
+      else score += Scorer.objPrioDefault;
+
+      results.push([
+        docNames[match[0]],
+        fullname,
+        "#" + anchor,
+        descr,
+        score,
+        filenames[match[0]],
+        SearchResultKind.object,
+      ]);
+    };
+    Object.keys(objects).forEach((prefix) =>
+      objects[prefix].forEach((array) => objectSearchCallback(prefix, array)),
+    );
     return results;
   },
 
-  /**
-   * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions
-   */
-  escapeRegExp : function(string) {
-    return string.replace(/[.*+\-?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string
-  },
-
   /**
    * search for full-text terms in the index
    */
-  performTermsSearch : function(searchterms, excluded, terms, titleterms) {
-    var docnames = this._index.docnames;
-    var filenames = this._index.filenames;
-    var titles = this._index.titles;
+  performTermsSearch: (searchTerms, excludedTerms) => {
+    // prepare search
+    const terms = Search._index.terms;
+    const titleTerms = Search._index.titleterms;
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const titles = Search._index.titles;
 
-    var i, j, file;
-    var fileMap = {};
-    var scoreMap = {};
-    var results = [];
+    const scoreMap = new Map();
+    const fileMap = new Map();
 
     // perform the search on the required terms
-    for (i = 0; i < searchterms.length; i++) {
-      var word = searchterms[i];
-      var files = [];
-      var _o = [
-        {files: terms[word], score: Scorer.term},
-        {files: titleterms[word], score: Scorer.title}
+    searchTerms.forEach((word) => {
+      const files = [];
+      // find documents, if any, containing the query word in their text/title term indices
+      // use Object.hasOwnProperty to avoid mismatching against prototype properties
+      const arr = [
+        {
+          files: terms.hasOwnProperty(word) ? terms[word] : undefined,
+          score: Scorer.term,
+        },
+        {
+          files: titleTerms.hasOwnProperty(word) ? titleTerms[word] : undefined,
+          score: Scorer.title,
+        },
       ];
       // add support for partial matches
       if (word.length > 2) {
-        var word_regex = this.escapeRegExp(word);
-        for (var w in terms) {
-          if (w.match(word_regex) && !terms[word]) {
-            _o.push({files: terms[w], score: Scorer.partialTerm})
-          }
+        const escapedWord = _escapeRegExp(word);
+        if (!terms.hasOwnProperty(word)) {
+          Object.keys(terms).forEach((term) => {
+            if (term.match(escapedWord))
+              arr.push({ files: terms[term], score: Scorer.partialTerm });
+          });
         }
-        for (var w in titleterms) {
-          if (w.match(word_regex) && !titleterms[word]) {
-              _o.push({files: titleterms[w], score: Scorer.partialTitle})
-          }
+        if (!titleTerms.hasOwnProperty(word)) {
+          Object.keys(titleTerms).forEach((term) => {
+            if (term.match(escapedWord))
+              arr.push({ files: titleTerms[term], score: Scorer.partialTitle });
+          });
         }
       }
 
       // no match but word was a required one
-      if ($u.every(_o, function(o){return o.files === undefined;})) {
-        break;
-      }
+      if (arr.every((record) => record.files === undefined)) return;
+
       // found search word in contents
-      $u.each(_o, function(o) {
-        var _files = o.files;
-        if (_files === undefined)
-          return
-
-        if (_files.length === undefined)
-          _files = [_files];
-        files = files.concat(_files);
-
-        // set score for the word in each file to Scorer.term
-        for (j = 0; j < _files.length; j++) {
-          file = _files[j];
-          if (!(file in scoreMap))
-            scoreMap[file] = {};
-          scoreMap[file][word] = o.score;
-        }
+      arr.forEach((record) => {
+        if (record.files === undefined) return;
+
+        let recordFiles = record.files;
+        if (recordFiles.length === undefined) recordFiles = [recordFiles];
+        files.push(...recordFiles);
+
+        // set score for the word in each file
+        recordFiles.forEach((file) => {
+          if (!scoreMap.has(file)) scoreMap.set(file, new Map());
+          const fileScores = scoreMap.get(file);
+          fileScores.set(word, record.score);
+        });
       });
 
       // create the mapping
-      for (j = 0; j < files.length; j++) {
-        file = files[j];
-        if (file in fileMap && fileMap[file].indexOf(word) === -1)
-          fileMap[file].push(word);
-        else
-          fileMap[file] = [word];
-      }
-    }
+      files.forEach((file) => {
+        if (!fileMap.has(file)) fileMap.set(file, [word]);
+        else if (fileMap.get(file).indexOf(word) === -1)
+          fileMap.get(file).push(word);
+      });
+    });
 
     // now check if the files don't contain excluded terms
-    for (file in fileMap) {
-      var valid = true;
-
+    const results = [];
+    for (const [file, wordList] of fileMap) {
       // check if all requirements are matched
-      var filteredTermCount = // as search terms with length < 3 are discarded: ignore
-        searchterms.filter(function(term){return term.length > 2}).length
+
+      // as search terms with length < 3 are discarded
+      const filteredTermCount = [...searchTerms].filter(
+        (term) => term.length > 2,
+      ).length;
       if (
-        fileMap[file].length != searchterms.length &&
-        fileMap[file].length != filteredTermCount
-      ) continue;
+        wordList.length !== searchTerms.size
+        && wordList.length !== filteredTermCount
+      )
+        continue;
 
       // ensure that none of the excluded terms is in the search result
-      for (i = 0; i < excluded.length; i++) {
-        if (terms[excluded[i]] == file ||
-            titleterms[excluded[i]] == file ||
-            $u.contains(terms[excluded[i]] || [], file) ||
-            $u.contains(titleterms[excluded[i]] || [], file)) {
-          valid = false;
-          break;
-        }
-      }
+      if (
+        [...excludedTerms].some(
+          (term) =>
+            terms[term] === file
+            || titleTerms[term] === file
+            || (terms[term] || []).includes(file)
+            || (titleTerms[term] || []).includes(file),
+        )
+      )
+        break;
 
-      // if we have still a valid result we can add it to the result list
-      if (valid) {
-        // select one (max) score for the file.
-        // for better ranking, we should calculate ranking by using words statistics like basic tf-idf...
-        var score = $u.max($u.map(fileMap[file], function(w){return scoreMap[file][w]}));
-        results.push([docnames[file], titles[file], '', null, score, filenames[file]]);
-      }
+      // select one (max) score for the file.
+      const score = Math.max(...wordList.map((w) => scoreMap.get(file).get(w)));
+      // add result to the result list
+      results.push([
+        docNames[file],
+        titles[file],
+        "",
+        null,
+        score,
+        filenames[file],
+        SearchResultKind.text,
+      ]);
     }
     return results;
   },
@@ -496,34 +665,29 @@ var Search = {
   /**
    * helper function to return a node containing the
    * search summary for a given text. keywords is a list
-   * of stemmed words, hlwords is the list of normal, unstemmed
-   * words. the first one is used to find the occurrence, the
-   * latter for highlighting it.
+   * of stemmed words.
    */
-  makeSearchSummary : function(htmlText, keywords, hlwords) {
-    var text = Search.htmlToText(htmlText);
-    if (text == "") {
-      return null;
-    }
-    var textLower = text.toLowerCase();
-    var start = 0;
-    $.each(keywords, function() {
-      var i = textLower.indexOf(this.toLowerCase());
-      if (i > -1)
-        start = i;
-    });
-    start = Math.max(start - 120, 0);
-    var excerpt = ((start > 0) ? '...' : '') +
-      $.trim(text.substr(start, 240)) +
-      ((start + 240 - text.length) ? '...' : '');
-    var rv = $('<p class="context"></p>').text(excerpt);
-    $.each(hlwords, function() {
-      rv = rv.highlightText(this, 'highlighted');
-    });
-    return rv;
-  }
+  makeSearchSummary: (htmlText, keywords, anchor) => {
+    const text = Search.htmlToText(htmlText, anchor);
+    if (text === "") return null;
+
+    const textLower = text.toLowerCase();
+    const actualStartPosition = [...keywords]
+      .map((k) => textLower.indexOf(k.toLowerCase()))
+      .filter((i) => i > -1)
+      .slice(-1)[0];
+    const startWithContext = Math.max(actualStartPosition - 120, 0);
+
+    const top = startWithContext === 0 ? "" : "...";
+    const tail = startWithContext + 240 < text.length ? "..." : "";
+
+    let summary = document.createElement("p");
+    summary.classList.add("context");
+    summary.textContent =
+      top + text.substr(startWithContext, 240).trim() + tail;
+
+    return summary;
+  },
 };
 
-$(document).ready(function() {
-  Search.init();
-});
+_ready(Search.init);
diff --git a/docs/cpp/_static/sphinx_highlight.js b/docs/cpp/_static/sphinx_highlight.js
new file mode 100644
index 00000000..a74e103a
--- /dev/null
+++ b/docs/cpp/_static/sphinx_highlight.js
@@ -0,0 +1,159 @@
+/* Highlighting utilities for Sphinx HTML documentation. */
+"use strict";
+
+const SPHINX_HIGHLIGHT_ENABLED = true;
+
+/**
+ * highlight a given string on a node by wrapping it in
+ * span elements with the given class name.
+ */
+const _highlight = (node, addItems, text, className) => {
+  if (node.nodeType === Node.TEXT_NODE) {
+    const val = node.nodeValue;
+    const parent = node.parentNode;
+    const pos = val.toLowerCase().indexOf(text);
+    if (
+      pos >= 0
+      && !parent.classList.contains(className)
+      && !parent.classList.contains("nohighlight")
+    ) {
+      let span;
+
+      const closestNode = parent.closest("body, svg, foreignObject");
+      const isInSVG = closestNode && closestNode.matches("svg");
+      if (isInSVG) {
+        span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
+      } else {
+        span = document.createElement("span");
+        span.classList.add(className);
+      }
+
+      span.appendChild(document.createTextNode(val.substr(pos, text.length)));
+      const rest = document.createTextNode(val.substr(pos + text.length));
+      parent.insertBefore(span, parent.insertBefore(rest, node.nextSibling));
+      node.nodeValue = val.substr(0, pos);
+      /* There may be more occurrences of search term in this node. So call this
+       * function recursively on the remaining fragment.
+       */
+      _highlight(rest, addItems, text, className);
+
+      if (isInSVG) {
+        const rect = document.createElementNS(
+          "http://www.w3.org/2000/svg",
+          "rect",
+        );
+        const bbox = parent.getBBox();
+        rect.x.baseVal.value = bbox.x;
+        rect.y.baseVal.value = bbox.y;
+        rect.width.baseVal.value = bbox.width;
+        rect.height.baseVal.value = bbox.height;
+        rect.setAttribute("class", className);
+        addItems.push({ parent: parent, target: rect });
+      }
+    }
+  } else if (node.matches && !node.matches("button, select, textarea")) {
+    node.childNodes.forEach((el) => _highlight(el, addItems, text, className));
+  }
+};
+const _highlightText = (thisNode, text, className) => {
+  let addItems = [];
+  _highlight(thisNode, addItems, text, className);
+  addItems.forEach((obj) =>
+    obj.parent.insertAdjacentElement("beforebegin", obj.target),
+  );
+};
+
+/**
+ * Small JavaScript module for the documentation.
+ */
+const SphinxHighlight = {
+  /**
+   * highlight the search words provided in localstorage in the text
+   */
+  highlightSearchWords: () => {
+    if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight
+
+    // get and clear terms from localstorage
+    const url = new URL(window.location);
+    const highlight =
+      localStorage.getItem("sphinx_highlight_terms")
+      || url.searchParams.get("highlight")
+      || "";
+    localStorage.removeItem("sphinx_highlight_terms");
+    // Update history only if '?highlight' is present; otherwise it
+    // clears text fragments (not set in window.location by the browser)
+    if (url.searchParams.has("highlight")) {
+      url.searchParams.delete("highlight");
+      window.history.replaceState({}, "", url);
+    }
+
+    // get individual terms from highlight string
+    const terms = highlight
+      .toLowerCase()
+      .split(/\s+/)
+      .filter((x) => x);
+    if (terms.length === 0) return; // nothing to do
+
+    // There should never be more than one element matching "div.body"
+    const divBody = document.querySelectorAll("div.body");
+    const body = divBody.length ? divBody[0] : document.querySelector("body");
+    window.setTimeout(() => {
+      terms.forEach((term) => _highlightText(body, term, "highlighted"));
+    }, 10);
+
+    const searchBox = document.getElementById("searchbox");
+    if (searchBox === null) return;
+    searchBox.appendChild(
+      document
+        .createRange()
+        .createContextualFragment(
+          '<p class="highlight-link">'
+            + '<a href="javascript:SphinxHighlight.hideSearchWords()">'
+            + _("Hide Search Matches")
+            + "</a></p>",
+        ),
+    );
+  },
+
+  /**
+   * helper function to hide the search marks again
+   */
+  hideSearchWords: () => {
+    document
+      .querySelectorAll("#searchbox .highlight-link")
+      .forEach((el) => el.remove());
+    document
+      .querySelectorAll("span.highlighted")
+      .forEach((el) => el.classList.remove("highlighted"));
+    localStorage.removeItem("sphinx_highlight_terms");
+  },
+
+  initEscapeListener: () => {
+    // only install a listener if it is really needed
+    if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return;
+
+    document.addEventListener("keydown", (event) => {
+      // bail for input elements
+      if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName))
+        return;
+      // bail with special keys
+      if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey)
+        return;
+      if (
+        DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS
+        && event.key === "Escape"
+      ) {
+        SphinxHighlight.hideSearchWords();
+        event.preventDefault();
+      }
+    });
+  },
+};
+
+_ready(() => {
+  /* Do not call highlightSearchWords() when we are on the search page.
+   * It will highlight words from the *previous* search query.
+   */
+  if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords();
+  SphinxHighlight.initEscapeListener();
+});
diff --git a/docs/cpp/genindex.html b/docs/cpp/genindex.html
index a5fb1ac7..c7d01eb1 100644
--- a/docs/cpp/genindex.html
+++ b/docs/cpp/genindex.html
@@ -1,19 +1,20 @@
+
+
 <!DOCTYPE html>
-<html class="writer-html5" lang="en" >
+<html class="writer-html5" lang="en" data-content_root="./">
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>Index &mdash; libmolgrid  documentation</title>
-      <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
-      <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
-  <!--[if lt IE 9]>
-    <script src="_static/js/html5shiv.min.js"></script>
-  <![endif]-->
+      <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=03e43079" />
+      <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
+
   
-        <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-        <script src="_static/jquery.js"></script>
-        <script src="_static/underscore.js"></script>
-        <script src="_static/doctools.js"></script>
+      <script src="_static/jquery.js?v=5d32c60e"></script>
+      <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
+      <script src="_static/documentation_options.js?v=5929fcd5"></script>
+      <script src="_static/doctools.js?v=fd6eb6e6"></script>
+      <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
     <script src="_static/js/theme.js"></script>
     <link rel="index" title="Index" href="#" />
     <link rel="search" title="Search" href="search.html" /> 
@@ -24,11 +25,15 @@
     <nav data-toggle="wy-nav-shift" class="wy-nav-side">
       <div class="wy-side-scroll">
         <div class="wy-side-nav-search" >
-            <a href="index.html" class="icon icon-home"> libmolgrid
+
+          
+          
+          <a href="index.html" class="icon icon-home">
+            libmolgrid
           </a>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
-    <input type="text" name="q" placeholder="Search docs" />
+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
     <input type="hidden" name="check_keywords" value="yes" />
     <input type="hidden" name="area" value="default" />
   </form>
@@ -39,9 +44,6 @@
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html">libmolgrid C++ API Documentation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#c-docs">C++ Docs</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#indices-and-tables">Indices and tables</a></li>
 </ul>
 
         </div>
@@ -57,8 +59,8 @@
         <div class="rst-content">
           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-      <li><a href="index.html" class="icon icon-home"></a> &raquo;</li>
-      <li>Index</li>
+      <li><a href="index.html" class="icon icon-home" aria-label="Home"></a></li>
+      <li class="breadcrumb-item active">Index</li>
       <li class="wy-breadcrumbs-aside">
       </li>
   </ul>
@@ -286,8 +288,12 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache9data_rootE">libmolgrid::CoordCache::data_root (C++ member)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid10CoordCache14get_type_namesEv">libmolgrid::CoordCache::get_type_names (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERKNSt6stringE">libmolgrid::CoordCache::load_mem_cache (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERNSt7istreamE">[1]</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache17make_vector_typesE">libmolgrid::CoordCache::make_vector_types (C++ member)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid10CoordCache14mem_cache_sizeEv">libmolgrid::CoordCache::mem_cache_size (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache8memcacheE">libmolgrid::CoordCache::memcache (C++ member)</a>
 </li>
@@ -298,6 +304,8 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4NK10libmolgrid10CoordCache9num_typesEv">libmolgrid::CoordCache::num_types (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache7offsetsE">libmolgrid::CoordCache::offsets (C++ member)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERKNSt6stringE">libmolgrid::CoordCache::save_mem_cache (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERNSt7ostreamE">[1]</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet">libmolgrid::CoordCache::set_coords (C++ function)</a>
 </li>
@@ -338,6 +346,8 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4NK10libmolgrid13CoordinateSeteqERK13CoordinateSet">libmolgrid::CoordinateSet::operator== (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid13CoordinateSet5radiiE">libmolgrid::CoordinateSet::radii (C++ member)</a>
+</li>
+      <li><a href="index.html#_CPPv4I0EN10libmolgrid13CoordinateSet9serializeEvR7ArchiveKj">libmolgrid::CoordinateSet::serialize (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid13CoordinateSet13set_num_typesEj">libmolgrid::CoordinateSet::set_num_types (C++ function)</a>
 </li>
@@ -430,8 +440,14 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example">libmolgrid::ExampleExtractor::extract (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor14get_type_namesEv">libmolgrid::ExampleExtractor::get_type_names (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERKNSt6stringE">libmolgrid::ExampleExtractor::load_mem_caches (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERNSt7istreamE">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor15mem_caches_sizeEv">libmolgrid::ExampleExtractor::mem_caches_size (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef">libmolgrid::ExampleExtractor::num_types (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesEv">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERKNSt6stringE">libmolgrid::ExampleExtractor::save_mem_caches (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERNSt7ostreamE">[1]</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid16ExampleExtractorD0Ev">libmolgrid::ExampleExtractor::~ExampleExtractor (C++ function)</a>
 </li>
@@ -460,6 +476,10 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4NK10libmolgrid15ExampleProvider16large_epoch_sizeEv">libmolgrid::ExampleProvider::large_epoch_size (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid15ExampleProvider10last_epochE">libmolgrid::ExampleProvider::last_epoch (C++ member)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERKNSt6stringE">libmolgrid::ExampleProvider::load_mem_caches (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERNSt7istreamE">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid15ExampleProvider15mem_caches_sizeEv">libmolgrid::ExampleProvider::mem_caches_size (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid15ExampleProvider4nextER7Example">libmolgrid::ExampleProvider::next (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid15ExampleProvider4nextEv">[1]</a>
 </li>
@@ -474,6 +494,8 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4N10libmolgrid15ExampleProvider8providerE">libmolgrid::ExampleProvider::provider (C++ member)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid15ExampleProvider5resetEv">libmolgrid::ExampleProvider::reset (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERKNSt6stringE">libmolgrid::ExampleProvider::save_mem_caches (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERNSt7ostreamE">[1]</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid15ExampleProvider8settingsEv">libmolgrid::ExampleProvider::settings (C++ function)</a>
 </li>
@@ -561,13 +583,13 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper12get_int_typeEi">libmolgrid::FileMappedElementTyper::get_int_type (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv">libmolgrid::FileMappedElementTyper::get_type_names (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv">libmolgrid::FileMappedElementTyper::get_type_names (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv">libmolgrid::FileMappedElementTyper::get_type_radii (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv">libmolgrid::FileMappedElementTyper::get_type_radii (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv">libmolgrid::FileMappedElementTyper::is_vector_typer (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv">libmolgrid::FileMappedElementTyper::num_types (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv">libmolgrid::FileMappedElementTyper::num_types (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">libmolgrid::FileMappedElementTyper::set_names (C++ function)</a>
 </li>
@@ -581,13 +603,13 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi">libmolgrid::FileMappedGninaTyper::get_int_type (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv">libmolgrid::FileMappedGninaTyper::get_type_names (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv">libmolgrid::FileMappedGninaTyper::get_type_names (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv">libmolgrid::FileMappedGninaTyper::get_type_radii (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv">libmolgrid::FileMappedGninaTyper::get_type_radii (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv">libmolgrid::FileMappedGninaTyper::is_vector_typer (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv">libmolgrid::FileMappedGninaTyper::num_types (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv">libmolgrid::FileMappedGninaTyper::num_types (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">libmolgrid::FileMappedGninaTyper::set_names (C++ function)</a>
 </li>
@@ -719,8 +741,6 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">libmolgrid::GninaVectorTyper::get_atom_type_vector (C++ function)</a>
 </li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="index.html#_CPPv4NK10libmolgrid16GninaVectorTyper12get_int_typeEi">libmolgrid::GninaVectorTyper::get_int_type (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid16GninaVectorTyper14get_type_namesEv">libmolgrid::GninaVectorTyper::get_type_names (C++ function)</a>
@@ -739,6 +759,8 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AD_depthE">libmolgrid::GninaVectorTyper::vtype::AD_depth (C++ enumerator)</a>
 </li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="index.html#_CPPv4N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE">libmolgrid::GninaVectorTyper::vtype::AD_heteroatom (C++ enumerator)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE">libmolgrid::GninaVectorTyper::vtype::AD_solvation (C++ enumerator)</a>
@@ -859,7 +881,7 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf">libmolgrid::GridMaker::calc_atom_relevance_cpu (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4I_bENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">libmolgrid::GridMaker::calc_point (C++ function)</a>
+      <li><a href="index.html#_CPPv4IENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">libmolgrid::GridMaker::calc_point (C++ function)</a>, <a href="index.html#_CPPv4IENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">[1]</a>, <a href="index.html#_CPPv4I_bENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">[2]</a>
 </li>
       <li><a href="index.html#_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf">libmolgrid::GridMaker::calc_type_gradient_cpu (C++ function)</a>
 </li>
@@ -950,12 +972,70 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid6base_tE">libmolgrid::ManagedGrid::base_t (C++ type)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid5cloneEv">libmolgrid::ManagedGrid::clone (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10cpu_grid_t">libmolgrid::ManagedGrid::copyFrom (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10gpu_grid_t">[1]</a>, <a href="index.html#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE">[2]</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE">libmolgrid::ManagedGrid::copyInto (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid6copyToER10cpu_grid_t">libmolgrid::ManagedGrid::copyTo (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid6copyToER10gpu_grid_t">[1]</a>, <a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid6copyToER15ManagedGridBaseI5Dtype7NumDimsE">[2]</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid3cpuEv">libmolgrid::ManagedGrid::cpu (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid3cpuEv">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE">libmolgrid::ManagedGrid::cpu_grid_t (C++ type)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid4dataEv">libmolgrid::ManagedGrid::data (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid4dataEv">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid9dimensionE6size_t">libmolgrid::ManagedGrid::dimension (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid10dimensionsEv">libmolgrid::ManagedGrid::dimensions (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid9fill_zeroEv">libmolgrid::ManagedGrid::fill_zero (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid3gpuEv">libmolgrid::ManagedGrid::gpu (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid3gpuEv">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE">libmolgrid::ManagedGrid::gpu_grid_t (C++ type)</a>
+</li>
+      <li><a href="index.html#_CPPv4I0EN10libmolgrid11ManagedGrid4loadEvR7ArchiveKj">libmolgrid::ManagedGrid::load (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I">libmolgrid::ManagedGrid::ManagedGrid (C++ function)</a>, <a href="index.html#_CPPv4N10libmolgrid11ManagedGrid11ManagedGridEv">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid1NE">libmolgrid::ManagedGrid::N (C++ member)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid6offsetE6size_t">libmolgrid::ManagedGrid::offset (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid7offsetsEv">libmolgrid::ManagedGrid::offsets (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid5oncpuEv">libmolgrid::ManagedGrid::oncpu (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid5ongpuEv">libmolgrid::ManagedGrid::ongpu (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGridcv10cpu_grid_tEv">libmolgrid::ManagedGrid::operator cpu_grid_t (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGridcvR10cpu_grid_tEv">libmolgrid::ManagedGrid::operator cpu_grid_t&amp; (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGridcv10gpu_grid_tEv">libmolgrid::ManagedGrid::operator gpu_grid_t (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGridcvR10gpu_grid_tEv">libmolgrid::ManagedGrid::operator gpu_grid_t&amp; (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4IDpEN10libmolgrid11ManagedGridclER5DtypeDp1I">libmolgrid::ManagedGrid::operator() (C++ function)</a>, <a href="index.html#_CPPv4IDpENK10libmolgrid11ManagedGridclE5DtypeDp1I">[1]</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrideqERK15ManagedGridBaseI5Dtype7NumDimsE">libmolgrid::ManagedGrid::operator== (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGridixE6size_t">libmolgrid::ManagedGrid::operator[] (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4IDp0EN10libmolgrid11ManagedGrid7resizedE11ManagedGridI5Dtype7NumDimsEDp1I">libmolgrid::ManagedGrid::resized (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4I0ENK10libmolgrid11ManagedGrid4saveEvR7ArchiveKj">libmolgrid::ManagedGrid::save (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid4sizeEv">libmolgrid::ManagedGrid::size (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE">libmolgrid::ManagedGrid::subgrid_t (C++ type)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid5tocpuEb">libmolgrid::ManagedGrid::tocpu (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4NK10libmolgrid11ManagedGrid5togpuEb">libmolgrid::ManagedGrid::togpu (C++ function)</a>
+</li>
+      <li><a href="index.html#_CPPv4N10libmolgrid11ManagedGrid4typeE">libmolgrid::ManagedGrid::type (C++ type)</a>
 </li>
       <li><a href="index.html#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE">libmolgrid::ManagedGridBase (C++ class)</a>
 </li>
@@ -1036,8 +1116,6 @@ <h2 id="L">L</h2>
       <li><a href="index.html#_CPPv4N10libmolgrid20MappedAtomIndexTyperD0Ev">libmolgrid::MappedAtomIndexTyper::~MappedAtomIndexTyper (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4I0EN10libmolgrid17mgrid_buffer_dataE">libmolgrid::mgrid_buffer_data (C++ struct)</a>
-</li>
-      <li><a href="index.html#_CPPv4N10libmolgrid17mgrid_buffer_data7gpu_ptrE">libmolgrid::mgrid_buffer_data::gpu_ptr (C++ member)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid17mgrid_buffer_data11sent_to_gpuE">libmolgrid::mgrid_buffer_data::sent_to_gpu (C++ member)</a>
 </li>
@@ -1211,13 +1289,13 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper12get_int_typeEi">libmolgrid::SubsettedElementTyper::get_int_type (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv">libmolgrid::SubsettedElementTyper::get_type_names (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv">libmolgrid::SubsettedElementTyper::get_type_names (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv">libmolgrid::SubsettedElementTyper::get_type_radii (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv">libmolgrid::SubsettedElementTyper::get_type_radii (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv">libmolgrid::SubsettedElementTyper::is_vector_typer (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv">libmolgrid::SubsettedElementTyper::num_types (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv">libmolgrid::SubsettedElementTyper::num_types (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">libmolgrid::SubsettedElementTyper::set_names (C++ function)</a>
 </li>
@@ -1231,13 +1309,13 @@ <h2 id="L">L</h2>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi">libmolgrid::SubsettedGninaTyper::get_int_type (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv">libmolgrid::SubsettedGninaTyper::get_type_names (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv">libmolgrid::SubsettedGninaTyper::get_type_names (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv">libmolgrid::SubsettedGninaTyper::get_type_radii (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv">libmolgrid::SubsettedGninaTyper::get_type_radii (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv">libmolgrid::SubsettedGninaTyper::is_vector_typer (C++ function)</a>
 </li>
-      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv">libmolgrid::SubsettedGninaTyper::num_types (C++ function)</a>, <a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv">[1]</a>
+      <li><a href="index.html#_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv">libmolgrid::SubsettedGninaTyper::num_types (C++ function)</a>
 </li>
       <li><a href="index.html#_CPPv4N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">libmolgrid::SubsettedGninaTyper::set_names (C++ function)</a>
 </li>
diff --git a/docs/cpp/index.html b/docs/cpp/index.html
index 13ccd9ce..33bfc191 100644
--- a/docs/cpp/index.html
+++ b/docs/cpp/index.html
@@ -1,20 +1,21 @@
+
+
 <!DOCTYPE html>
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+<html class="writer-html5" lang="en" data-content_root="./">
 <head>
-  <meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />
+  <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>libmolgrid C++ API Documentation &mdash; libmolgrid  documentation</title>
-      <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
-      <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
-  <!--[if lt IE 9]>
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-  <![endif]-->
+      <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=03e43079" />
+      <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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-        <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-        <script src="_static/jquery.js"></script>
-        <script src="_static/underscore.js"></script>
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+      <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
     <script src="_static/js/theme.js"></script>
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" /> 
@@ -25,73 +26,25 @@
     <nav data-toggle="wy-nav-shift" class="wy-nav-side">
       <div class="wy-side-scroll">
         <div class="wy-side-nav-search" >
-            <a href="#" class="icon icon-home"> libmolgrid
+
+          
+          
+          <a href="#" class="icon icon-home">
+            libmolgrid
           </a>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
-    <input type="text" name="q" placeholder="Search docs" />
+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
     <input type="hidden" name="check_keywords" value="yes" />
     <input type="hidden" name="area" value="default" />
   </form>
 </div>
         </div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
-              <ul class="current">
+              <ul>
 <li class="toctree-l1"><a class="reference external" href="../index#://">Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1 current"><a class="current reference internal" href="#">libmolgrid C++ API Documentation</a><ul>
-<li class="toctree-l2"><a class="reference external" href="../index#://">Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../about#://">About</a></li>
-<li class="toctree-l2"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#c-docs">C++ Docs</a><ul>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomindextypemapper-class">The <code class="docutils literal notranslate"><span class="pre">AtomIndexTypeMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomindextyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomtyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-balancedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">BalancedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-callbackindextyper-class">The <code class="docutils literal notranslate"><span class="pre">CallbackIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-callbackvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">CallbackVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-cartesiangrid-class">The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-coordcache-class">The <code class="docutils literal notranslate"><span class="pre">CoordCache</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-coordinateset-class">The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-elementindextyper-class">The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-example-class">The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleextractor-class">The <code class="docutils literal notranslate"><span class="pre">ExampleExtractor</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleprovidersettings-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleref-class">The <code class="docutils literal notranslate"><span class="pre">ExampleRef</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-examplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-fileatommapper-class">The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-filemappedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-filemappedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninaindextyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninaindextyper-info-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper::info</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninavectortyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-grid-class">The <code class="docutils literal notranslate"><span class="pre">Grid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gridmaker-class">The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-groupedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">GroupedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-managedgrid-class">The <code class="docutils literal notranslate"><span class="pre">ManagedGrid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-managedgridbase-class">The <code class="docutils literal notranslate"><span class="pre">ManagedGridBase</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-mappedatomindextyper-class">The <code class="docutils literal notranslate"><span class="pre">MappedAtomIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-mgrid-buffer-data-class">The <code class="docutils literal notranslate"><span class="pre">mgrid_buffer_data</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-nullindextyper-class">The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-quaternion-class">The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-receptorstratifiedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">ReceptorStratifiedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-samplingexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">SamplingExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-stringcache-class">The <code class="docutils literal notranslate"><span class="pre">StringCache</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsetatommapper-class">The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsettedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsettedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedGninaTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-transform-class">The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-uniformexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">UniformExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-valuestratifiedexamplerefprofider-class">The <code class="docutils literal notranslate"><span class="pre">ValueStratifiedExampleRefProfider</span></code> class</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#indices-and-tables">Indices and tables</a></li>
 </ul>
 
         </div>
@@ -107,8 +60,8 @@
         <div class="rst-content">
           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-      <li><a href="#" class="icon icon-home"></a> &raquo;</li>
-      <li>libmolgrid C++ API Documentation</li>
+      <li><a href="#" class="icon icon-home" aria-label="Home"></a></li>
+      <li class="breadcrumb-item active">libmolgrid C++ API Documentation</li>
       <li class="wy-breadcrumbs-aside">
             <a href="_sources/index.rst.txt" rel="nofollow"> View page source</a>
       </li>
@@ -119,104 +72,52 @@
            <div itemprop="articleBody">
              
   <section id="libmolgrid-c-api-documentation">
-<h1>libmolgrid C++ API Documentation<a class="headerlink" href="#libmolgrid-c-api-documentation" title="Permalink to this headline"></a></h1>
+<h1>libmolgrid C++ API Documentation<a class="headerlink" href="#libmolgrid-c-api-documentation" title="Link to this heading"></a></h1>
 <div class="toctree-wrapper compound">
-<ul class="current">
+<ul>
 <li class="toctree-l1"><a class="reference external" href="../index#://">Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1 current"><a class="current reference internal" href="#">libmolgrid C++ API Documentation</a><ul>
-<li class="toctree-l2"><a class="reference external" href="../index#://">Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../about#://">About</a></li>
-<li class="toctree-l2"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#c-docs">C++ Docs</a><ul>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomindextypemapper-class">The <code class="docutils literal notranslate"><span class="pre">AtomIndexTypeMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomindextyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomtyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-atomvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-balancedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">BalancedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-callbackindextyper-class">The <code class="docutils literal notranslate"><span class="pre">CallbackIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-callbackvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">CallbackVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-cartesiangrid-class">The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-coordcache-class">The <code class="docutils literal notranslate"><span class="pre">CoordCache</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-coordinateset-class">The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-elementindextyper-class">The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-example-class">The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleextractor-class">The <code class="docutils literal notranslate"><span class="pre">ExampleExtractor</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleprovidersettings-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-exampleref-class">The <code class="docutils literal notranslate"><span class="pre">ExampleRef</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-examplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-fileatommapper-class">The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-filemappedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-filemappedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninaindextyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninaindextyper-info-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper::info</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gninavectortyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-grid-class">The <code class="docutils literal notranslate"><span class="pre">Grid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-gridmaker-class">The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-groupedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">GroupedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-managedgrid-class">The <code class="docutils literal notranslate"><span class="pre">ManagedGrid</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-managedgridbase-class">The <code class="docutils literal notranslate"><span class="pre">ManagedGridBase</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-mappedatomindextyper-class">The <code class="docutils literal notranslate"><span class="pre">MappedAtomIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-mgrid-buffer-data-class">The <code class="docutils literal notranslate"><span class="pre">mgrid_buffer_data</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-nullindextyper-class">The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-quaternion-class">The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-receptorstratifiedexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">ReceptorStratifiedExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-samplingexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">SamplingExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-stringcache-class">The <code class="docutils literal notranslate"><span class="pre">StringCache</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsetatommapper-class">The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsettedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-subsettedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedGninaTyper</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-transform-class">The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-uniformexamplerefprovider-class">The <code class="docutils literal notranslate"><span class="pre">UniformExampleRefProvider</span></code> class</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#the-valuestratifiedexamplerefprofider-class">The <code class="docutils literal notranslate"><span class="pre">ValueStratifiedExampleRefProfider</span></code> class</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#indices-and-tables">Indices and tables</a></li>
 </ul>
 </div>
 </section>
 <section id="c-docs">
-<h1>C++ Docs<a class="headerlink" href="#c-docs" title="Permalink to this headline"></a></h1>
+<h1>C++ Docs<a class="headerlink" href="#c-docs" title="Link to this heading"></a></h1>
 <section id="the-atomindextypemapper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTypeMapper</span></code> class<a class="headerlink" href="#the-atomindextypemapper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTypeMapper</span></code> class<a class="headerlink" href="#the-atomindextypemapper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19AtomIndexTypeMapperE">
-<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapperE"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapperE"></span><span id="libmolgrid::AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapperE"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapperE"></span><span id="libmolgrid::AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Base class for mapping between type indices. </p>
 <p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1FileAtomMapper"><span class="std std-ref">FileAtomMapper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1SubsetAtomMapper"><span class="std std-ref">SubsetAtomMapper</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv">
-<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv"></span><span id="libmolgrid::AtomIndexTypeMapper::AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv"></span><span id="libmolgrid::AtomIndexTypeMapper::AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapper19AtomIndexTypeMapperEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19AtomIndexTypeMapperD0Ev">
-<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapperD0Ev"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapperD0Ev"></span><span id="libmolgrid::AtomIndexTypeMapper::~AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomIndexTypeMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19AtomIndexTypeMapperD0Ev"></span><span id="_CPPv2N10libmolgrid19AtomIndexTypeMapperD0Ev"></span><span id="libmolgrid::AtomIndexTypeMapper::~AtomIndexTypeMapper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomIndexTypeMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19AtomIndexTypeMapper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper9num_typesEv"></span><span id="libmolgrid::AtomIndexTypeMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper9num_typesEv"></span><span id="libmolgrid::AtomIndexTypeMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of mapped types, zero if unknown (no mapping) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj">
-<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj"></span><span id="libmolgrid::AtomIndexTypeMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj"></span><span id="libmolgrid::AtomIndexTypeMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper12get_new_typeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>return mapped type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv"></span><span id="libmolgrid::AtomIndexTypeMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv"></span><span id="libmolgrid::AtomIndexTypeMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19AtomIndexTypeMapper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types </p>
 </dd></dl>
 
@@ -225,62 +126,62 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTy
 
 </section>
 <section id="the-atomindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTyper</span></code> class<a class="headerlink" href="#the-atomindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTyper</span></code> class<a class="headerlink" href="#the-atomindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14AtomIndexTyperE">
-<span id="_CPPv3N10libmolgrid14AtomIndexTyperE"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyperE"></span><span id="libmolgrid::AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14AtomIndexTyperE"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyperE"></span><span id="libmolgrid::AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Base class for generating numerical types along with atomic radius. </p>
-<p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1CallbackIndexTyper"><span class="std std-ref">CallbackIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1ElementIndexTyper"><span class="std std-ref">ElementIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1GninaIndexTyper"><span class="std std-ref">GninaIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; Mapper, Typer &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1NullIndexTyper"><span class="std std-ref">NullIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</span></a></p>
+<p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1CallbackIndexTyper"><span class="std std-ref">CallbackIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1ElementIndexTyper"><span class="std std-ref">ElementIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1GninaIndexTyper"><span class="std std-ref">GninaIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1MappedAtomIndexTyper"><span class="std std-ref">MappedAtomIndexTyper&lt; Mapper, Typer &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1NullIndexTyper"><span class="std std-ref">NullIndexTyper</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv">
-<span id="_CPPv3N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv"></span><span id="libmolgrid::AtomIndexTyper::AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv"></span><span id="libmolgrid::AtomIndexTyper::AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyper14AtomIndexTyperEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14AtomIndexTyperD0Ev">
-<span id="_CPPv3N10libmolgrid14AtomIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyperD0Ev"></span><span id="libmolgrid::AtomIndexTyper::~AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14AtomIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyperD0Ev"></span><span id="libmolgrid::AtomIndexTyper::~AtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper9num_typesEv"></span><span id="libmolgrid::AtomIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper9num_typesEv"></span><span id="libmolgrid::AtomIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a along with the apprioriate index </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper12get_int_typeEi"></span><span id="libmolgrid::AtomIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper12get_int_typeEi"></span><span id="libmolgrid::AtomIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper14get_type_namesEv"></span><span id="libmolgrid::AtomIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper14get_type_namesEv"></span><span id="libmolgrid::AtomIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::AtomIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::AtomIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14AtomIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid14AtomIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14AtomIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid14AtomIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14AtomIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -288,7 +189,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTy
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::AtomIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::AtomIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14AtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -296,52 +197,52 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">AtomIndexTy
 
 </section>
 <section id="the-atomtyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class<a class="headerlink" href="#the-atomtyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class<a class="headerlink" href="#the-atomtyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9AtomTyperE">
-<span id="_CPPv3N10libmolgrid9AtomTyperE"></span><span id="_CPPv2N10libmolgrid9AtomTyperE"></span><span id="libmolgrid::AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">AtomTyper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9AtomTyperE"></span><span id="_CPPv2N10libmolgrid9AtomTyperE"></span><span id="libmolgrid::AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomTyper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Base class for all atom typers. </p>
 <p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1AtomIndexTyper"><span class="std std-ref">AtomIndexTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1AtomVectorTyper"><span class="std std-ref">AtomVectorTyper</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9AtomTyper9AtomTyperEv">
-<span id="_CPPv3N10libmolgrid9AtomTyper9AtomTyperEv"></span><span id="_CPPv2N10libmolgrid9AtomTyper9AtomTyperEv"></span><span id="libmolgrid::AtomTyper::AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyper9AtomTyperEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9AtomTyper9AtomTyperEv"></span><span id="_CPPv2N10libmolgrid9AtomTyper9AtomTyperEv"></span><span id="libmolgrid::AtomTyper::AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyper9AtomTyperEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9AtomTyperD0Ev">
-<span id="_CPPv3N10libmolgrid9AtomTyperD0Ev"></span><span id="_CPPv2N10libmolgrid9AtomTyperD0Ev"></span><span id="libmolgrid::AtomTyper::~AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9AtomTyperD0Ev"></span><span id="_CPPv2N10libmolgrid9AtomTyperD0Ev"></span><span id="libmolgrid::AtomTyper::~AtomTyper"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9AtomTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid9AtomTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper9num_typesEv"></span><span id="libmolgrid::AtomTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper9num_typesEv"></span><span id="libmolgrid::AtomTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid9AtomTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid9AtomTyper12get_int_typeEi"></span><span id="libmolgrid::AtomTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid9AtomTyper12get_int_typeEi"></span><span id="libmolgrid::AtomTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid9AtomTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper14get_type_namesEv"></span><span id="libmolgrid::AtomTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper14get_type_namesEv"></span><span id="libmolgrid::AtomTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9AtomTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid9AtomTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9AtomTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid9AtomTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9AtomTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -349,60 +250,60 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</
 
 </section>
 <section id="the-atomvectortyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">AtomVectorTyper</span></code> class<a class="headerlink" href="#the-atomvectortyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">AtomVectorTyper</span></code> class<a class="headerlink" href="#the-atomvectortyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15AtomVectorTyperE">
-<span id="_CPPv3N10libmolgrid15AtomVectorTyperE"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyperE"></span><span id="libmolgrid::AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15AtomVectorTyperE"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyperE"></span><span id="libmolgrid::AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Base class for generating vector types. </p>
 <p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1CallbackVectorTyper"><span class="std std-ref">CallbackVectorTyper</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1GninaVectorTyper"><span class="std std-ref">GninaVectorTyper</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv">
-<span id="_CPPv3N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv"></span><span id="libmolgrid::AtomVectorTyper::AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv"></span><span id="libmolgrid::AtomVectorTyper::AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyper15AtomVectorTyperEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15AtomVectorTyperD0Ev">
-<span id="_CPPv3N10libmolgrid15AtomVectorTyperD0Ev"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyperD0Ev"></span><span id="libmolgrid::AtomVectorTyper::~AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15AtomVectorTyperD0Ev"></span><span id="_CPPv2N10libmolgrid15AtomVectorTyperD0Ev"></span><span id="libmolgrid::AtomVectorTyper::~AtomVectorTyper"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~AtomVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15AtomVectorTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper9num_typesEv"></span><span id="libmolgrid::AtomVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper9num_typesEv"></span><span id="libmolgrid::AtomVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::AtomVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::AtomVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd><p>set vector type of atom a, return radius </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::AtomVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::AtomVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper21get_vector_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return radii of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper14get_type_namesEv"></span><span id="libmolgrid::AtomVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper14get_type_namesEv"></span><span id="libmolgrid::AtomVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::AtomVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15AtomVectorTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid15AtomVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper12get_int_typeEi"></span><span id="libmolgrid::AtomVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15AtomVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid15AtomVectorTyper12get_int_typeEi"></span><span id="libmolgrid::AtomVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15AtomVectorTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -410,113 +311,113 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">AtomVectorT
 
 </section>
 <section id="the-balancedexamplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">BalancedExampleRefProvider</span></code> class<a class="headerlink" href="#the-balancedexamplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">BalancedExampleRefProvider</span></code> class<a class="headerlink" href="#the-balancedexamplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProviderE">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProviderE"></span><span id="libmolgrid::BalancedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProviderE"></span><span id="libmolgrid::BalancedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>sample uniformly from actives and decoys </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv"></span><span id="libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv"></span><span id="libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">BalancedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider26BalancedExampleRefProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider5setupEv"></span><span id="libmolgrid::BalancedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider5setupEv"></span><span id="libmolgrid::BalancedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider4sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider4sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider11num_activesEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider11num_activesEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider11num_activesEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_activesC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_actives</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider11num_activesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider11num_activesEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider11num_activesEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_activesC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_actives</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider11num_activesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_decoysC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_decoys</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv"></span><span id="libmolgrid::BalancedExampleRefProvider::num_decoysC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_decoys</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider10num_decoysEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::next_active__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_active</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::next_active__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_active</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider11next_activeER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::next_decoy__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_decoy</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef"></span><span id="libmolgrid::BalancedExampleRefProvider::next_decoy__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_decoy</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider10next_decoyER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::BalancedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider5resetEv"></span><span id="libmolgrid::BalancedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider5resetEv"></span><span id="libmolgrid::BalancedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::BalancedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::BalancedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::BalancedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::BalancedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::BalancedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::BalancedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::BalancedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::BalancedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::BalancedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::BalancedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26BalancedExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
@@ -525,22 +426,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">BalancedExa
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider7activesE">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7activesE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7activesE"></span><span id="libmolgrid::BalancedExampleRefProvider::actives__UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c3c599a57ae155012056d9db86ad08d"></span><a class="reference internal" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="libmolgrid::UniformExampleRefProvider"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">actives</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7activesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7activesE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7activesE"></span><span id="libmolgrid::BalancedExampleRefProvider::actives__UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c3c599a57ae155012056d9db86ad08d"></span><a class="reference internal" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="libmolgrid::UniformExampleRefProvider"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">actives</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7activesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider6decoysE">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider6decoysE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider6decoysE"></span><span id="libmolgrid::BalancedExampleRefProvider::decoys__UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a794ba353d3e0e644569a7178f94f2673"></span><a class="reference internal" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="libmolgrid::UniformExampleRefProvider"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">decoys</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider6decoysE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider6decoysE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider6decoysE"></span><span id="libmolgrid::BalancedExampleRefProvider::decoys__UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a794ba353d3e0e644569a7178f94f2673"></span><a class="reference internal" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="libmolgrid::UniformExampleRefProvider"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">decoys</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider6decoysE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider7currentE">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7currentE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7currentE"></span><span id="libmolgrid::BalancedExampleRefProvider::current__s"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7currentE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider7currentE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider7currentE"></span><span id="libmolgrid::BalancedExampleRefProvider::current__s"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider7currentE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26BalancedExampleRefProvider8labelposE">
-<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider8labelposE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider8labelposE"></span><span id="libmolgrid::BalancedExampleRefProvider::labelpos__unsigned"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae15d102ceae49cf5f3fd098f45df674b"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labelpos</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider8labelposE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26BalancedExampleRefProvider8labelposE"></span><span id="_CPPv2N10libmolgrid26BalancedExampleRefProvider8labelposE"></span><span id="libmolgrid::BalancedExampleRefProvider::labelpos__unsigned"></span><span class="target" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae15d102ceae49cf5f3fd098f45df674b"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labelpos</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26BalancedExampleRefProvider8labelposE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -548,16 +449,16 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">BalancedExa
 
 </section>
 <section id="the-callbackindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">CallbackIndexTyper</span></code> class<a class="headerlink" href="#the-callbackindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">CallbackIndexTyper</span></code> class<a class="headerlink" href="#the-callbackindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyperE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyperE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyperE"></span><span id="libmolgrid::CallbackIndexTyper"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyperE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyperE"></span><span id="libmolgrid::CallbackIndexTyper"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CallbackIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Use user-provided callback to do typing Must provide the number of types and their names. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">function</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n"><span class="pre">a</span></span><span class="p"><span class="pre">)</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">function</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n"><span class="pre">a</span></span><span class="p"><span class="pre">)</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -565,48 +466,48 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackInd
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackIndexTyper::CallbackIndexTyper__AtomIndexTyperFunc.unsigned.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361"></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackIndexTyper</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">f</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackIndexTyper::CallbackIndexTyper__AtomIndexTyperFunc.unsigned.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361"></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackIndexTyper</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">f</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18CallbackIndexTyperE18AtomIndexTyperFuncjRKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>iniitalize callbacktyper, if names are not provided, numerical names will be generated </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper9num_typesEv"></span><span id="libmolgrid::CallbackIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper9num_typesEv"></span><span id="libmolgrid::CallbackIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::CallbackIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::CallbackIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper12get_int_typeEi"></span><span id="libmolgrid::CallbackIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper12get_int_typeEi"></span><span id="libmolgrid::CallbackIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper14get_type_namesEv"></span><span id="libmolgrid::CallbackIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper14get_type_namesEv"></span><span id="libmolgrid::CallbackIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::CallbackIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::CallbackIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::CallbackIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::CallbackIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::CallbackIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::CallbackIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18CallbackIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -614,7 +515,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackInd
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -622,17 +523,17 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackInd
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper8callbackE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper8callbackE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper8callbackE"></span><span id="libmolgrid::CallbackIndexTyper::callback__AtomIndexTyperFunc"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a85777d903c8f114355617b3370b7903f"></span><a class="reference internal" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">callback</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper8callbackE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper8callbackE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper8callbackE"></span><span id="libmolgrid::CallbackIndexTyper::callback__AtomIndexTyperFunc"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a85777d903c8f114355617b3370b7903f"></span><a class="reference internal" href="#_CPPv4N10libmolgrid18CallbackIndexTyper18AtomIndexTyperFuncE" title="libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc"><span class="n"><span class="pre">AtomIndexTyperFunc</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">callback</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper8callbackE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper10type_namesE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper10type_namesE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper10type_namesE"></span><span id="libmolgrid::CallbackIndexTyper::type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a358563efd1eb0ca5cafa36f3891b6c1d"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper10type_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper10type_namesE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper10type_namesE"></span><span id="libmolgrid::CallbackIndexTyper::type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a358563efd1eb0ca5cafa36f3891b6c1d"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper10type_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18CallbackIndexTyper14default_radiusE">
-<span id="_CPPv3N10libmolgrid18CallbackIndexTyper14default_radiusE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper14default_radiusE"></span><span id="libmolgrid::CallbackIndexTyper::default_radius__floatC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a7b801ee2a06101cb9459999adc6def0f"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_radius</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.6</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper14default_radiusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18CallbackIndexTyper14default_radiusE"></span><span id="_CPPv2N10libmolgrid18CallbackIndexTyper14default_radiusE"></span><span id="libmolgrid::CallbackIndexTyper::default_radius__floatC"></span><span class="target" id="classlibmolgrid_1_1CallbackIndexTyper_1a7b801ee2a06101cb9459999adc6def0f"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_radius</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.6</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18CallbackIndexTyper14default_radiusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -640,16 +541,16 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackInd
 
 </section>
 <section id="the-callbackvectortyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">CallbackVectorTyper</span></code> class<a class="headerlink" href="#the-callbackvectortyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">CallbackVectorTyper</span></code> class<a class="headerlink" href="#the-callbackvectortyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19CallbackVectorTyperE">
-<span id="_CPPv3N10libmolgrid19CallbackVectorTyperE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyperE"></span><span id="libmolgrid::CallbackVectorTyper"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="libmolgrid::AtomVectorTyper"><span class="n"><span class="pre">AtomVectorTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19CallbackVectorTyperE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyperE"></span><span id="libmolgrid::CallbackVectorTyper"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CallbackVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="libmolgrid::AtomVectorTyper"><span class="n"><span class="pre">AtomVectorTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Use user-provided callback to do vector typing Must provide the number of types and their names. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE">
-<span id="_CPPv3N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">function</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n"><span class="pre">a</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&amp;</span></span><span class="p"><span class="pre">)</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">function</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n"><span class="pre">a</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&amp;</span></span><span class="p"><span class="pre">)</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -657,46 +558,46 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackVec
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackVectorTyper::CallbackVectorTyper__AtomVectorTyperFunc.unsigned.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a"></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackVectorTyper</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">f</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::CallbackVectorTyper::CallbackVectorTyper__AtomVectorTyperFunc.unsigned.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a"></span><span class="sig-name descname"><span class="n"><span class="pre">CallbackVectorTyper</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">f</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19CallbackVectorTyperE19AtomVectorTyperFuncjRKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>iniitalize callbacktyper, if names are not provided, numerical names will be generated </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper9num_typesEv"></span><span id="libmolgrid::CallbackVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper9num_typesEv"></span><span id="libmolgrid::CallbackVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::CallbackVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::CallbackVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd><p>set type vector and return radius for a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper14get_type_namesEv"></span><span id="libmolgrid::CallbackVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper14get_type_namesEv"></span><span id="libmolgrid::CallbackVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::CallbackVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::CallbackVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::CallbackVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::CallbackVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper21get_vector_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return radii of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::CallbackVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::CallbackVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19CallbackVectorTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper12get_int_typeEi"></span><span id="libmolgrid::CallbackVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19CallbackVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid19CallbackVectorTyper12get_int_typeEi"></span><span id="libmolgrid::CallbackVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19CallbackVectorTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -704,12 +605,12 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackVec
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19CallbackVectorTyper8callbackE">
-<span id="_CPPv3N10libmolgrid19CallbackVectorTyper8callbackE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper8callbackE"></span><span id="libmolgrid::CallbackVectorTyper::callback__AtomVectorTyperFunc"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1afa96bcb44aab706b33c2456eb454eccf"></span><a class="reference internal" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">callback</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper8callbackE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19CallbackVectorTyper8callbackE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper8callbackE"></span><span id="libmolgrid::CallbackVectorTyper::callback__AtomVectorTyperFunc"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1afa96bcb44aab706b33c2456eb454eccf"></span><a class="reference internal" href="#_CPPv4N10libmolgrid19CallbackVectorTyper19AtomVectorTyperFuncE" title="libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc"><span class="n"><span class="pre">AtomVectorTyperFunc</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">callback</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper8callbackE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19CallbackVectorTyper10type_namesE">
-<span id="_CPPv3N10libmolgrid19CallbackVectorTyper10type_namesE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper10type_namesE"></span><span id="libmolgrid::CallbackVectorTyper::type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a358563efd1eb0ca5cafa36f3891b6c1d"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper10type_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19CallbackVectorTyper10type_namesE"></span><span id="_CPPv2N10libmolgrid19CallbackVectorTyper10type_namesE"></span><span id="libmolgrid::CallbackVectorTyper::type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1CallbackVectorTyper_1a358563efd1eb0ca5cafa36f3891b6c1d"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19CallbackVectorTyper10type_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -717,62 +618,62 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CallbackVec
 
 </section>
 <section id="the-cartesiangrid-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class<a class="headerlink" href="#the-cartesiangrid-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class<a class="headerlink" href="#the-cartesiangrid-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid13CartesianGridE">
-<span id="_CPPv3I0EN10libmolgrid13CartesianGridE"></span><span id="_CPPv2I0EN10libmolgrid13CartesianGridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">G</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1CartesianGrid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">CartesianGrid</span></span></span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid13CartesianGridE"></span><span id="_CPPv2I0EN10libmolgrid13CartesianGridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">G</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1CartesianGrid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CartesianGrid</span></span></span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="Link to this definition"></a><br /></dt>
 <dd><p>Wrapper around grid of type G that imposes Cartesian coordinates. Includes center and resolution and supports (eventually) interpolation. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f">
-<span id="_CPPv3N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f"></span><span id="_CPPv2N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f"></span><span id="libmolgrid::CartesianGrid::CartesianGrid__GCR.float3.float"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CartesianGrid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">g</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f"></span><span id="_CPPv2N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f"></span><span id="libmolgrid::CartesianGrid::CartesianGrid__GCR.float3.float"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CartesianGrid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">g</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid13CartesianGridERK1G6float3f" title="Link to this definition"></a><br /></dt>
 <dd><p>Initialize <a class="reference internal" href="#classlibmolgrid_1_1CartesianGrid"><span class="std std-ref">CartesianGrid</span></a>. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGridD0Ev">
-<span id="_CPPv3N10libmolgrid13CartesianGridD0Ev"></span><span id="_CPPv2N10libmolgrid13CartesianGridD0Ev"></span><span id="libmolgrid::CartesianGrid::~CartesianGrid"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a06b7c8c6d4403b1427e3f8f148984d6a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~CartesianGrid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGridD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGridD0Ev"></span><span id="_CPPv2N10libmolgrid13CartesianGridD0Ev"></span><span id="libmolgrid::CartesianGrid::~CartesianGrid"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a06b7c8c6d4403b1427e3f8f148984d6a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~CartesianGrid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGridD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid6centerEv">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid6centerEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid6centerEv"></span><span id="libmolgrid::CartesianGrid::centerC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid6centerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid6centerEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid6centerEv"></span><span id="libmolgrid::CartesianGrid::centerC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid6centerEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return center of grid </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid10resolutionEv">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid10resolutionEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid10resolutionEv"></span><span id="libmolgrid::CartesianGrid::resolutionC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a90680a3e9859cab288318701395f6443"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resolution</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid10resolutionEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid10resolutionEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid10resolutionEv"></span><span id="libmolgrid::CartesianGrid::resolutionC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a90680a3e9859cab288318701395f6443"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resolution</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid10resolutionEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return resolution of grid </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid4gridEv">
-<span id="_CPPv3N10libmolgrid13CartesianGrid4gridEv"></span><span id="_CPPv2N10libmolgrid13CartesianGrid4gridEv"></span><span id="libmolgrid::CartesianGrid::grid"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a101b62301de9d0e1cab373ae5a1aa9f0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid4gridEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid4gridEv"></span><span id="_CPPv2N10libmolgrid13CartesianGrid4gridEv"></span><span id="libmolgrid::CartesianGrid::grid"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid4gridEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return underlying grid </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid4gridEv">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid4gridEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid4gridEv"></span><span id="libmolgrid::CartesianGrid::gridC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid4gridEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid4gridEv"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid4gridEv"></span><span id="libmolgrid::CartesianGrid::gridC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid4gridEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid9cart2gridEfff">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid9cart2gridEfff"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid9cart2gridEfff"></span><span id="libmolgrid::CartesianGrid::cart2grid__float.float.floatC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cart2grid</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid9cart2gridEfff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid9cart2gridEfff"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid9cart2gridEfff"></span><span id="libmolgrid::CartesianGrid::cart2grid__float.float.floatC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cart2grid</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid9cart2gridEfff" title="Link to this definition"></a><br /></dt>
 <dd><p>return grid coordinates (not rounded) for Cartesian coordinates </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid9grid2cartEjjj">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid9grid2cartEjjj"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid9grid2cartEjjj"></span><span id="libmolgrid::CartesianGrid::grid2cart__unsigned.unsigned.unsignedC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">grid2cart</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">j</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">k</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid9grid2cartEjjj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid9grid2cartEjjj"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid9grid2cartEjjj"></span><span id="libmolgrid::CartesianGrid::grid2cart__unsigned.unsigned.unsignedC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">grid2cart</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">j</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">k</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid9grid2cartEjjj" title="Link to this definition"></a><br /></dt>
 <dd><p>return Cartesian coordinates of provided grid position </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CartesianGrid11interpolateE6size_tfff">
-<span id="_CPPv3NK10libmolgrid13CartesianGrid11interpolateE6size_tfff"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid11interpolateE6size_tfff"></span><span id="libmolgrid::CartesianGrid::interpolate__s.float.float.floatC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">interpolate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">channel</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid11interpolateE6size_tfff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CartesianGrid11interpolateE6size_tfff"></span><span id="_CPPv2NK10libmolgrid13CartesianGrid11interpolateE6size_tfff"></span><span id="libmolgrid::CartesianGrid::interpolate__s.float.float.floatC"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">interpolate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">channel</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CartesianGrid11interpolateE6size_tfff" title="Link to this definition"></a><br /></dt>
 <dd><p>return linear interpolation of value at specify position </p>
 </dd></dl>
 
@@ -781,27 +682,27 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CartesianGr
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid5grid_E">
-<span id="_CPPv3N10libmolgrid13CartesianGrid5grid_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid5grid_E"></span><span id="libmolgrid::CartesianGrid::grid___G"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1ad4d137a96ea58935d427760ad6b28742"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">grid_</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid5grid_E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid5grid_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid5grid_E"></span><span id="libmolgrid::CartesianGrid::grid___G"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1ad4d137a96ea58935d427760ad6b28742"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CartesianGridE" title="libmolgrid::CartesianGrid::G"><span class="n"><span class="pre">G</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">grid_</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid5grid_E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid10dimensionsE">
-<span id="_CPPv3N10libmolgrid13CartesianGrid10dimensionsE"></span><span id="_CPPv2N10libmolgrid13CartesianGrid10dimensionsE"></span><span id="libmolgrid::CartesianGrid::dimensions__sA"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a546c29bca4900c88a8e3274a4cc56664"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="p"><span class="pre">[</span></span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid10dimensionsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid10dimensionsE"></span><span id="_CPPv2N10libmolgrid13CartesianGrid10dimensionsE"></span><span id="libmolgrid::CartesianGrid::dimensions__sA"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a546c29bca4900c88a8e3274a4cc56664"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="p"><span class="pre">[</span></span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid10dimensionsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid7center_E">
-<span id="_CPPv3N10libmolgrid13CartesianGrid7center_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid7center_E"></span><span id="libmolgrid::CartesianGrid::center___float3"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a99accc8fa8fe9f2b1b71b26d2c133979"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid7center_E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid7center_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid7center_E"></span><span id="libmolgrid::CartesianGrid::center___float3"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a99accc8fa8fe9f2b1b71b26d2c133979"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid7center_E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid7origin_E">
-<span id="_CPPv3N10libmolgrid13CartesianGrid7origin_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid7origin_E"></span><span id="libmolgrid::CartesianGrid::origin___float3"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a622682dd155a8ca7b848248f8c8b8728"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">origin_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid7origin_E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid7origin_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid7origin_E"></span><span id="libmolgrid::CartesianGrid::origin___float3"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a622682dd155a8ca7b848248f8c8b8728"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">origin_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid7origin_E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CartesianGrid11resolution_E">
-<span id="_CPPv3N10libmolgrid13CartesianGrid11resolution_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid11resolution_E"></span><span id="libmolgrid::CartesianGrid::resolution___float"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a187648938394eeb3cd86f9a4ce13eeea"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resolution_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid11resolution_E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CartesianGrid11resolution_E"></span><span id="_CPPv2N10libmolgrid13CartesianGrid11resolution_E"></span><span id="libmolgrid::CartesianGrid::resolution___float"></span><span class="target" id="classlibmolgrid_1_1CartesianGrid_1a187648938394eeb3cd86f9a4ce13eeea"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resolution_</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CartesianGrid11resolution_E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -809,35 +710,35 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CartesianGr
 
 </section>
 <section id="the-coordcache-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache</span></code> class<a class="headerlink" href="#the-coordcache-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache</span></code> class<a class="headerlink" href="#the-coordcache-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCacheE">
-<span id="_CPPv3N10libmolgrid10CoordCacheE"></span><span id="_CPPv2N10libmolgrid10CoordCacheE"></span><span id="libmolgrid::CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCacheE"></span><span id="_CPPv2N10libmolgrid10CoordCacheE"></span><span id="libmolgrid::CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCacheE" title="Link to this definition"></a><br /></dt>
 <dd><p>Load and cache molecular coordinates and atom types. </p>
 <p>Precalculated molcache2 files are supported and are memory mapped for efficient memory usage when running multiple training runs. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache10CoordCacheEv">
-<span id="_CPPv3N10libmolgrid10CoordCache10CoordCacheEv"></span><span id="_CPPv2N10libmolgrid10CoordCache10CoordCacheEv"></span><span id="libmolgrid::CoordCache::CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10CoordCacheEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache10CoordCacheEv"></span><span id="_CPPv2N10libmolgrid10CoordCache10CoordCacheEv"></span><span id="libmolgrid::CoordCache::CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10CoordCacheEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE">
-<span id="_CPPv3N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE"></span><span id="libmolgrid::CoordCache::CoordCache__std::shared_ptr:AtomTyper:.ExampleProviderSettingsCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">mc</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><s><span class="pre">&quot;&quot;</span></s><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE"></span><span id="libmolgrid::CoordCache::CoordCache__std::shared_ptr:AtomTyper:.ExampleProviderSettingsCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordCache</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">mc</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;&quot;</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10CoordCacheENSt10shared_ptrI9AtomTyperEERK23ExampleProviderSettingsRKNSt6stringE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCacheD0Ev">
-<span id="_CPPv3N10libmolgrid10CoordCacheD0Ev"></span><span id="_CPPv2N10libmolgrid10CoordCacheD0Ev"></span><span id="libmolgrid::CoordCache::~CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~CoordCache</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCacheD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCacheD0Ev"></span><span id="_CPPv2N10libmolgrid10CoordCacheD0Ev"></span><span id="libmolgrid::CoordCache::~CoordCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~CoordCache</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCacheD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet">
-<span id="_CPPv3N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet"></span><span id="_CPPv2N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet"></span><span id="libmolgrid::CoordCache::set_coords__cCP.CoordinateSetR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_coords</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet"></span><span id="_CPPv2N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet"></span><span id="libmolgrid::CoordCache::set_coords__cCP.CoordinateSetR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_coords</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache10set_coordsEPKcR13CoordinateSet" title="Link to this definition"></a><br /></dt>
 <dd><p>Set coord to the appropriate <a class="reference internal" href="#structlibmolgrid_1_1CoordinateSet"><span class="std std-ref">CoordinateSet</span></a> for fname. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>fname</strong> – <strong>[in]</strong> file name, not including root directory prefix, of molecular data </p></li>
 <li><p><strong>coord</strong> – <strong>[out]</strong> <a class="reference internal" href="#structlibmolgrid_1_1CoordinateSet"><span class="std std-ref">CoordinateSet</span></a> for passed molecule </p></li>
@@ -848,13 +749,62 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache<
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10CoordCache9num_typesEv">
-<span id="_CPPv3NK10libmolgrid10CoordCache9num_typesEv"></span><span id="_CPPv2NK10libmolgrid10CoordCache9num_typesEv"></span><span id="libmolgrid::CoordCache::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10CoordCache9num_typesEv"></span><span id="_CPPv2NK10libmolgrid10CoordCache9num_typesEv"></span><span id="libmolgrid::CoordCache::num_typesC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return the number of types (channels) each example will have </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10CoordCache14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid10CoordCache14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid10CoordCache14get_type_namesEv"></span><span id="libmolgrid::CoordCache::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10CoordCache14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid10CoordCache14get_type_namesEv"></span><span id="libmolgrid::CoordCache::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache14get_type_namesEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERNSt7ostreamE">
+<span id="_CPPv3NK10libmolgrid10CoordCache14save_mem_cacheERNSt7ostreamE"></span><span id="_CPPv2NK10libmolgrid10CoordCache14save_mem_cacheERNSt7ostreamE"></span><span id="libmolgrid::CoordCache::save_mem_cache__osRC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_cache</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">ostream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERNSt7ostreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory cache to provided output stream. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>out</strong> – <strong>[in]</strong> output stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERKNSt6stringE">
+<span id="_CPPv3NK10libmolgrid10CoordCache14save_mem_cacheERKNSt6stringE"></span><span id="_CPPv2NK10libmolgrid10CoordCache14save_mem_cacheERKNSt6stringE"></span><span id="libmolgrid::CoordCache::save_mem_cache__ssCRC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_cache</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache14save_mem_cacheERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory cache to provided file. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERNSt7istreamE">
+<span id="_CPPv3N10libmolgrid10CoordCache14load_mem_cacheERNSt7istreamE"></span><span id="_CPPv2N10libmolgrid10CoordCache14load_mem_cacheERNSt7istreamE"></span><span id="libmolgrid::CoordCache::load_mem_cache__isR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_cache</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERNSt7istreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of input stream into memory cache. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>in</strong> – <strong>[in]</strong> input stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERKNSt6stringE">
+<span id="_CPPv3N10libmolgrid10CoordCache14load_mem_cacheERKNSt6stringE"></span><span id="_CPPv2N10libmolgrid10CoordCache14load_mem_cacheERKNSt6stringE"></span><span id="libmolgrid::CoordCache::load_mem_cache__ssCR"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_cache</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache14load_mem_cacheERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of provided file into memory cache. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10CoordCache14mem_cache_sizeEv">
+<span id="_CPPv3NK10libmolgrid10CoordCache14mem_cache_sizeEv"></span><span id="_CPPv2NK10libmolgrid10CoordCache14mem_cache_sizeEv"></span><span id="libmolgrid::CoordCache::mem_cache_sizeC"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mem_cache_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10CoordCache14mem_cache_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -862,7 +812,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache<
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-types">Private Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache8MemCacheE">
-<span id="_CPPv3N10libmolgrid10CoordCache8MemCacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8MemCacheE"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a26079d27843c58af8220e0d5d49e4056"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">MemCache</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8MemCacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache8MemCacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8MemCacheE"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a353a0b494afe224341d8e89354d896e6"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">MemCache</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8MemCacheE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -870,49 +820,49 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache<
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache8memcacheE">
-<span id="_CPPv3N10libmolgrid10CoordCache8memcacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8memcacheE"></span><span id="libmolgrid::CoordCache::memcache__MemCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a5e74f976e6402517f21467ce965bd5ef"></span><a class="reference internal" href="#_CPPv4N10libmolgrid10CoordCache8MemCacheE" title="libmolgrid::CoordCache::MemCache"><span class="n"><span class="pre">MemCache</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">memcache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8memcacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache8memcacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8memcacheE"></span><span id="libmolgrid::CoordCache::memcache__MemCache"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a5e74f976e6402517f21467ce965bd5ef"></span><a class="reference internal" href="#_CPPv4N10libmolgrid10CoordCache8MemCacheE" title="libmolgrid::CoordCache::MemCache"><span class="n"><span class="pre">MemCache</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">memcache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8memcacheE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache5typerE">
-<span id="_CPPv3N10libmolgrid10CoordCache5typerE"></span><span id="_CPPv2N10libmolgrid10CoordCache5typerE"></span><span id="libmolgrid::CoordCache::typer__std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1af489b1d6f17e2bd12442449d6b0ca3bd"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">typer</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache5typerE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache5typerE"></span><span id="_CPPv2N10libmolgrid10CoordCache5typerE"></span><span id="libmolgrid::CoordCache::typer__std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1af489b1d6f17e2bd12442449d6b0ca3bd"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">typer</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache5typerE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache9data_rootE">
-<span id="_CPPv3N10libmolgrid10CoordCache9data_rootE"></span><span id="_CPPv2N10libmolgrid10CoordCache9data_rootE"></span><span id="libmolgrid::CoordCache::data_root__ss"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1abb743f7f7739cfa25cddacf8af4e88ad"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">data_root</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9data_rootE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache9data_rootE"></span><span id="_CPPv2N10libmolgrid10CoordCache9data_rootE"></span><span id="libmolgrid::CoordCache::data_root__ss"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1abb743f7f7739cfa25cddacf8af4e88ad"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">data_root</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9data_rootE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache8molcacheE">
-<span id="_CPPv3N10libmolgrid10CoordCache8molcacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8molcacheE"></span><span id="libmolgrid::CoordCache::molcache__ss"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ac78c3236bcb6d2c440bb97dc8b24f22e"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">molcache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8molcacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache8molcacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache8molcacheE"></span><span id="libmolgrid::CoordCache::molcache__ss"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ac78c3236bcb6d2c440bb97dc8b24f22e"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">molcache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache8molcacheE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache9use_cacheE">
-<span id="_CPPv3N10libmolgrid10CoordCache9use_cacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache9use_cacheE"></span><span id="libmolgrid::CoordCache::use_cache__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ae7232526e932edeec381ff9ec2eae547"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_cache</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9use_cacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache9use_cacheE"></span><span id="_CPPv2N10libmolgrid10CoordCache9use_cacheE"></span><span id="libmolgrid::CoordCache::use_cache__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ae7232526e932edeec381ff9ec2eae547"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_cache</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9use_cacheE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache4addhE">
-<span id="_CPPv3N10libmolgrid10CoordCache4addhE"></span><span id="_CPPv2N10libmolgrid10CoordCache4addhE"></span><span id="libmolgrid::CoordCache::addh__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1acbd9d097d09a1b9a03e798011313ca03"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addh</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache4addhE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache4addhE"></span><span id="_CPPv2N10libmolgrid10CoordCache4addhE"></span><span id="libmolgrid::CoordCache::addh__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1acbd9d097d09a1b9a03e798011313ca03"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addh</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache4addhE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache17make_vector_typesE">
-<span id="_CPPv3N10libmolgrid10CoordCache17make_vector_typesE"></span><span id="_CPPv2N10libmolgrid10CoordCache17make_vector_typesE"></span><span id="libmolgrid::CoordCache::make_vector_types__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1aea8c668320e357453dc83820f452c993"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache17make_vector_typesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache17make_vector_typesE"></span><span id="_CPPv2N10libmolgrid10CoordCache17make_vector_typesE"></span><span id="libmolgrid::CoordCache::make_vector_types__b"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1aea8c668320e357453dc83820f452c993"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache17make_vector_typesE" title="Link to this definition"></a><br /></dt>
 <dd><p>protonate </p>
 </dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache9cache_mapE">
-<span id="_CPPv3N10libmolgrid10CoordCache9cache_mapE"></span><span id="_CPPv2N10libmolgrid10CoordCache9cache_mapE"></span><span id="libmolgrid::CoordCache::cache_map__boost::iostreams::mapped_file_source"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1aa6ddc769fa0c9b0505306497a9421d5b"></span><span class="n"><span class="pre">boost</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">iostreams</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">mapped_file_source</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cache_map</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9cache_mapE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache9cache_mapE"></span><span id="_CPPv2N10libmolgrid10CoordCache9cache_mapE"></span><span id="libmolgrid::CoordCache::cache_map__boost::iostreams::mapped_file_source"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1aa6ddc769fa0c9b0505306497a9421d5b"></span><span class="n"><span class="pre">boost</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">iostreams</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">mapped_file_source</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cache_map</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache9cache_mapE" title="Link to this definition"></a><br /></dt>
 <dd><p>convert index types to vector, will also convert to type based radii and add a dummy type </p>
 </dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10CoordCache7offsetsE">
-<span id="_CPPv3N10libmolgrid10CoordCache7offsetsE"></span><span id="_CPPv2N10libmolgrid10CoordCache7offsetsE"></span><span id="libmolgrid::CoordCache::offsets__std::unordered_map:cCP.s:"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1a67d8a5ef81433ec9e7406661d0cfb85f"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache7offsetsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10CoordCache7offsetsE"></span><span id="_CPPv2N10libmolgrid10CoordCache7offsetsE"></span><span id="libmolgrid::CoordCache::offsets__std::unordered_map:cCP.s:"></span><span class="target" id="classlibmolgrid_1_1CoordCache_1ad0fa9a24424779115ba16fd14c626c00"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10CoordCache7offsetsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -920,106 +870,106 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CoordCache<
 
 </section>
 <section id="the-coordinateset-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class<a class="headerlink" href="#the-coordinateset-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class<a class="headerlink" href="#the-coordinateset-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSetE">
-<span id="_CPPv3N10libmolgrid13CoordinateSetE"></span><span id="_CPPv2N10libmolgrid13CoordinateSetE"></span><span id="libmolgrid::CoordinateSet"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSetE"></span><span id="_CPPv2N10libmolgrid13CoordinateSetE"></span><span id="libmolgrid::CoordinateSet"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="Link to this definition"></a><br /></dt>
 <dd><p>A collection of typed atomic coordinates. </p>
 <p>Types may be specified either as an index or a dense vector. Typically, only one type formated will be initialized although a vector one-hot encoding of an index type can be created. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEv">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEv"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEv"></span><span id="libmolgrid::CoordinateSet::CoordinateSet"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEv"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEv"></span><span id="libmolgrid::CoordinateSet::CoordinateSet"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>source (filename) of coordinates, if available </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__OpenBabel::OBMolP.AtomTyperCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a719045b5fd0daf9c088757c8fc472faa"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBMol</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">mol</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typer</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__OpenBabel::OBMolP.AtomTyperCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a719045b5fd0daf9c088757c8fc472faa"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBMol</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">mol</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typer</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolERK9AtomTyper" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize with obmol </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__OpenBabel::OBMolP"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBMol</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">mol</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__OpenBabel::OBMolP"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBMol</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">mol</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetEPN9OpenBabel5OBMolE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:i:CR.std::vector:float:CR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:i:CR.std::vector:float:CR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIiEERKNSt6vectorIfEEj" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize with indexed types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:float:CR.std::vector:float:CR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:float:CR.std::vector:float:CR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorIfEERKNSt6vectorIfEEj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCR.Grid1fCR.Grid1fCR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCR.Grid1fCR.Grid1fCR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid1fRK6Grid1fj" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize with indexed types using grids - data is copied into coordinate set </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCUDACR.Grid1fCUDACR.Grid1fCUDACR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCUDACR.Grid1fCUDACR.Grid1fCUDACR.unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid1fCUDARK10Grid1fCUDAj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:std::vector:float::CR.std::vector:float:CR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__std::vector:float3:CR.std::vector:std::vector:float::CR.std::vector:float:CR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERKNSt6vectorI6float3EERKNSt6vectorINSt6vectorIfEEEERKNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize with vector types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCR.Grid2fCR.Grid1fCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">cr</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCR.Grid2fCR.Grid1fCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">cr</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK6Grid2fRK6Grid2fRK6Grid1f" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize with vector types using grids - data is copied into coordinate set </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCUDACR.Grid2fCUDACR.Grid1fCUDACR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">cr</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__Grid2fCUDACR.Grid2fCUDACR.Grid1fCUDACR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">cr</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid2fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1fCUDA</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK10Grid2fCUDARK10Grid2fCUDARK10Grid1fCUDA" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__CoordinateSetCR.CoordinateSetCR.b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="libmolgrid::CoordinateSet::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rec</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="libmolgrid::CoordinateSet::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lig</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb"></span><span id="libmolgrid::CoordinateSet::CoordinateSet__CoordinateSetCR.CoordinateSetCR.b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265"></span><span class="sig-name descname"><span class="n"><span class="pre">CoordinateSet</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="libmolgrid::CoordinateSet::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rec</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="libmolgrid::CoordinateSet::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lig</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13CoordinateSetERK13CoordinateSetRK13CoordinateSetb" title="Link to this definition"></a><br /></dt>
 <dd><p>create coordinate set from the merger of two coordinate sets if unique_index_types, the index types of the second are offset </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE">
-<span id="_CPPv3I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfX2E6isCUDAER4GridIfX1E6isCUDAER4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfX2E6isCUDAER4GridIfX1E6isCUDAER4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAER4GridIfXL1EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>Copy coordinates into provided grids. If grids are too small, copy will be truncated. If grids are too large, extra elements will <em>not</em> be overwritten (fill with pad characters before copying). Returns the number of coordinates copied. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE">
-<span id="_CPPv3I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfX2E6isCUDAER4GridIfX2E6isCUDAER4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid13CoordinateSet6copyToER4GridIfX2E6isCUDAER4GridIfX2E6isCUDAER4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">c</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">t</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="libmolgrid::CoordinateSet::copyTo::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid13CoordinateSet6copyToE6size_tR4GridIfXL2EE6isCUDAER4GridIfXL2EE6isCUDAER4GridIfXL1EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>Copy coordinates into provided grids. If grids are too small, copy will be truncated. If grids are too large, extra elements will <em>not</em> be overwritten (fill with pad characters before copying). Returns the number of coordinates copied. Vectored types are copied a row at a time so truncation/expansion happens per-atom. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet17has_indexed_typesEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet17has_indexed_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet17has_indexed_typesEv"></span><span id="libmolgrid::CoordinateSet::has_indexed_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_indexed_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet17has_indexed_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet17has_indexed_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet17has_indexed_typesEv"></span><span id="libmolgrid::CoordinateSet::has_indexed_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_indexed_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet17has_indexed_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return true if index types are available (or no atoms) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet16has_vector_typesEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet16has_vector_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet16has_vector_typesEv"></span><span id="libmolgrid::CoordinateSet::has_vector_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_vector_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet16has_vector_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet16has_vector_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet16has_vector_typesEv"></span><span id="libmolgrid::CoordinateSet::has_vector_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_vector_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet16has_vector_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return true if vector types are available (or no atoms) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE"></span><span id="libmolgrid::CoordinateSet::make_vector_types__b.std::vector:float:CR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_dummy_type</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_radii</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE"></span><span id="libmolgrid::CoordinateSet::make_vector_types__b.std::vector:float:CR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_dummy_type</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_radii</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet17make_vector_typesEbRKNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd><p>convert index types to vector types in-place </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>include_dummy_type</strong> – - if true will create an additional type at end (has zero radii if type radii are provided is true) </p></li>
 <li><p><strong>type_radii</strong> – - if provided, convert radii array to be type indexed, </p></li>
@@ -1030,179 +980,192 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet9num_typesEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet9num_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9num_typesEv"></span><span id="libmolgrid::CoordinateSet::num_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet9num_typesEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9num_typesEv"></span><span id="libmolgrid::CoordinateSet::num_typesC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet13set_num_typesEj">
-<span id="_CPPv3N10libmolgrid13CoordinateSet13set_num_typesEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13set_num_typesEj"></span><span id="libmolgrid::CoordinateSet::set_num_types__unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_num_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13set_num_typesEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet13set_num_typesEj"></span><span id="_CPPv2N10libmolgrid13CoordinateSet13set_num_typesEj"></span><span id="libmolgrid::CoordinateSet::set_num_types__unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_num_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxt</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet13set_num_typesEj" title="Link to this definition"></a><br /></dt>
 <dd><p>set number of (indexed) types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL0EEEb">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL0EEEb"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9sum_typesER4GridIfX1EXfalseEEb"></span><span id="libmolgrid::CoordinateSet::sum_types__Grid:float.1.false:R.bC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">zerofirst</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL0EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL0EEEb"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9sum_typesER4GridIfX1EXfalseEEb"></span><span id="libmolgrid::CoordinateSet::sum_types__Grid:float.1.false:R.bC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">zerofirst</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL0EEEb" title="Link to this definition"></a><br /></dt>
 <dd><p>compute the sum of each type class across vector types for this set, if zerofirst is false, add to existing elements of sum </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL1EEEb">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL1EEEb"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9sum_typesER4GridIfX1EXtrueEEb"></span><span id="libmolgrid::CoordinateSet::sum_types__Grid:float.1.true:R.bC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1abdefa3470ca1e88655974b3f462e2c4a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">zerofirst</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL1EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL1EEEb"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet9sum_typesER4GridIfX1EXtrueEEb"></span><span id="libmolgrid::CoordinateSet::sum_types__Grid:float.1.true:R.bC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1abdefa3470ca1e88655974b3f462e2c4a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">zerofirst</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet9sum_typesER4GridIfXL1EEXL1EEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet4sizeEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet4sizeEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet4sizeEv"></span><span id="libmolgrid::CoordinateSet::sizeC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet4sizeEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet4sizeEv"></span><span id="libmolgrid::CoordinateSet::sizeC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>number of atoms </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet6centerEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet6centerEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet6centerEv"></span><span id="libmolgrid::CoordinateSet::centerC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet6centerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet6centerEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet6centerEv"></span><span id="libmolgrid::CoordinateSet::centerC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet6centerEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return mean of coordinates </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet5togpuEb">
-<span id="_CPPv3N10libmolgrid13CoordinateSet5togpuEb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5togpuEb"></span><span id="libmolgrid::CoordinateSet::togpu__b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">copy</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5togpuEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet5togpuEb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5togpuEb"></span><span id="libmolgrid::CoordinateSet::togpu__b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">copy</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5togpuEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet5tocpuEb">
-<span id="_CPPv3N10libmolgrid13CoordinateSet5tocpuEb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5tocpuEb"></span><span id="libmolgrid::CoordinateSet::tocpu__b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">copy</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5tocpuEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet5tocpuEb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5tocpuEb"></span><span id="libmolgrid::CoordinateSet::tocpu__b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">copy</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5tocpuEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSeteqERK13CoordinateSet">
-<span id="_CPPv3NK10libmolgrid13CoordinateSeteqERK13CoordinateSet"></span><span id="_CPPv2NK10libmolgrid13CoordinateSeteqERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::eq-operator__CoordinateSetCRC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSeteqERK13CoordinateSet" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSeteqERK13CoordinateSet"></span><span id="_CPPv2NK10libmolgrid13CoordinateSeteqERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::eq-operator__CoordinateSetCRC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSeteqERK13CoordinateSet" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet5cloneEv">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet5cloneEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet5cloneEv"></span><span id="libmolgrid::CoordinateSet::cloneC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">clone</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet5cloneEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet5cloneEv"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet5cloneEv"></span><span id="libmolgrid::CoordinateSet::cloneC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">clone</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet5cloneEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return deep copy </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet">
-<span id="_CPPv3N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet"></span><span id="_CPPv2N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::size_like__CoordinateSetCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size_like</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">s</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet"></span><span id="_CPPv2N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::size_like__CoordinateSetCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size_like</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">s</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet9size_likeERK13CoordinateSet" title="Link to this definition"></a><br /></dt>
 <dd><p>size this to have the same size as s without copying data </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet">
-<span id="_CPPv3N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet"></span><span id="_CPPv2N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::copyInto__CoordinateSetCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyInto</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet"></span><span id="_CPPv2N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet"></span><span id="libmolgrid::CoordinateSet::copyInto__CoordinateSetCR"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyInto</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet8copyIntoERK13CoordinateSet" title="Link to this definition"></a><br /></dt>
 <dd><p>copy contents of src into this, attempting to avoid reallocation if possible </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb">
-<span id="_CPPv3N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb"></span><span id="libmolgrid::CoordinateSet::mergeInto__CoordinateSetCR.CoordinateSetCR.b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mergeInto</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rec</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lig</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb"></span><span id="_CPPv2N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb"></span><span id="libmolgrid::CoordinateSet::mergeInto__CoordinateSetCR.CoordinateSetCR.b"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mergeInto</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rec</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lig</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet9mergeIntoERK13CoordinateSetRK13CoordinateSetb" title="Link to this definition"></a><br /></dt>
 <dd><p>merge provided sets into this, reallocating as necessary </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE">
-<span id="_CPPv3NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE"></span><span id="libmolgrid::CoordinateSet::dump__osRC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dump</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">ostream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE"></span><span id="_CPPv2NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE"></span><span id="libmolgrid::CoordinateSet::dump__osRC"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dump</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">ostream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid13CoordinateSet4dumpERNSt7ostreamE" title="Link to this definition"></a><br /></dt>
 <dd><p>for debugging </p>
 </dd></dl>
 
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid13CoordinateSet9serializeEvR7ArchiveKj">
+<span id="_CPPv3I0EN10libmolgrid13CoordinateSet9serializeER7ArchiveKj"></span><span id="_CPPv2I0EN10libmolgrid13CoordinateSet9serializeER7ArchiveKj"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Archive</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">serialize</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid13CoordinateSet9serializeEvR7ArchiveKj" title="libmolgrid::CoordinateSet::serialize::Archive"><span class="n"><span class="pre">Archive</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">version</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid13CoordinateSet9serializeEvR7ArchiveKj" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
 </div>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet6coordsE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet6coordsE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet6coordsE"></span><span id="libmolgrid::CoordinateSet::coords__MGrid2f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63"></span><span class="n"><span class="pre">MGrid2f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">coords</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet6coordsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet6coordsE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet6coordsE"></span><span id="libmolgrid::CoordinateSet::coords__MGrid2f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63"></span><span class="n"><span class="pre">MGrid2f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">coords</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet6coordsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet10type_indexE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet10type_indexE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet10type_indexE"></span><span id="libmolgrid::CoordinateSet::type_index__MGrid1f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3"></span><span class="n"><span class="pre">MGrid1f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_index</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet10type_indexE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet10type_indexE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet10type_indexE"></span><span id="libmolgrid::CoordinateSet::type_index__MGrid1f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3"></span><span class="n"><span class="pre">MGrid1f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_index</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet10type_indexE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet11type_vectorE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet11type_vectorE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet11type_vectorE"></span><span id="libmolgrid::CoordinateSet::type_vector__MGrid2f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2"></span><span class="n"><span class="pre">MGrid2f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_vector</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet11type_vectorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet11type_vectorE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet11type_vectorE"></span><span id="libmolgrid::CoordinateSet::type_vector__MGrid2f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2"></span><span class="n"><span class="pre">MGrid2f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_vector</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet11type_vectorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet5radiiE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet5radiiE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5radiiE"></span><span id="libmolgrid::CoordinateSet::radii__MGrid1f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77"></span><span class="n"><span class="pre">MGrid1f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">radii</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5radiiE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet5radiiE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet5radiiE"></span><span id="libmolgrid::CoordinateSet::radii__MGrid1f"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77"></span><span class="n"><span class="pre">MGrid1f</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">radii</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet5radiiE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet8max_typeE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet8max_typeE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet8max_typeE"></span><span id="libmolgrid::CoordinateSet::max_type__unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">max_type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet8max_typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet8max_typeE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet8max_typeE"></span><span id="libmolgrid::CoordinateSet::max_type__unsigned"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">max_type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet8max_typeE" title="Link to this definition"></a><br /></dt>
 <dd><p>radii - for type_index, indexed by atom, for type vector, indexed by type </p>
 </dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid13CoordinateSet3srcE">
-<span id="_CPPv3N10libmolgrid13CoordinateSet3srcE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet3srcE"></span><span id="libmolgrid::CoordinateSet::src__cCP"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">src</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet3srcE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid13CoordinateSet3srcE"></span><span id="_CPPv2N10libmolgrid13CoordinateSet3srcE"></span><span id="libmolgrid::CoordinateSet::src__cCP"></span><span class="target" id="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">src</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">nullptr</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid13CoordinateSet3srcE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
+</div>
+<div class="breathe-sectiondef docutils container">
+<p class="breathe-sectiondef-title rubric" id="breathe-section-title-friends">Friends</p>
+<dl>
+<dt class="sig sig-object cpp">
+<span class="property"><span class="pre">friend</span> <span class="pre">class</span></span> <span class="pre">boost::serialization::access</span></dt>
+</dl>
+
 </div>
 </dd></dl>
 
 </section>
 <section id="the-elementindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class<a class="headerlink" href="#the-elementindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class<a class="headerlink" href="#the-elementindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyperE">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyperE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyperE"></span><span id="libmolgrid::ElementIndexTyper"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ElementIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyperE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyperE"></span><span id="libmolgrid::ElementIndexTyper"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ElementIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Calculate element types. </p>
 <p>There are quite a few elements, so should probably run this through an organic chem atom mapper that reduces to number of types. The type id is the atomic number. Any element with atomic number greater than or equal to the specified max is assigned type zero. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj"></span><span id="libmolgrid::ElementIndexTyper::ElementIndexTyper__unsigned"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ab9328295821875303f26d9c4774a931e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ElementIndexTyper</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj"></span><span id="libmolgrid::ElementIndexTyper::ElementIndexTyper__unsigned"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ab9328295821875303f26d9c4774a931e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ElementIndexTyper</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper17ElementIndexTyperEj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyperD0Ev">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyperD0Ev"></span><span id="libmolgrid::ElementIndexTyper::~ElementIndexTyper"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ad7d3c7e60575c6faecabaa600735bb75"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ElementIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyperD0Ev"></span><span id="libmolgrid::ElementIndexTyper::~ElementIndexTyper"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ad7d3c7e60575c6faecabaa600735bb75"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ElementIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper9num_typesEv"></span><span id="libmolgrid::ElementIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper9num_typesEv"></span><span id="libmolgrid::ElementIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::ElementIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::ElementIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper12get_int_typeEi"></span><span id="libmolgrid::ElementIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper12get_int_typeEi"></span><span id="libmolgrid::ElementIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>look up covalent radius of element or provide default </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper14get_type_namesEv"></span><span id="libmolgrid::ElementIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper14get_type_namesEv"></span><span id="libmolgrid::ElementIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::ElementIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::ElementIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return atomic radius of each type, generic type is given zero radius </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::ElementIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::ElementIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid17ElementIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid17ElementIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::ElementIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid17ElementIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid17ElementIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::ElementIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid17ElementIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1210,7 +1173,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ElementInde
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ElementIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ElementIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1218,12 +1181,12 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ElementInde
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyper9last_elemE">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyper9last_elemE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper9last_elemE"></span><span id="libmolgrid::ElementIndexTyper::last_elem__unsigned"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a40914b2099207404a2a1e7eda6ce6718"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">last_elem</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper9last_elemE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyper9last_elemE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper9last_elemE"></span><span id="libmolgrid::ElementIndexTyper::last_elem__unsigned"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a40914b2099207404a2a1e7eda6ce6718"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">last_elem</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper9last_elemE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17ElementIndexTyper14default_radiusE">
-<span id="_CPPv3N10libmolgrid17ElementIndexTyper14default_radiusE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper14default_radiusE"></span><span id="libmolgrid::ElementIndexTyper::default_radius__floatC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a7b801ee2a06101cb9459999adc6def0f"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_radius</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.6</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper14default_radiusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17ElementIndexTyper14default_radiusE"></span><span id="_CPPv2N10libmolgrid17ElementIndexTyper14default_radiusE"></span><span id="libmolgrid::ElementIndexTyper::default_radius__floatC"></span><span class="target" id="classlibmolgrid_1_1ElementIndexTyper_1a7b801ee2a06101cb9459999adc6def0f"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_radius</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.6</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17ElementIndexTyper14default_radiusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1231,38 +1194,38 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ElementInde
 
 </section>
 <section id="the-example-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class<a class="headerlink" href="#the-example-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class<a class="headerlink" href="#the-example-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7ExampleE">
-<span id="_CPPv3N10libmolgrid7ExampleE"></span><span id="_CPPv2N10libmolgrid7ExampleE"></span><span id="libmolgrid::Example"></span><span class="target" id="structlibmolgrid_1_1Example"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">Example</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7ExampleE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>A single example represented by its typed coordinates and label(s) </p>
+<span id="_CPPv3N10libmolgrid7ExampleE"></span><span id="_CPPv2N10libmolgrid7ExampleE"></span><span id="libmolgrid::Example"></span><span class="target" id="structlibmolgrid_1_1Example"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Example</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7ExampleE" title="Link to this definition"></a><br /></dt>
+<dd><p>A single example represented by its typed coordinates and label(s). </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example15num_coordinatesEv">
-<span id="_CPPv3NK10libmolgrid7Example15num_coordinatesEv"></span><span id="_CPPv2NK10libmolgrid7Example15num_coordinatesEv"></span><span id="libmolgrid::Example::num_coordinatesC"></span><span class="target" id="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_coordinates</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example15num_coordinatesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example15num_coordinatesEv"></span><span id="_CPPv2NK10libmolgrid7Example15num_coordinatesEv"></span><span id="libmolgrid::Example::num_coordinatesC"></span><span class="target" id="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_coordinates</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example15num_coordinatesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>for grouped inputs, true if not first member of group </p>
 <p>The total number of atom across all sets </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example9num_typesEb">
-<span id="_CPPv3NK10libmolgrid7Example9num_typesEb"></span><span id="_CPPv2NK10libmolgrid7Example9num_typesEb"></span><span id="libmolgrid::Example::num_types__bC"></span><span class="target" id="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example9num_typesEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example9num_typesEb"></span><span id="_CPPv2NK10libmolgrid7Example9num_typesEb"></span><span id="libmolgrid::Example::num_types__bC"></span><span class="target" id="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example9num_typesEb" title="Link to this definition"></a><br /></dt>
 <dd><p>The maximum number of types across all sets - if unique_index_types is true, each set gets different type ids. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bENK10libmolgrid7Example9sum_typesEvR4GridIfXL1EE6isCUDAEb">
-<span id="_CPPv3I_bENK10libmolgrid7Example9sum_typesER4GridIfXL1EE6isCUDAEb"></span><span id="_CPPv2I_bENK10libmolgrid7Example9sum_typesER4GridIfX1E6isCUDAEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid7Example9sum_typesEvR4GridIfXL1EE6isCUDAEb" title="libmolgrid::Example::sum_types::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid7Example9sum_typesEvR4GridIfXL1EE6isCUDAEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bENK10libmolgrid7Example9sum_typesER4GridIfXL1EE6isCUDAEb"></span><span id="_CPPv2I_bENK10libmolgrid7Example9sum_typesER4GridIfX1E6isCUDAEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sum_types</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid7Example9sum_typesEvR4GridIfXL1EE6isCUDAEb" title="libmolgrid::Example::sum_types::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">sum</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid7Example9sum_typesEvR4GridIfXL1EE6isCUDAEb" title="Link to this definition"></a><br /></dt>
 <dd><p>Accumulate sum of each type class into sum. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example17merge_coordinatesEjb">
-<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesEjb"></span><span id="libmolgrid::Example::merge_coordinates__unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b"></span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesEjb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesEjb"></span><span id="libmolgrid::Example::merge_coordinates__unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b"></span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesEjb" title="Link to this definition"></a><br /></dt>
 <dd><p>Combine all coordinate sets into one and return it. All coordinate sets must have the same kind of typing. The result is a copy of the input coordinates. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>start</strong> – <strong>[in]</strong> ignore coordinates sets prior to this index (default zero) </p></li>
 <li><p><strong>unique_indexed_types</strong> – <strong>[in]</strong> if true, different coordinate sets will have unique, non-overlapping types </p></li>
@@ -1273,10 +1236,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb">
-<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb"></span><span id="libmolgrid::Example::merge_coordinates__Grid2fR.Grid1fR.Grid1fR.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb"></span><span id="libmolgrid::Example::merge_coordinates__Grid2fR.Grid1fR.Grid1fR.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid1fR6Grid1fjb" title="Link to this definition"></a><br /></dt>
 <dd><p>Combine all coordinate sets into one. All coordinate sets must have index typing. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>coords</strong> – <strong>[out]</strong> combined coordinates </p></li>
 <li><p><strong>type_index</strong> – <strong>[out]</strong> combined types </p></li>
@@ -1290,15 +1253,15 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb">
-<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb"></span><span id="libmolgrid::Example::merge_coordinates__std::vector:float3:R.std::vector:float:R.std::vector:float:R.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb"></span><span id="libmolgrid::Example::merge_coordinates__std::vector:float3:R.std::vector:float:R.std::vector:float:R.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorIfEERNSt6vectorIfEEjb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb">
-<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb"></span><span id="libmolgrid::Example::merge_coordinates__Grid2fR.Grid2fR.Grid1fR.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb"></span><span id="libmolgrid::Example::merge_coordinates__Grid2fR.Grid2fR.Grid1fR.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">Grid2f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesER6Grid2fR6Grid2fR6Grid1fjb" title="Link to this definition"></a><br /></dt>
 <dd><p>Combine all coordinate sets into one. All coordinate sets must have vector typing. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>coords</strong> – <strong>[out]</strong> combined coordinates </p></li>
 <li><p><strong>type_index</strong> – <strong>[out]</strong> combined types </p></li>
@@ -1312,40 +1275,40 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb">
-<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb"></span><span id="libmolgrid::Example::merge_coordinates__std::vector:float3:R.std::vector:std::vector:float::R.std::vector:float:R.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb"></span><span id="_CPPv2NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb"></span><span id="libmolgrid::Example::merge_coordinates__std::vector:float3:R.std::vector:std::vector:float::R.std::vector:float:R.unsigned.bC"></span><span class="target" id="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">merge_coordinates</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">float3</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">unique_index_types</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example17merge_coordinatesERNSt6vectorI6float3EERNSt6vectorINSt6vectorIfEEEERNSt6vectorIfEEjb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7ExampleeqERK7Example">
-<span id="_CPPv3NK10libmolgrid7ExampleeqERK7Example"></span><span id="_CPPv2NK10libmolgrid7ExampleeqERK7Example"></span><span id="libmolgrid::Example::eq-operator__ExampleCRC"></span><span class="target" id="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7ExampleeqERK7Example" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid7ExampleeqERK7Example"></span><span id="_CPPv2NK10libmolgrid7ExampleeqERK7Example"></span><span id="libmolgrid::Example::eq-operator__ExampleCRC"></span><span class="target" id="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7ExampleeqERK7Example" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example5togpuEv">
-<span id="_CPPv3N10libmolgrid7Example5togpuEv"></span><span id="_CPPv2N10libmolgrid7Example5togpuEv"></span><span id="libmolgrid::Example::togpu"></span><span class="target" id="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5togpuEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example5togpuEv"></span><span id="_CPPv2N10libmolgrid7Example5togpuEv"></span><span id="libmolgrid::Example::togpu"></span><span class="target" id="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5togpuEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example5tocpuEv">
-<span id="_CPPv3N10libmolgrid7Example5tocpuEv"></span><span id="_CPPv2N10libmolgrid7Example5tocpuEv"></span><span id="libmolgrid::Example::tocpu"></span><span class="target" id="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5tocpuEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example5tocpuEv"></span><span id="_CPPv2N10libmolgrid7Example5tocpuEv"></span><span id="libmolgrid::Example::tocpu"></span><span class="target" id="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5tocpuEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example17make_vector_typesEv">
-<span id="_CPPv3N10libmolgrid7Example17make_vector_typesEv"></span><span id="_CPPv2N10libmolgrid7Example17make_vector_typesEv"></span><span id="libmolgrid::Example::make_vector_types"></span><span class="target" id="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example17make_vector_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example17make_vector_typesEv"></span><span id="_CPPv2N10libmolgrid7Example17make_vector_typesEv"></span><span id="libmolgrid::Example::make_vector_types"></span><span class="target" id="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">make_vector_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example17make_vector_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Convert coordinate sets to vector types. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example16has_vector_typesEj">
-<span id="_CPPv3NK10libmolgrid7Example16has_vector_typesEj"></span><span id="_CPPv2NK10libmolgrid7Example16has_vector_typesEj"></span><span id="libmolgrid::Example::has_vector_types__unsignedC"></span><span class="target" id="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_vector_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example16has_vector_typesEj" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return true if all coord_sets &gt;= start have vector types (or is empty) </p>
+<span id="_CPPv3NK10libmolgrid7Example16has_vector_typesEj"></span><span id="_CPPv2NK10libmolgrid7Example16has_vector_typesEj"></span><span id="libmolgrid::Example::has_vector_types__unsignedC"></span><span class="target" id="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_vector_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example16has_vector_typesEj" title="Link to this definition"></a><br /></dt>
+<dd><p>Return true if all coord_sets &gt;= start have vector types (or is empty). </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid7Example15has_index_typesEj">
-<span id="_CPPv3NK10libmolgrid7Example15has_index_typesEj"></span><span id="_CPPv2NK10libmolgrid7Example15has_index_typesEj"></span><span id="libmolgrid::Example::has_index_types__unsignedC"></span><span class="target" id="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_index_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example15has_index_typesEj" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return true if all coord_sets &gt;= start have index types (or is empty) </p>
+<span id="_CPPv3NK10libmolgrid7Example15has_index_typesEj"></span><span id="_CPPv2NK10libmolgrid7Example15has_index_typesEj"></span><span id="libmolgrid::Example::has_index_types__unsignedC"></span><span class="target" id="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_index_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid7Example15has_index_typesEj" title="Link to this definition"></a><br /></dt>
+<dd><p>Return true if all coord_sets &gt;= start have index types (or is empty). </p>
 </dd></dl>
 
 </div>
@@ -1353,22 +1316,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example4setsE">
-<span id="_CPPv3N10libmolgrid7Example4setsE"></span><span id="_CPPv2N10libmolgrid7Example4setsE"></span><span id="libmolgrid::Example::sets__std::vector:CoordinateSet:"></span><span class="target" id="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sets</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example4setsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example4setsE"></span><span id="_CPPv2N10libmolgrid7Example4setsE"></span><span id="libmolgrid::Example::sets__std::vector:CoordinateSet:"></span><span class="target" id="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sets</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example4setsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example6labelsE">
-<span id="_CPPv3N10libmolgrid7Example6labelsE"></span><span id="_CPPv2N10libmolgrid7Example6labelsE"></span><span id="libmolgrid::Example::labels__std::vector:float:"></span><span class="target" id="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labels</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example6labelsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example6labelsE"></span><span id="_CPPv2N10libmolgrid7Example6labelsE"></span><span id="libmolgrid::Example::labels__std::vector:float:"></span><span class="target" id="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labels</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example6labelsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example5groupE">
-<span id="_CPPv3N10libmolgrid7Example5groupE"></span><span id="_CPPv2N10libmolgrid7Example5groupE"></span><span id="libmolgrid::Example::group__i"></span><span class="target" id="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">group</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5groupE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example5groupE"></span><span id="_CPPv2N10libmolgrid7Example5groupE"></span><span id="libmolgrid::Example::group__i"></span><span class="target" id="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">group</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example5groupE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid7Example7seqcontE">
-<span id="_CPPv3N10libmolgrid7Example7seqcontE"></span><span id="_CPPv2N10libmolgrid7Example7seqcontE"></span><span id="libmolgrid::Example::seqcont__b"></span><span class="target" id="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">seqcont</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example7seqcontE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid7Example7seqcontE"></span><span id="_CPPv2N10libmolgrid7Example7seqcontE"></span><span id="libmolgrid::Example::seqcont__b"></span><span class="target" id="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">seqcont</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid7Example7seqcontE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1376,10 +1339,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bEN10libmolgrid7Example14extract_labelsEvRKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE">
-<span id="_CPPv3I_bEN10libmolgrid7Example14extract_labelsERKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid7Example14extract_labelsERKNSt6vectorI7ExampleEER4GridIfX2E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract_labels</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">examples</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid7Example14extract_labelsEvRKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE" title="libmolgrid::Example::extract_labels::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid7Example14extract_labelsEvRKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bEN10libmolgrid7Example14extract_labelsERKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid7Example14extract_labelsERKNSt6vectorI7ExampleEER4GridIfX2E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract_labels</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">examples</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid7Example14extract_labelsEvRKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE" title="libmolgrid::Example::extract_labels::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid7Example14extract_labelsEvRKNSt6vectorI7ExampleEER4GridIfXL2EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>Extract labels from a vector of examples, as returned by <a class="reference internal" href="#classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0"><span class="std std-ref">ExampleProvider.next_batch</span></a>. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>examples</strong> – <strong>[in]</strong> vector of examples </p></li>
 <li><p><strong>grid</strong> – <strong>[out]</strong> 2D grid (NxL) </p></li>
@@ -1390,10 +1353,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bEN10libmolgrid7Example13extract_labelEvRKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE">
-<span id="_CPPv3I_bEN10libmolgrid7Example13extract_labelERKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid7Example13extract_labelERKNSt6vectorI7ExampleEEjR4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract_label</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">examples</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">labelpos</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid7Example13extract_labelEvRKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE" title="libmolgrid::Example::extract_label::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid7Example13extract_labelEvRKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bEN10libmolgrid7Example13extract_labelERKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid7Example13extract_labelERKNSt6vectorI7ExampleEEjR4GridIfX1E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract_label</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">examples</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">labelpos</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid7Example13extract_labelEvRKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE" title="libmolgrid::Example::extract_label::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid7Example13extract_labelEvRKNSt6vectorI7ExampleEEjR4GridIfXL1EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>Extract a specific label from a vector of examples, as returned by <a class="reference internal" href="#classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0"><span class="std std-ref">ExampleProvider.next_batch</span></a>. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>examples</strong> – <strong>[in]</strong> vector of examples </p></li>
 <li><p><strong>labelpos</strong> – <strong>[in]</strong> position of label </p></li>
@@ -1408,64 +1371,113 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 </section>
 <section id="the-exampleextractor-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleExtractor</span></code> class<a class="headerlink" href="#the-exampleextractor-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleExtractor</span></code> class<a class="headerlink" href="#the-exampleextractor-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractorE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractorE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractorE"></span><span id="libmolgrid::ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractorE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractorE"></span><span id="libmolgrid::ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="Link to this definition"></a><br /></dt>
 <dd><p>Converts an <a class="reference internal" href="#structlibmolgrid_1_1ExampleRef"><span class="std std-ref">ExampleRef</span></a> to and <a class="reference internal" href="#structlibmolgrid_1_1Example"><span class="std std-ref">Example</span></a> Loads (potentially cached) data and applies atom typers to create coordinate sets. Takes care of in-memory caching (optional) and also supports memory mapped gnina cache files (incurring slight overhead on recalculation of atom types in exchange for substantially less real mem usage). </p>
 <p>Can take multiple atom typers, in which case they are applied in order, with the last being repeated. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab7d66331e008ab169c9db0f34d441187"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab7d66331e008ab169c9db0f34d441187"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a553fedda20a9ad9f854140456750e118"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t1</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t2</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a553fedda20a9ad9f854140456750e118"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t1</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t2</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::vector:std::shared_ptr:AtomTyper::CR.std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a53ec0aa6cb7614769917a652f98302bf"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typrs</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">molcaches</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ExampleExtractor::ExampleExtractor__ExampleProviderSettingsCR.std::vector:std::shared_ptr:AtomTyper::CR.std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a53ec0aa6cb7614769917a652f98302bf"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typrs</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">molcaches</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor16ExampleExtractorERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEENSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>setup an extract according to settings, types and molcaches if not present, will get molcaches from settings if there, repeating ligand if necessary </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractorD0Ev">
-<span id="_CPPv3N10libmolgrid16ExampleExtractorD0Ev"></span><span id="_CPPv2N10libmolgrid16ExampleExtractorD0Ev"></span><span id="libmolgrid::ExampleExtractor::~ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractorD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractorD0Ev"></span><span id="_CPPv2N10libmolgrid16ExampleExtractorD0Ev"></span><span id="libmolgrid::ExampleExtractor::~ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleExtractor</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractorD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example"></span><span id="libmolgrid::ExampleExtractor::extract__ExampleRefCR.ExampleR"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ref</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example"></span><span id="libmolgrid::ExampleExtractor::extract__ExampleRefCR.ExampleR"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extract</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ref</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor7extractERK10ExampleRefR7Example" title="Link to this definition"></a><br /></dt>
 <dd><p>Extract ref into ex. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor9num_typesEv">
-<span id="_CPPv3NK10libmolgrid16ExampleExtractor9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor9num_typesEv"></span><span id="libmolgrid::ExampleExtractor::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return the number of types (channels) each example will have Note: this is only accurate if types are explicitly setup. Must provide an <a class="reference internal" href="#structlibmolgrid_1_1ExampleRef"><span class="std std-ref">ExampleRef</span></a> </p>
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor9num_typesEv"></span><span id="libmolgrid::ExampleExtractor::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesEv" title="Link to this definition"></a><br /></dt>
+<dd><p>return the number of types (channels) each example will have Note: this is only accurate if types are explicitly setup. Must provide an <a class="reference internal" href="#structlibmolgrid_1_1ExampleRef"><span class="std std-ref">ExampleRef</span></a></p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef">
-<span id="_CPPv3NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef"></span><span id="libmolgrid::ExampleExtractor::num_types__ExampleRefCRC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ref</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef"></span><span id="libmolgrid::ExampleExtractor::num_types__ExampleRefCRC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ref</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor9num_typesERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid16ExampleExtractor14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor14get_type_namesEv"></span><span id="libmolgrid::ExampleExtractor::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor14get_type_namesEv"></span><span id="libmolgrid::ExampleExtractor::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return names of types for explicitly typed examples type names are prepended by coordinate set index </p>
 </dd></dl>
 
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERNSt7ostreamE">
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor15save_mem_cachesERNSt7ostreamE"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor15save_mem_cachesERNSt7ostreamE"></span><span id="libmolgrid::ExampleExtractor::save_mem_caches__osRC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_caches</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">ostream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERNSt7ostreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory caches to provided output stream. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>out</strong> – <strong>[in]</strong> output stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERKNSt6stringE">
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor15save_mem_cachesERKNSt6stringE"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor15save_mem_cachesERKNSt6stringE"></span><span id="libmolgrid::ExampleExtractor::save_mem_caches__ssCRC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_caches</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor15save_mem_cachesERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory caches to provided file. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERNSt7istreamE">
+<span id="_CPPv3N10libmolgrid16ExampleExtractor15load_mem_cachesERNSt7istreamE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor15load_mem_cachesERNSt7istreamE"></span><span id="libmolgrid::ExampleExtractor::load_mem_caches__isR"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_caches</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERNSt7istreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of input stream into memory caches. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>in</strong> – <strong>[in]</strong> input stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERKNSt6stringE">
+<span id="_CPPv3N10libmolgrid16ExampleExtractor15load_mem_cachesERKNSt6stringE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor15load_mem_cachesERKNSt6stringE"></span><span id="libmolgrid::ExampleExtractor::load_mem_caches__ssCR"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_caches</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor15load_mem_cachesERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of provided file into memory caches. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor15mem_caches_sizeEv">
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor15mem_caches_sizeEv"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor15mem_caches_sizeEv"></span><span id="libmolgrid::ExampleExtractor::mem_caches_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mem_caches_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor15mem_caches_sizeEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
 </div>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-functions">Private Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16ExampleExtractor11count_typesEj">
-<span id="_CPPv3NK10libmolgrid16ExampleExtractor11count_typesEj"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor11count_typesEj"></span><span id="libmolgrid::ExampleExtractor::count_types__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a5421a698349e82ca0640e45fa6d35429"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">count_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">n</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor11count_typesEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16ExampleExtractor11count_typesEj"></span><span id="_CPPv2NK10libmolgrid16ExampleExtractor11count_typesEj"></span><span id="libmolgrid::ExampleExtractor::count_types__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a5421a698349e82ca0640e45fa6d35429"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">count_types</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">n</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16ExampleExtractor11count_typesEj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1473,12 +1485,12 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleExtr
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor12coord_cachesE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor12coord_cachesE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor12coord_cachesE"></span><span id="libmolgrid::ExampleExtractor::coord_caches__std::vector:CoordCache:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a54c779513bcd7e412018cbe0bf0321ff"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10CoordCacheE" title="libmolgrid::CoordCache"><span class="n"><span class="pre">CoordCache</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">coord_caches</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor12coord_cachesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor12coord_cachesE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor12coord_cachesE"></span><span id="libmolgrid::ExampleExtractor::coord_caches__std::vector:CoordCache:"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a54c779513bcd7e412018cbe0bf0321ff"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10CoordCacheE" title="libmolgrid::CoordCache"><span class="n"><span class="pre">CoordCache</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">coord_caches</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor12coord_cachesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16ExampleExtractor15duplicate_posesE">
-<span id="_CPPv3N10libmolgrid16ExampleExtractor15duplicate_posesE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor15duplicate_posesE"></span><span id="libmolgrid::ExampleExtractor::duplicate_poses__b"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a15f56a006f5ce29d6ae2a8d42a57aed7"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">duplicate_poses</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor15duplicate_posesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16ExampleExtractor15duplicate_posesE"></span><span id="_CPPv2N10libmolgrid16ExampleExtractor15duplicate_posesE"></span><span id="libmolgrid::ExampleExtractor::duplicate_poses__b"></span><span class="target" id="classlibmolgrid_1_1ExampleExtractor_1a15f56a006f5ce29d6ae2a8d42a57aed7"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">duplicate_poses</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16ExampleExtractor15duplicate_posesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1486,172 +1498,221 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleExtr
 
 </section>
 <section id="the-exampleprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class<a class="headerlink" href="#the-exampleprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class<a class="headerlink" href="#the-exampleprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProviderE">
-<span id="_CPPv3N10libmolgrid15ExampleProviderE"></span><span id="_CPPv2N10libmolgrid15ExampleProviderE"></span><span id="libmolgrid::ExampleProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProviderE"></span><span id="_CPPv2N10libmolgrid15ExampleProviderE"></span><span id="libmolgrid::ExampleProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>Given a file of examples, provide <a class="reference internal" href="#structlibmolgrid_1_1Example"><span class="std std-ref">Example</span></a> classes one at a time This contains an <a class="reference internal" href="#classlibmolgrid_1_1ExampleRefProvider"><span class="std std-ref">ExampleRefProvider</span></a>, which can be configured using a single settings object if so desired, and an example extractor. Note that cache_structs is true by default which will load the entirety of the dataset into memory. </p>
 <p>An example files contains a single example on each line where an example consists of some number of numerical labels (num_labels, will be auto-detected if not specified) followed by file paths to molecular data, all space separated. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd><p>Create provider using default gnina typing. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEE" title="Link to this definition"></a><br /></dt>
 <dd><p>Create provider/extractor according to settings with single typer. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t1</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t2</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::shared_ptr:AtomTyper:.std::shared_ptr:AtomTyper:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t1</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t2</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsNSt10shared_ptrI9AtomTyperEENSt10shared_ptrI9AtomTyperEE" title="Link to this definition"></a><br /></dt>
 <dd><p>Create provider/extractor according to settings with two typers. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::vector:std::shared_ptr:AtomTyper::CR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typrs</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">molcaches</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__ExampleProviderSettingsCR.std::vector:std::shared_ptr:AtomTyper::CR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid9AtomTyperE" title="libmolgrid::AtomTyper"><span class="n"><span class="pre">AtomTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typrs</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">molcaches</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderERK23ExampleProviderSettingsRKNSt6vectorINSt10shared_ptrI9AtomTyperEEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>Create provider/extractor according to settings. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor">
-<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__std::shared_ptr:ExampleRefProvider:.ExampleExtractorCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a3066f4feae60e7344e861b8560c13c2e"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">p</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">e</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor"></span><span id="libmolgrid::ExampleProvider::ExampleProvider__std::shared_ptr:ExampleRefProvider:.ExampleExtractorCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a3066f4feae60e7344e861b8560c13c2e"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">p</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">e</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15ExampleProviderENSt10shared_ptrI18ExampleRefProviderEERK16ExampleExtractor" title="Link to this definition"></a><br /></dt>
 <dd><p>use provided provider </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProviderD0Ev">
-<span id="_CPPv3N10libmolgrid15ExampleProviderD0Ev"></span><span id="_CPPv2N10libmolgrid15ExampleProviderD0Ev"></span><span id="libmolgrid::ExampleProvider::~ExampleProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProviderD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProviderD0Ev"></span><span id="_CPPv2N10libmolgrid15ExampleProviderD0Ev"></span><span id="libmolgrid::ExampleProvider::~ExampleProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProviderD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6stringEi">
-<span id="_CPPv3N10libmolgrid15ExampleProvider8populateERKNSt6stringEi"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8populateERKNSt6stringEi"></span><span id="libmolgrid::ExampleProvider::populate__ssCR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">num_labels</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6stringEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider8populateERKNSt6stringEi"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8populateERKNSt6stringEi"></span><span id="libmolgrid::ExampleProvider::populate__ssCR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">num_labels</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6stringEi" title="Link to this definition"></a><br /></dt>
 <dd><p>load example file file fname and setup provider </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi">
-<span id="_CPPv3N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi"></span><span id="libmolgrid::ExampleProvider::populate__std::vector:ss:CR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fnames</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">num_labels</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi"></span><span id="libmolgrid::ExampleProvider::populate__std::vector:ss:CR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fnames</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">num_labels</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8populateERKNSt6vectorINSt6stringEEEi" title="Link to this definition"></a><br /></dt>
 <dd><p>load multiple example files </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider10num_labelsEv"></span><span id="libmolgrid::ExampleProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider10num_labelsEv"></span><span id="libmolgrid::ExampleProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels for each example (computed from first example only) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider4nextER7Example">
-<span id="_CPPv3N10libmolgrid15ExampleProvider4nextER7Example"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4nextER7Example"></span><span id="libmolgrid::ExampleProvider::next__ExampleR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4nextER7Example" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider4nextER7Example"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4nextER7Example"></span><span id="libmolgrid::ExampleProvider::next__ExampleR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4nextER7Example" title="Link to this definition"></a><br /></dt>
 <dd><p>provide next example </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider4nextEv">
-<span id="_CPPv3N10libmolgrid15ExampleProvider4nextEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4nextEv"></span><span id="libmolgrid::ExampleProvider::next"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4nextEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider4nextEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4nextEv"></span><span id="libmolgrid::ExampleProvider::next"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4nextEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ExampleProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ExampleProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number A small epoch occurs once every training example has been seen at MOST once. For example, when providing a balanced view of unbalanced data, a small epoch will complete once the less common class has been iterated over. Note this is the epoch of the next example to be provided, not the previous. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ExampleProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ExampleProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number A large epoch occurs once every training example has been seen at LEAST once. For example, when providing a balanced view of unbalanced data, a large epoch will complete once the more common class has been iterated over. Note this is the epoch of the next example to be provided, not the previous. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ExampleProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ExampleProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ExampleProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ExampleProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider5resetEv">
-<span id="_CPPv3N10libmolgrid15ExampleProvider5resetEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider5resetEv"></span><span id="libmolgrid::ExampleProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider5resetEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider5resetEv"></span><span id="libmolgrid::ExampleProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset to beginning. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider4skipEj">
-<span id="_CPPv3N10libmolgrid15ExampleProvider4skipEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4skipEj"></span><span id="libmolgrid::ExampleProvider::skip__unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">skip</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">n</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4skipEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider4skipEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider4skipEj"></span><span id="libmolgrid::ExampleProvider::skip__unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">skip</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">n</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider4skipEj" title="Link to this definition"></a><br /></dt>
 <dd><p>skip over the first n examples </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider8settingsEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider8settingsEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider8settingsEv"></span><span id="libmolgrid::ExampleProvider::settingsC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">settings</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider8settingsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider8settingsEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider8settingsEv"></span><span id="libmolgrid::ExampleProvider::settingsC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">settings</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider8settingsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return settings created with </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj">
-<span id="_CPPv3N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj"></span><span id="libmolgrid::ExampleProvider::next_batch__std::vector:Example:R.unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_batch</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">batch_size</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj"></span><span id="libmolgrid::ExampleProvider::next_batch__std::vector:Example:R.unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_batch</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">batch_size</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10next_batchERNSt6vectorI7ExampleEEj" title="Link to this definition"></a><br /></dt>
 <dd><p>provide a batch of examples </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider10next_batchEj">
-<span id="_CPPv3N10libmolgrid15ExampleProvider10next_batchEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10next_batchEj"></span><span id="libmolgrid::ExampleProvider::next_batch__unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_batch</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">batch_size</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10next_batchEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider10next_batchEj"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10next_batchEj"></span><span id="libmolgrid::ExampleProvider::next_batch__unsigned"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">next_batch</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">batch_size</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10next_batchEj" title="Link to this definition"></a><br /></dt>
 <dd><p>provide a batch of examples, unspecified or 0 batch_size uses default batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider12at_new_epochEv">
-<span id="_CPPv3N10libmolgrid15ExampleProvider12at_new_epochEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider12at_new_epochEv"></span><span id="libmolgrid::ExampleProvider::at_new_epoch"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">at_new_epoch</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider12at_new_epochEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider12at_new_epochEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider12at_new_epochEv"></span><span id="libmolgrid::ExampleProvider::at_new_epoch"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">at_new_epoch</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider12at_new_epochEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return true if we have crossed into a new epoch (or are about to) Note that once this returns true once, it won’t again until the next epoch has been consumed. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider13get_extractorEv">
-<span id="_CPPv3N10libmolgrid15ExampleProvider13get_extractorEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider13get_extractorEv"></span><span id="libmolgrid::ExampleProvider::get_extractor"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a23ca85aec357cd4b99a3ed80b70ffed7"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_extractor</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider13get_extractorEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider13get_extractorEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider13get_extractorEv"></span><span id="libmolgrid::ExampleProvider::get_extractor"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_extractor</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider13get_extractorEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider12get_providerEv">
-<span id="_CPPv3N10libmolgrid15ExampleProvider12get_providerEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider12get_providerEv"></span><span id="libmolgrid::ExampleProvider::get_provider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_provider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider12get_providerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider12get_providerEv"></span><span id="_CPPv2N10libmolgrid15ExampleProvider12get_providerEv"></span><span id="libmolgrid::ExampleProvider::get_provider"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_provider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider12get_providerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider9num_typesEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider9num_typesEv"></span><span id="libmolgrid::ExampleProvider::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider9num_typesEv"></span><span id="libmolgrid::ExampleProvider::num_typesC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider14get_type_namesEv"></span><span id="libmolgrid::ExampleProvider::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider14get_type_namesEv"></span><span id="libmolgrid::ExampleProvider::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>names of types (requires explicit typing) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid15ExampleProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider4sizeEv"></span><span id="libmolgrid::ExampleProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ExampleProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider4sizeEv"></span><span id="libmolgrid::ExampleProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of examples </p>
 </dd></dl>
 
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERNSt7ostreamE">
+<span id="_CPPv3NK10libmolgrid15ExampleProvider15save_mem_cachesERNSt7ostreamE"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider15save_mem_cachesERNSt7ostreamE"></span><span id="libmolgrid::ExampleProvider::save_mem_caches__osRC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_caches</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">ostream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERNSt7ostreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory caches to provided output stream. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>out</strong> – <strong>[in]</strong> output stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERKNSt6stringE">
+<span id="_CPPv3NK10libmolgrid15ExampleProvider15save_mem_cachesERKNSt6stringE"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider15save_mem_cachesERKNSt6stringE"></span><span id="libmolgrid::ExampleProvider::save_mem_caches__ssCRC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save_mem_caches</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider15save_mem_cachesERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Write out current contents of memory caches to provided file. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERNSt7istreamE">
+<span id="_CPPv3N10libmolgrid15ExampleProvider15load_mem_cachesERNSt7istreamE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15load_mem_cachesERNSt7istreamE"></span><span id="libmolgrid::ExampleProvider::load_mem_caches__isR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_caches</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERNSt7istreamE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of input stream into memory caches. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>in</strong> – <strong>[in]</strong> input stream </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERKNSt6stringE">
+<span id="_CPPv3N10libmolgrid15ExampleProvider15load_mem_cachesERKNSt6stringE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider15load_mem_cachesERKNSt6stringE"></span><span id="libmolgrid::ExampleProvider::load_mem_caches__ssCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load_mem_caches</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider15load_mem_cachesERKNSt6stringE" title="Link to this definition"></a><br /></dt>
+<dd><p>Read contents of provided file into memory caches. </p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><p><strong>fname</strong> – <strong>[in]</strong> file name </p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ExampleProvider15mem_caches_sizeEv">
+<span id="_CPPv3NK10libmolgrid15ExampleProvider15mem_caches_sizeEv"></span><span id="_CPPv2NK10libmolgrid15ExampleProvider15mem_caches_sizeEv"></span><span id="libmolgrid::ExampleProvider::mem_caches_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mem_caches_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ExampleProvider15mem_caches_sizeEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
 </div>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleProvider::createProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">createProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleProvider::createProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">createProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider14createProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd><p>return provider as specifyed by settings </p>
 </dd></dl>
 
@@ -1660,22 +1721,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider8providerE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider8providerE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8providerE"></span><span id="libmolgrid::ExampleProvider::provider__std::shared_ptr:ExampleRefProvider:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a1ec12f6bc38d48f2ebd31cd136d7ce07"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">provider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8providerE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider8providerE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider8providerE"></span><span id="libmolgrid::ExampleProvider::provider__std::shared_ptr:ExampleRefProvider:"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a1ec12f6bc38d48f2ebd31cd136d7ce07"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">shared_ptr</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">provider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider8providerE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider9extractorE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider9extractorE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider9extractorE"></span><span id="libmolgrid::ExampleProvider::extractor__ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a2fb8829b2e7a2a7ddd15f77963afe1af"></span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extractor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider9extractorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider9extractorE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider9extractorE"></span><span id="libmolgrid::ExampleProvider::extractor__ExampleExtractor"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a2fb8829b2e7a2a7ddd15f77963afe1af"></span><a class="reference internal" href="#_CPPv4N10libmolgrid16ExampleExtractorE" title="libmolgrid::ExampleExtractor"><span class="n"><span class="pre">ExampleExtractor</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">extractor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider9extractorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider13init_settingsE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider13init_settingsE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider13init_settingsE"></span><span id="libmolgrid::ExampleProvider::init_settings__ExampleProviderSettings"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a3720a86fa37818f1974f5b1854beef4f"></span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">init_settings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider13init_settingsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider13init_settingsE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider13init_settingsE"></span><span id="libmolgrid::ExampleProvider::init_settings__ExampleProviderSettings"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a3720a86fa37818f1974f5b1854beef4f"></span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">init_settings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider13init_settingsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ExampleProvider10last_epochE">
-<span id="_CPPv3N10libmolgrid15ExampleProvider10last_epochE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10last_epochE"></span><span id="libmolgrid::ExampleProvider::last_epoch__s"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a5a204a763731fc6af022857da52a4d64"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">last_epoch</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10last_epochE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ExampleProvider10last_epochE"></span><span id="_CPPv2N10libmolgrid15ExampleProvider10last_epochE"></span><span id="libmolgrid::ExampleProvider::last_epoch__s"></span><span class="target" id="classlibmolgrid_1_1ExampleProvider_1a5a204a763731fc6af022857da52a4d64"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">last_epoch</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ExampleProvider10last_epochE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1683,31 +1744,31 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 </section>
 <section id="the-exampleprovidersettings-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class<a class="headerlink" href="#the-exampleprovidersettings-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class<a class="headerlink" href="#the-exampleprovidersettings-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid23ExampleProviderSettingsE">
-<span id="_CPPv3N10libmolgrid23ExampleProviderSettingsE"></span><span id="_CPPv2N10libmolgrid23ExampleProviderSettingsE"></span><span id="libmolgrid::ExampleProviderSettings"></span><span class="target" id="structlibmolgrid_1_1ExampleProviderSettings"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProviderSettings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid23ExampleProviderSettingsE"></span><span id="_CPPv2N10libmolgrid23ExampleProviderSettingsE"></span><span id="libmolgrid::ExampleProviderSettings"></span><span class="target" id="structlibmolgrid_1_1ExampleProviderSettings"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleProviderSettings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="Link to this definition"></a><br /></dt>
 <dd><p>Description of how examples should be provided This provides configuration to example refs, extractors, and the provider itself as a declarative syntax. </p>
 </dd></dl>
 
 </section>
 <section id="the-exampleref-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRef</span></code> class<a class="headerlink" href="#the-exampleref-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRef</span></code> class<a class="headerlink" href="#the-exampleref-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRefE">
-<span id="_CPPv3N10libmolgrid10ExampleRefE"></span><span id="_CPPv2N10libmolgrid10ExampleRefE"></span><span id="libmolgrid::ExampleRef"></span><span class="target" id="structlibmolgrid_1_1ExampleRef"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRefE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRefE"></span><span id="_CPPv2N10libmolgrid10ExampleRefE"></span><span id="libmolgrid::ExampleRef"></span><span class="target" id="structlibmolgrid_1_1ExampleRef"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRefE" title="Link to this definition"></a><br /></dt>
 <dd><p>a reference to a single example - the parsed line. This is distinct from an <a class="reference internal" href="#structlibmolgrid_1_1Example"><span class="std std-ref">Example</span></a> to enable out-of-core training (although the default should be to load all examples into memory). </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef10ExampleRefEv">
-<span id="_CPPv3N10libmolgrid10ExampleRef10ExampleRefEv"></span><span id="_CPPv2N10libmolgrid10ExampleRef10ExampleRefEv"></span><span id="libmolgrid::ExampleRef::ExampleRef"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef10ExampleRefEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef10ExampleRefEv"></span><span id="_CPPv2N10libmolgrid10ExampleRef10ExampleRefEv"></span><span id="libmolgrid::ExampleRef::ExampleRef"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef10ExampleRefEv" title="Link to this definition"></a><br /></dt>
 <dd><p>true if not first frame of group </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib">
-<span id="_CPPv3N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib"></span><span id="_CPPv2N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib"></span><span id="libmolgrid::ExampleRef::ExampleRef__ssCR.i.b"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">line</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">hasgroup</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib"></span><span id="_CPPv2N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib"></span><span id="libmolgrid::ExampleRef::ExampleRef__ssCR.i.b"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402"></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRef</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">line</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">hasgroup</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef10ExampleRefERKNSt6stringEib" title="Link to this definition"></a><br /></dt>
 <dd><p>parse a line into an example reference - should have numlabels labels </p>
 </dd></dl>
 
@@ -1716,22 +1777,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRef<
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef5filesE">
-<span id="_CPPv3N10libmolgrid10ExampleRef5filesE"></span><span id="_CPPv2N10libmolgrid10ExampleRef5filesE"></span><span id="libmolgrid::ExampleRef::files__std::vector:cCP:"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">files</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef5filesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef5filesE"></span><span id="_CPPv2N10libmolgrid10ExampleRef5filesE"></span><span id="libmolgrid::ExampleRef::files__std::vector:cCP:"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">files</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef5filesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef6labelsE">
-<span id="_CPPv3N10libmolgrid10ExampleRef6labelsE"></span><span id="_CPPv2N10libmolgrid10ExampleRef6labelsE"></span><span id="libmolgrid::ExampleRef::labels__std::vector:float:"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labels</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef6labelsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef6labelsE"></span><span id="_CPPv2N10libmolgrid10ExampleRef6labelsE"></span><span id="libmolgrid::ExampleRef::labels__std::vector:float:"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">labels</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef6labelsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef5groupE">
-<span id="_CPPv3N10libmolgrid10ExampleRef5groupE"></span><span id="_CPPv2N10libmolgrid10ExampleRef5groupE"></span><span id="libmolgrid::ExampleRef::group__i"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">group</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef5groupE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef5groupE"></span><span id="_CPPv2N10libmolgrid10ExampleRef5groupE"></span><span id="libmolgrid::ExampleRef::group__i"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">group</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef5groupE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10ExampleRef7seqcontE">
-<span id="_CPPv3N10libmolgrid10ExampleRef7seqcontE"></span><span id="_CPPv2N10libmolgrid10ExampleRef7seqcontE"></span><span id="libmolgrid::ExampleRef::seqcont__b"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">seqcont</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef7seqcontE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10ExampleRef7seqcontE"></span><span id="_CPPv2N10libmolgrid10ExampleRef7seqcontE"></span><span id="libmolgrid::ExampleRef::seqcont__b"></span><span class="target" id="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">seqcont</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10ExampleRef7seqcontE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1739,100 +1800,100 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRef<
 
 </section>
 <section id="the-examplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRefProvider</span></code> class<a class="headerlink" href="#the-examplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRefProvider</span></code> class<a class="headerlink" href="#the-examplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProviderE">
-<span id="_CPPv3N10libmolgrid18ExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid18ExampleRefProviderE"></span><span id="libmolgrid::ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid18ExampleRefProviderE"></span><span id="libmolgrid::ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>abstract class for storing training example references </p>
 <p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1BalancedExampleRefProvider"><span class="std std-ref">BalancedExampleRefProvider</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1GroupedExampleRefProvider"><span class="std std-ref">GroupedExampleRefProvider&lt; Provider &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider"><span class="std std-ref">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1SamplingExampleRefProvider"><span class="std std-ref">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1UniformExampleRefProvider"><span class="std std-ref">UniformExampleRefProvider</span></a>, <a class="reference internal" href="#classlibmolgrid_1_1ValueStratifiedExampleRefProfider"><span class="std std-ref">ValueStratifiedExampleRefProfider&lt; Provider &gt;</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv"></span><span id="libmolgrid::ExampleRefProvider::ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv"></span><span id="libmolgrid::ExampleRefProvider::ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleRefProvider::ExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ae32c6ad6aeaeba0d2d2ab74a48a553b5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ExampleRefProvider::ExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ae32c6ad6aeaeba0d2d2ab74a48a553b5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider18ExampleRefProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::ExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::ExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider5setupEv"></span><span id="libmolgrid::ExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider5setupEv"></span><span id="libmolgrid::ExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::ExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::ExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider4sizeEv"></span><span id="libmolgrid::ExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider4sizeEv"></span><span id="libmolgrid::ExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProviderD0Ev">
-<span id="_CPPv3N10libmolgrid18ExampleRefProviderD0Ev"></span><span id="_CPPv2N10libmolgrid18ExampleRefProviderD0Ev"></span><span id="libmolgrid::ExampleRefProvider::~ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a6dab7933abd006833437122f78468007"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProviderD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProviderD0Ev"></span><span id="_CPPv2N10libmolgrid18ExampleRefProviderD0Ev"></span><span id="libmolgrid::ExampleRefProvider::~ExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a6dab7933abd006833437122f78468007"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~ExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProviderD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider9has_groupEv"></span><span id="libmolgrid::ExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider9has_groupEv"></span><span id="libmolgrid::ExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::ExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::ExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::ExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::ExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::ExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::ExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid18ExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid18ExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid18ExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider5resetEv"></span><span id="libmolgrid::ExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid18ExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid18ExampleRefProvider5resetEv"></span><span id="libmolgrid::ExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid18ExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
@@ -1841,46 +1902,46 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ExampleRefP
 
 </section>
 <section id="the-fileatommapper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class<a class="headerlink" href="#the-fileatommapper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class<a class="headerlink" href="#the-fileatommapper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapperE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapperE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapperE"></span><span id="libmolgrid::FileAtomMapper"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="libmolgrid::AtomIndexTypeMapper"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapperE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapperE"></span><span id="libmolgrid::FileAtomMapper"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="libmolgrid::AtomIndexTypeMapper"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Map atom types based on provided file. </p>
 <p>Each line for the provided file specifies a single type. Types are specified using type names. This class must be provided the type names properly indexed (should match get_type_names). </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileAtomMapper::FileAtomMapper__ssCR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a2026312e4be308b70d3e93514c33bb65"></span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileAtomMapper::FileAtomMapper__ssCR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a2026312e4be308b70d3e93514c33bb65"></span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERKNSt6stringERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize from filename </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileAtomMapper::FileAtomMapper__isR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1afe177a2d3bc6915733327f7dacec723a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileAtomMapper::FileAtomMapper__isR.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1afe177a2d3bc6915733327f7dacec723a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14FileAtomMapperERNSt7istreamERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>initialize from stream </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapperD0Ev">
-<span id="_CPPv3N10libmolgrid14FileAtomMapperD0Ev"></span><span id="_CPPv2N10libmolgrid14FileAtomMapperD0Ev"></span><span id="libmolgrid::FileAtomMapper::~FileAtomMapper"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a4f9602176f27630df390aedc8d5f5614"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapperD0Ev"></span><span id="_CPPv2N10libmolgrid14FileAtomMapperD0Ev"></span><span id="libmolgrid::FileAtomMapper::~FileAtomMapper"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a4f9602176f27630df390aedc8d5f5614"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~FileAtomMapper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14FileAtomMapper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid14FileAtomMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper9num_typesEv"></span><span id="libmolgrid::FileAtomMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14FileAtomMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper9num_typesEv"></span><span id="libmolgrid::FileAtomMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of mapped types, zero if unknown (no mapping) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14FileAtomMapper12get_new_typeEj">
-<span id="_CPPv3NK10libmolgrid14FileAtomMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper12get_new_typeEj"></span><span id="libmolgrid::FileAtomMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper12get_new_typeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14FileAtomMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper12get_new_typeEj"></span><span id="libmolgrid::FileAtomMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper12get_new_typeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>return mapped type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14FileAtomMapper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid14FileAtomMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper14get_type_namesEv"></span><span id="libmolgrid::FileAtomMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14FileAtomMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14FileAtomMapper14get_type_namesEv"></span><span id="libmolgrid::FileAtomMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14FileAtomMapper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types </p>
 </dd></dl>
 
@@ -1889,7 +1950,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-functions">Private Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper5setupERNSt7istreamE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper5setupERNSt7istreamE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper5setupERNSt7istreamE"></span><span id="libmolgrid::FileAtomMapper::setup__isR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ae33c4132e8b9598ffa2628b3170a6b4f"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper5setupERNSt7istreamE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper5setupERNSt7istreamE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper5setupERNSt7istreamE"></span><span id="libmolgrid::FileAtomMapper::setup__isR"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ae33c4132e8b9598ffa2628b3170a6b4f"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper5setupERNSt7istreamE" title="Link to this definition"></a><br /></dt>
 <dd><p>read in map </p>
 </dd></dl>
 
@@ -1898,17 +1959,17 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper14old_type_namesE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper14old_type_namesE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14old_type_namesE"></span><span id="libmolgrid::FileAtomMapper::old_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ad66bc71cd5fd2316bcb5143e48f0044c"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14old_type_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper14old_type_namesE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14old_type_namesE"></span><span id="libmolgrid::FileAtomMapper::old_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ad66bc71cd5fd2316bcb5143e48f0044c"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14old_type_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper20old_type_to_new_typeE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper20old_type_to_new_typeE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper20old_type_to_new_typeE"></span><span id="libmolgrid::FileAtomMapper::old_type_to_new_type__std::vector:i:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ae773d2bd17ea6ab0f08fcb1d579419eb"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old_type_to_new_type</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper20old_type_to_new_typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper20old_type_to_new_typeE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper20old_type_to_new_typeE"></span><span id="libmolgrid::FileAtomMapper::old_type_to_new_type__std::vector:i:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1ae773d2bd17ea6ab0f08fcb1d579419eb"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old_type_to_new_type</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper20old_type_to_new_typeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14FileAtomMapper14new_type_namesE">
-<span id="_CPPv3N10libmolgrid14FileAtomMapper14new_type_namesE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14new_type_namesE"></span><span id="libmolgrid::FileAtomMapper::new_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a13a0fc95c51121d146263a7c52618f50"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">new_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14new_type_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14FileAtomMapper14new_type_namesE"></span><span id="_CPPv2N10libmolgrid14FileAtomMapper14new_type_namesE"></span><span id="libmolgrid::FileAtomMapper::new_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1FileAtomMapper_1a13a0fc95c51121d146263a7c52618f50"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">new_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid14FileAtomMapper14new_type_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -1916,89 +1977,71 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 
 </section>
 <section id="the-filemappedelementtyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class<a class="headerlink" href="#the-filemappedelementtyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class<a class="headerlink" href="#the-filemappedelementtyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyperE">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyperE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyperE"></span><span id="libmolgrid::FileMappedElementTyper"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="libmolgrid::FileAtomMapper"><span class="n"><span class="pre">FileAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyperE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyperE"></span><span id="libmolgrid::FileMappedElementTyper"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="libmolgrid::FileAtomMapper"><span class="n"><span class="pre">FileAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>file mapping element types, derived class for convenient initialization </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ssCR.unsigned"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ssCR.unsigned"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERKNSt6stringEj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ElementIndexTyperCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ElementIndexTyperCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRKNSt6stringE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__isR.unsigned"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__isR.unsigned"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERNSt7istreamEj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ElementIndexTyperCR.isR"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE"></span><span id="libmolgrid::FileMappedElementTyper::FileMappedElementTyper__ElementIndexTyperCR.isR"></span><span class="target" id="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper22FileMappedElementTyperERK17ElementIndexTyperRNSt7istreamE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper9num_typesEv"></span><span id="libmolgrid::FileMappedElementTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return number of types </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper9num_typesEv"></span><span id="libmolgrid::FileMappedElementTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::FileMappedElementTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::FileMappedElementTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper12get_int_typeEi"></span><span id="libmolgrid::FileMappedElementTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper12get_int_typeEi"></span><span id="libmolgrid::FileMappedElementTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper14get_type_namesEv"></span><span id="libmolgrid::FileMappedElementTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper14get_type_namesEv"></span><span id="libmolgrid::FileMappedElementTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv"></span><span id="libmolgrid::FileMappedElementTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv"></span><span id="libmolgrid::FileMappedElementTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>radii are the average of the underlying mapped types </p>
 </dd></dl>
 
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><br /></dt>
-<dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
-</dd></dl>
-
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::FileMappedElementTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::FileMappedElementTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv"></span><span id="libmolgrid::FileMappedElementTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv"></span><span id="libmolgrid::FileMappedElementTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid22FileMappedElementTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2006,7 +2049,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedE
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileMappedElementTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileMappedElementTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid22FileMappedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2014,89 +2057,71 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedE
 
 </section>
 <section id="the-filemappedgninatyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class<a class="headerlink" href="#the-filemappedgninatyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class<a class="headerlink" href="#the-filemappedgninatyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyperE">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyperE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyperE"></span><span id="libmolgrid::FileMappedGninaTyper"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="libmolgrid::FileAtomMapper"><span class="n"><span class="pre">FileAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyperE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyperE"></span><span id="libmolgrid::FileMappedGninaTyper"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid14FileAtomMapperE" title="libmolgrid::FileAtomMapper"><span class="n"><span class="pre">FileAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>file mapping element types, derived class for convenient initialization </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__ssCR.b"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__ssCR.b"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERKNSt6stringEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__GninaIndexTyperCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__GninaIndexTyperCR.ssCR"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">fname</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRKNSt6stringE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__isR.b"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__isR.b"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERNSt7istreamEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__GninaIndexTyperCR.isR"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE"></span><span id="libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper__GninaIndexTyperCR.isR"></span><span class="target" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">FileMappedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper20FileMappedGninaTyperERK15GninaIndexTyperRNSt7istreamE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper9num_typesEv"></span><span id="libmolgrid::FileMappedGninaTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return number of types </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper9num_typesEv"></span><span id="libmolgrid::FileMappedGninaTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::FileMappedGninaTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::FileMappedGninaTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi"></span><span id="libmolgrid::FileMappedGninaTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi"></span><span id="libmolgrid::FileMappedGninaTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv"></span><span id="libmolgrid::FileMappedGninaTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv"></span><span id="libmolgrid::FileMappedGninaTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv"></span><span id="libmolgrid::FileMappedGninaTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv"></span><span id="libmolgrid::FileMappedGninaTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>radii are the average of the underlying mapped types </p>
 </dd></dl>
 
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><br /></dt>
-<dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
-</dd></dl>
-
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::FileMappedGninaTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::FileMappedGninaTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv"></span><span id="libmolgrid::FileMappedGninaTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv"></span><span id="libmolgrid::FileMappedGninaTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20FileMappedGninaTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2104,7 +2129,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedG
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileMappedGninaTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::FileMappedGninaTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20FileMappedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2112,161 +2137,161 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">FileMappedG
 
 </section>
 <section id="the-gninaindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class<a class="headerlink" href="#the-gninaindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class<a class="headerlink" href="#the-gninaindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyperE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyperE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyperE"></span><span id="libmolgrid::GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">GninaIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyperE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyperE"></span><span id="libmolgrid::GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Calculate gnina types. </p>
 <p>These are variants of AutoDock4 types. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp enum">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4typeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4typeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4typeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d"></span><span class="k"><span class="pre">enum</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4typeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4typeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d"></span><span class="k"><span class="pre">enum</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4typeE" title="Link to this definition"></a><br /></dt>
 <dd><p><em>Values:</em></p>
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type8HydrogenE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8HydrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8HydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da20fa2720571344499f799d2839b23c7e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Hydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8HydrogenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8HydrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8HydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da20fa2720571344499f799d2839b23c7e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Hydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8HydrogenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daa3d3ec6d4feccb909e375261fc5e747a"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">PolarHydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daa3d3ec6d4feccb909e375261fc5e747a"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">PolarHydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type13PolarHydrogenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da1ea7ee189d41ec98ed6592d7e07cbe01"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AliphaticCarbonXSHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da1ea7ee189d41ec98ed6592d7e07cbe01"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AliphaticCarbonXSHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type27AliphaticCarbonXSHydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da9b66ff931740ae4be675a9fa83f9c130"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AliphaticCarbonXSNonHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da9b66ff931740ae4be675a9fa83f9c130"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AliphaticCarbonXSNonHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type30AliphaticCarbonXSNonHydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf3113296791638a80d64ba33c5fd4427"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AromaticCarbonXSHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf3113296791638a80d64ba33c5fd4427"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AromaticCarbonXSHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type26AromaticCarbonXSHydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0bd3db5b7e161ee0ebb624494e30af85"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AromaticCarbonXSNonHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0bd3db5b7e161ee0ebb624494e30af85"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AromaticCarbonXSNonHydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type29AromaticCarbonXSNonHydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type8NitrogenE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8NitrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8NitrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf766de68d927b08d86af09a7aadbe81b"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Nitrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8NitrogenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8NitrogenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8NitrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf766de68d927b08d86af09a7aadbe81b"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Nitrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8NitrogenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da6abe6c6a3e353efda94a61eec0bc6e1c"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSDonor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da6abe6c6a3e353efda94a61eec0bc6e1c"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSDonor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type15NitrogenXSDonorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5739855eaaa648af57dc0188e3698743"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSDonorAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5739855eaaa648af57dc0188e3698743"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSDonorAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type23NitrogenXSDonorAcceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da99a9bbcbf26abb65fafcebd4ee38b1cc"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da99a9bbcbf26abb65fafcebd4ee38b1cc"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NitrogenXSAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type18NitrogenXSAcceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type6OxygenE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6OxygenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6OxygenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae54b22e3be885eb43db3925118a89f02"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Oxygen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6OxygenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6OxygenE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6OxygenE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae54b22e3be885eb43db3925118a89f02"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Oxygen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6OxygenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae139a25d0b4fda3f0a87918043c19640"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSDonor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae139a25d0b4fda3f0a87918043c19640"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSDonor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type13OxygenXSDonorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5a0891509ad2a1599770d76eac6f11b6"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSDonorAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5a0891509ad2a1599770d76eac6f11b6"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSDonorAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type21OxygenXSDonorAcceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0de17bde588e82e1aed388dd71381026"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0de17bde588e82e1aed388dd71381026"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OxygenXSAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type16OxygenXSAcceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type6SulfurE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6SulfurE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6SulfurE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dadfc4f003c99e8ae202fa0bbe5433e37d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Sulfur</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6SulfurE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6SulfurE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6SulfurE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dadfc4f003c99e8ae202fa0bbe5433e37d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Sulfur</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6SulfurE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dab0aaebb4b47401db206171bcbf5f83ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SulfurAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dab0aaebb4b47401db206171bcbf5f83ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SulfurAcceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type14SulfurAcceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type10PhosphorusE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type10PhosphorusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type10PhosphorusE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dafb6902001cce5e4c30fbf6ff798d14ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Phosphorus</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type10PhosphorusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type10PhosphorusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type10PhosphorusE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dafb6902001cce5e4c30fbf6ff798d14ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Phosphorus</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type10PhosphorusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type8FluorineE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8FluorineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8FluorineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da720bc1d5b753af7cf738a52d4b390004"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Fluorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8FluorineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8FluorineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8FluorineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da720bc1d5b753af7cf738a52d4b390004"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Fluorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8FluorineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type8ChlorineE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8ChlorineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8ChlorineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da8b6a342c70d3df3c2927e8a07b798170"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Chlorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8ChlorineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8ChlorineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8ChlorineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da8b6a342c70d3df3c2927e8a07b798170"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Chlorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8ChlorineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type7BromineE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type7BromineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type7BromineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0aa79218b633c599741632eb7393d2fe"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Bromine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type7BromineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type7BromineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type7BromineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0aa79218b633c599741632eb7393d2fe"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Bromine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type7BromineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type6IodineE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6IodineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6IodineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf293af144ce688a9a2e0a43a9af4e279"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iodine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6IodineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type6IodineE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type6IodineE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf293af144ce688a9a2e0a43a9af4e279"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iodine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type6IodineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type9MagnesiumE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type9MagnesiumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type9MagnesiumE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daff5ab7e500a1c16d48b11aa93bb60439"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Magnesium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type9MagnesiumE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type9MagnesiumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type9MagnesiumE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daff5ab7e500a1c16d48b11aa93bb60439"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Magnesium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type9MagnesiumE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type9ManganeseE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type9ManganeseE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type9ManganeseE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da2481971aeae9ed91247d0e6c69447bcf"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Manganese</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type9ManganeseE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type9ManganeseE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type9ManganeseE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da2481971aeae9ed91247d0e6c69447bcf"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Manganese</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type9ManganeseE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type4ZincE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type4ZincE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type4ZincE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da64391040c4d0c382ba484cfc7dc24cce"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Zinc</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type4ZincE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type4ZincE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type4ZincE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da64391040c4d0c382ba484cfc7dc24cce"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Zinc</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type4ZincE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type7CalciumE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type7CalciumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type7CalciumE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da40f67c18f45fbcb3396df8fb55e41145"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Calcium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type7CalciumE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type7CalciumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type7CalciumE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da40f67c18f45fbcb3396df8fb55e41145"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Calcium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type7CalciumE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type4IronE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type4IronE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type4IronE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da8750950e70ba4037061ecd568a56b944"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type4IronE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type4IronE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type4IronE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da8750950e70ba4037061ecd568a56b944"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type4IronE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type12GenericMetalE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type12GenericMetalE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type12GenericMetalE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dad89b17a8892a5bd6aac5579a777515e0"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GenericMetal</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type12GenericMetalE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type12GenericMetalE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type12GenericMetalE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dad89b17a8892a5bd6aac5579a777515e0"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GenericMetal</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type12GenericMetalE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type5BoronE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type5BoronE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type5BoronE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da3a2170e4ebad18bd68d1cd7ebd73bd3d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Boron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type5BoronE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type5BoronE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type5BoronE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da3a2170e4ebad18bd68d1cd7ebd73bd3d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Boron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type5BoronE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4type8NumTypesE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8NumTypesE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8NumTypesE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumTypes</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8NumTypesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4type8NumTypesE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4type8NumTypesE"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumTypes</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4type8NumTypesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </dd></dl>
@@ -2276,10 +2301,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info"></span><span id="libmolgrid::GninaIndexTyper::GninaIndexTyper__b.infoCP"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a683729a67c4252fdfa71f23d0810a7ab"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaIndexTyper</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">d</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper12default_dataE" title="libmolgrid::GninaIndexTyper::default_data"><span class="n"><span class="pre">default_data</span></span></a><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info"></span><span id="libmolgrid::GninaIndexTyper::GninaIndexTyper__b.infoCP"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a683729a67c4252fdfa71f23d0810a7ab"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaIndexTyper</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">d</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper12default_dataE" title="libmolgrid::GninaIndexTyper::default_data"><span class="n"><span class="pre">default_data</span></span></a><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper15GninaIndexTyperEbPK4info" title="Link to this definition"></a><br /></dt>
 <dd><p>Create a gnina typer. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><p><strong>usec</strong> – <strong>[in]</strong> use the gnina determined covalent radius. </p>
 </dd>
 </dl>
@@ -2287,54 +2312,54 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyperD0Ev">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyperD0Ev"></span><span id="libmolgrid::GninaIndexTyper::~GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a187ae086fdbb7327510642b6dd674634"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GninaIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyperD0Ev"></span><span id="libmolgrid::GninaIndexTyper::~GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a187ae086fdbb7327510642b6dd674634"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GninaIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper9num_typesEv"></span><span id="libmolgrid::GninaIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper9num_typesEv"></span><span id="libmolgrid::GninaIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::GninaIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::GninaIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 <p>return type index and radius of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper12get_int_typeEi"></span><span id="libmolgrid::GninaIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper12get_int_typeEi"></span><span id="libmolgrid::GninaIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>basically look up the radius of the given gnina type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper14get_type_namesEv"></span><span id="libmolgrid::GninaIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper14get_type_namesEv"></span><span id="libmolgrid::GninaIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::GninaIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::GninaIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return atomic radius of each type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper8get_infoEi">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper8get_infoEi"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper8get_infoEi"></span><span id="libmolgrid::GninaIndexTyper::get_info__iC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_info</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper8get_infoEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper8get_infoEi"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper8get_infoEi"></span><span id="libmolgrid::GninaIndexTyper::get_info__iC"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a6755f887a9122d385f57889088b6daa2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_info</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper8get_infoEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return gnina info for a given type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::GninaIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::GninaIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15GninaIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid15GninaIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::GninaIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15GninaIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid15GninaIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::GninaIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15GninaIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2342,13 +2367,13 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper15gnina_type_nameEi">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper15gnina_type_nameEi"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper15gnina_type_nameEi"></span><span id="libmolgrid::GninaIndexTyper::gnina_type_name__i"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gnina_type_name</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper15gnina_type_nameEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper15gnina_type_nameEi"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper15gnina_type_nameEi"></span><span id="libmolgrid::GninaIndexTyper::gnina_type_name__i"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gnina_type_name</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper15gnina_type_nameEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return name of default gnina type t </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::GninaIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::GninaIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2356,12 +2381,12 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper12use_covalentE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper12use_covalentE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper12use_covalentE"></span><span id="libmolgrid::GninaIndexTyper::use_covalent__b"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a00161623a95c7ffa27d620532c573984"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_covalent</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper12use_covalentE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper12use_covalentE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper12use_covalentE"></span><span id="libmolgrid::GninaIndexTyper::use_covalent__b"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a00161623a95c7ffa27d620532c573984"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_covalent</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper12use_covalentE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4dataE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4dataE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4dataE"></span><span id="libmolgrid::GninaIndexTyper::data__infoCP"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a2bddd8ea9bcb04d6f926e6527a34cfb6"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">NULL</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4dataE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4dataE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4dataE"></span><span id="libmolgrid::GninaIndexTyper::data__infoCP"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1a2bddd8ea9bcb04d6f926e6527a34cfb6"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">NULL</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4dataE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2369,84 +2394,84 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-static-attributes">Private Static Attributes</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper12default_dataE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper12default_dataE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper12default_dataE"></span><span id="libmolgrid::GninaIndexTyper::default_data__infoCA"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1aa5bf93ecd6c0d77173098ab6812167e0"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_data</span></span></span><span class="p"><span class="pre">[</span></span><span class="n"><span class="pre">NumTypes</span></span><span class="p"><span class="pre">]</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper12default_dataE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper12default_dataE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper12default_dataE"></span><span id="libmolgrid::GninaIndexTyper::default_data__infoCA"></span><span class="target" id="classlibmolgrid_1_1GninaIndexTyper_1aa5bf93ecd6c0d77173098ab6812167e0"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="libmolgrid::GninaIndexTyper::info"><span class="n"><span class="pre">info</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_data</span></span></span><span class="p"><span class="pre">[</span></span><span class="n"><span class="pre">NumTypes</span></span><span class="p"><span class="pre">]</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper12default_dataE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4infoE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4infoE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4infoE"></span><span id="libmolgrid::GninaIndexTyper::info"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">info</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4infoE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4infoE"></span><span id="libmolgrid::GninaIndexTyper::info"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">info</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4infoE" title="Link to this definition"></a><br /></dt>
 <dd><p>Information for an atom type. This includes many legacy fields. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info2smE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info2smE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info2smE"></span><span id="libmolgrid::GninaIndexTyper::info::sm__type"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a8d814dd57d2edee2e712cbd86a3127b1"></span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4typeE" title="libmolgrid::GninaIndexTyper::type"><span class="n"><span class="pre">type</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sm</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info2smE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info2smE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info2smE"></span><span id="libmolgrid::GninaIndexTyper::info::sm__type"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a8d814dd57d2edee2e712cbd86a3127b1"></span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyper4typeE" title="libmolgrid::GninaIndexTyper::type"><span class="n"><span class="pre">type</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sm</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info2smE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info10smina_nameE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info10smina_nameE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info10smina_nameE"></span><span id="libmolgrid::GninaIndexTyper::info::smina_name__cCP"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1aa70a63947393694475dc198400e22314"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">smina_name</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info10smina_nameE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info10smina_nameE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info10smina_nameE"></span><span id="libmolgrid::GninaIndexTyper::info::smina_name__cCP"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1aa70a63947393694475dc198400e22314"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">smina_name</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info10smina_nameE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info6adnameE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info6adnameE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info6adnameE"></span><span id="libmolgrid::GninaIndexTyper::info::adname__cCP"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a7ca1880f6456c8d72c3efd41b15b48a5"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">adname</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info6adnameE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info6adnameE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info6adnameE"></span><span id="libmolgrid::GninaIndexTyper::info::adname__cCP"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a7ca1880f6456c8d72c3efd41b15b48a5"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">adname</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info6adnameE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info4anumE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info4anumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info4anumE"></span><span id="libmolgrid::GninaIndexTyper::info::anum__unsigned"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ac31cb736bd9681bcba7a596b31e23541"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">anum</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info4anumE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info4anumE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info4anumE"></span><span id="libmolgrid::GninaIndexTyper::info::anum__unsigned"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ac31cb736bd9681bcba7a596b31e23541"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">anum</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info4anumE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_radiusE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9ad_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9ad_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a2bd81ddcf3b54c451533bb335a5a32a8"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_radiusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9ad_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9ad_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a2bd81ddcf3b54c451533bb335a5a32a8"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_radiusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info8ad_depthE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info8ad_depthE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info8ad_depthE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_depth__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af504cf271d0020317ec1cf9a219a36aa"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_depth</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info8ad_depthE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info8ad_depthE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info8ad_depthE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_depth__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af504cf271d0020317ec1cf9a219a36aa"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_depth</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info8ad_depthE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info12ad_solvationE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info12ad_solvationE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info12ad_solvationE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_solvation__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af030eefb3668c4bf6c51e0184bc9652f"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_solvation</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info12ad_solvationE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info12ad_solvationE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info12ad_solvationE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_solvation__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af030eefb3668c4bf6c51e0184bc9652f"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_solvation</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info12ad_solvationE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_volumeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9ad_volumeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9ad_volumeE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_volume__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad47f54e927cd62d42d78ffba9047cf92"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_volume</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_volumeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9ad_volumeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9ad_volumeE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_volume__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad47f54e927cd62d42d78ffba9047cf92"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_volume</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9ad_volumeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info15covalent_radiusE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info15covalent_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info15covalent_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::covalent_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad193828e93691abcbfe98341671cf90e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">covalent_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info15covalent_radiusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info15covalent_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info15covalent_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::covalent_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad193828e93691abcbfe98341671cf90e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">covalent_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info15covalent_radiusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info9xs_radiusE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9xs_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9xs_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a71b62833de40e93190610ebdd26df937"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9xs_radiusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info9xs_radiusE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info9xs_radiusE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_radius__float"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a71b62833de40e93190610ebdd26df937"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_radius</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info9xs_radiusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_hydrophobe__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a3c8ad373784fcd045ca46a59b0672a62"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_hydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_hydrophobe__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a3c8ad373784fcd045ca46a59b0672a62"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_hydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info13xs_hydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info8xs_donorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info8xs_donorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info8xs_donorE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_donor__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a4d6140923dcfe9e59fe1355ecd106bd1"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_donor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info8xs_donorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info8xs_donorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info8xs_donorE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_donor__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a4d6140923dcfe9e59fe1355ecd106bd1"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_donor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info8xs_donorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info11xs_acceptorE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info11xs_acceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info11xs_acceptorE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_acceptor__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a63abb2440710ff892d3e7d1e73607f66"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_acceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info11xs_acceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info11xs_acceptorE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info11xs_acceptorE"></span><span id="libmolgrid::GninaIndexTyper::info::xs_acceptor__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a63abb2440710ff892d3e7d1e73607f66"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">xs_acceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info11xs_acceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE">
-<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_heteroatom__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a1545b973b3b84e111b5983a51e0eec7e"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_heteroatom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE"></span><span id="_CPPv2N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE"></span><span id="libmolgrid::GninaIndexTyper::info::ad_heteroatom__b"></span><span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a1545b973b3b84e111b5983a51e0eec7e"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ad_heteroatom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15GninaIndexTyper4info13ad_heteroatomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2456,10 +2481,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 
 </section>
 <section id="the-gninaindextyper-info-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper::info</span></code> class<a class="headerlink" href="#the-gninaindextyper-info-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper::info</span></code> class<a class="headerlink" href="#the-gninaindextyper-info-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp">
-<span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">info</span></span></span><br /></dt>
+<span class="target" id="structlibmolgrid_1_1GninaIndexTyper_1_1info"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">info</span></span></span><br /></dt>
 <dd><p>Information for an atom type. This includes many legacy fields. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
@@ -2538,10 +2563,10 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 
 </section>
 <section id="the-gninavectortyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class<a class="headerlink" href="#the-gninavectortyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class<a class="headerlink" href="#the-gninavectortyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyperE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyperE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyperE"></span><span id="libmolgrid::GninaVectorTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">GninaVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="libmolgrid::AtomVectorTyper"><span class="n"><span class="pre">AtomVectorTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyperE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyperE"></span><span id="libmolgrid::GninaVectorTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaVectorTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15AtomVectorTyperE" title="libmolgrid::AtomVectorTyper"><span class="n"><span class="pre">AtomVectorTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Decompose gnina types into elements and properties. Result is boolean. </p>
 <p>Hydrophobic, Aromatic, Donor, Acceptor</p>
 <p>These are variants of AutoDock4 types. </p>
@@ -2549,141 +2574,141 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp enum">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtypeE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtypeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtypeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58"></span><span class="k"><span class="pre">enum</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">vtype</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtypeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtypeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtypeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58"></span><span class="k"><span class="pre">enum</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">vtype</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtypeE" title="Link to this definition"></a><br /></dt>
 <dd><p><em>Values:</em></p>
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8HydrogenE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8HydrogenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8HydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a20fa2720571344499f799d2839b23c7e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Hydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8HydrogenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8HydrogenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8HydrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a20fa2720571344499f799d2839b23c7e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Hydrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8HydrogenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype6CarbonE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6CarbonE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6CarbonE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a29aed61cddc081ff18d77c441b9fedb2"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Carbon</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6CarbonE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6CarbonE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6CarbonE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a29aed61cddc081ff18d77c441b9fedb2"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Carbon</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6CarbonE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NitrogenE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8NitrogenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8NitrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af766de68d927b08d86af09a7aadbe81b"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Nitrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NitrogenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8NitrogenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8NitrogenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af766de68d927b08d86af09a7aadbe81b"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Nitrogen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NitrogenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype6OxygenE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6OxygenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6OxygenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae54b22e3be885eb43db3925118a89f02"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Oxygen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6OxygenE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6OxygenE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6OxygenE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae54b22e3be885eb43db3925118a89f02"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Oxygen</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6OxygenE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype6SulfurE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6SulfurE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6SulfurE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adfc4f003c99e8ae202fa0bbe5433e37d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Sulfur</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6SulfurE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6SulfurE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6SulfurE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adfc4f003c99e8ae202fa0bbe5433e37d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Sulfur</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6SulfurE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58afb6902001cce5e4c30fbf6ff798d14ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Phosphorus</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58afb6902001cce5e4c30fbf6ff798d14ff"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Phosphorus</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype10PhosphorusE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8FluorineE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8FluorineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8FluorineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a720bc1d5b753af7cf738a52d4b390004"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Fluorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8FluorineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8FluorineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8FluorineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a720bc1d5b753af7cf738a52d4b390004"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Fluorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8FluorineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8ChlorineE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8ChlorineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8ChlorineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8b6a342c70d3df3c2927e8a07b798170"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Chlorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8ChlorineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8ChlorineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8ChlorineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8b6a342c70d3df3c2927e8a07b798170"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Chlorine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8ChlorineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype7BromineE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype7BromineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype7BromineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a0aa79218b633c599741632eb7393d2fe"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Bromine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype7BromineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype7BromineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype7BromineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a0aa79218b633c599741632eb7393d2fe"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Bromine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype7BromineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype6IodineE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6IodineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6IodineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af293af144ce688a9a2e0a43a9af4e279"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iodine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6IodineE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype6IodineE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype6IodineE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af293af144ce688a9a2e0a43a9af4e279"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iodine</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype6IodineE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aff5ab7e500a1c16d48b11aa93bb60439"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Magnesium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aff5ab7e500a1c16d48b11aa93bb60439"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Magnesium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9MagnesiumE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype9ManganeseE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9ManganeseE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9ManganeseE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a2481971aeae9ed91247d0e6c69447bcf"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Manganese</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9ManganeseE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9ManganeseE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9ManganeseE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a2481971aeae9ed91247d0e6c69447bcf"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Manganese</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9ManganeseE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype4ZincE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype4ZincE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype4ZincE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64391040c4d0c382ba484cfc7dc24cce"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Zinc</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype4ZincE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype4ZincE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype4ZincE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64391040c4d0c382ba484cfc7dc24cce"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Zinc</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype4ZincE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype7CalciumE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype7CalciumE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype7CalciumE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a40f67c18f45fbcb3396df8fb55e41145"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Calcium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype7CalciumE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype7CalciumE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype7CalciumE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a40f67c18f45fbcb3396df8fb55e41145"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Calcium</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype7CalciumE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype4IronE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype4IronE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype4IronE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8750950e70ba4037061ecd568a56b944"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype4IronE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype4IronE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype4IronE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8750950e70ba4037061ecd568a56b944"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Iron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype4IronE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype5BoronE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype5BoronE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype5BoronE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a3a2170e4ebad18bd68d1cd7ebd73bd3d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Boron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype5BoronE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype5BoronE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype5BoronE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a3a2170e4ebad18bd68d1cd7ebd73bd3d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Boron</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype5BoronE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a102c874da8d58e697153b870836f97d7"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GenericAtom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a102c874da8d58e697153b870836f97d7"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GenericAtom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype11GenericAtomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AD_depthE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8AD_depthE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8AD_depthE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a66071ce81eacf279caeb6181d2b4af77"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_depth</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AD_depthE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8AD_depthE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8AD_depthE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a66071ce81eacf279caeb6181d2b4af77"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_depth</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AD_depthE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a94dadc9171990acbc734ebc7b964c24e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_solvation</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a94dadc9171990acbc734ebc7b964c24e"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_solvation</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype12AD_solvationE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae946596d3b2f7916326449e286a24d86"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_volume</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae946596d3b2f7916326449e286a24d86"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_volume</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype9AD_volumeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a6fa0bccf04cddf72b9a36f9189e6f826"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_hydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a6fa0bccf04cddf72b9a36f9189e6f826"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_hydrophobe</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype13XS_hydrophobeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8XS_donorE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8XS_donorE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8XS_donorE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adf29561d776262734af9b550a4084d99"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_donor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8XS_donorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8XS_donorE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8XS_donorE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adf29561d776262734af9b550a4084d99"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_donor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8XS_donorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a495ab511fe9d4de716f17c16b88c8381"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_acceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a495ab511fe9d4de716f17c16b88c8381"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">XS_acceptor</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype11XS_acceptorE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a17742e560aabc21a282511133d1d6051"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_heteroatom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a17742e560aabc21a282511133d1d6051"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">AD_heteroatom</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype13AD_heteroatomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a47dac740f8d42f2a95b945a0ca69578d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OB_partialcharge</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a47dac740f8d42f2a95b945a0ca69578d"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">OB_partialcharge</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype16OB_partialchargeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AromaticE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8AromaticE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8AromaticE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64c607937ff8cf2e2d5c22b8b4052b4c"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Aromatic</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AromaticE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8AromaticE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8AromaticE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64c607937ff8cf2e2d5c22b8b4052b4c"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Aromatic</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8AromaticE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp enumerator">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NumTypesE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8NumTypesE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8NumTypesE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aac64c8922ff64ae0d88ad358421d026f"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumTypes</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NumTypesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper5vtype8NumTypesE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper5vtype8NumTypesE"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aac64c8922ff64ae0d88ad358421d026f"></span><span class="k"><span class="pre">enumerator</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumTypes</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper5vtype8NumTypesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </dd></dl>
@@ -2693,50 +2718,50 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper"></span><span id="libmolgrid::GninaVectorTyper::GninaVectorTyper__GninaIndexTyperCR"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a8aabffa33c33ea047ccfc0f0dc27f512"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaVectorTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ityp</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper"></span><span id="libmolgrid::GninaVectorTyper::GninaVectorTyper__GninaIndexTyperCR"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a8aabffa33c33ea047ccfc0f0dc27f512"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GninaVectorTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ityp</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper16GninaVectorTyperERK15GninaIndexTyper" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyperD0Ev">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyperD0Ev"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyperD0Ev"></span><span id="libmolgrid::GninaVectorTyper::~GninaVectorTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a86b9eabd4c39cba26d8f59d5840e554a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GninaVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyperD0Ev"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyperD0Ev"></span><span id="libmolgrid::GninaVectorTyper::~GninaVectorTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a86b9eabd4c39cba26d8f59d5840e554a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GninaVectorTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper9num_typesEv"></span><span id="libmolgrid::GninaVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper9num_typesEv"></span><span id="libmolgrid::GninaVectorTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::GninaVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::GninaVectorTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::GninaVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv"></span><span id="libmolgrid::GninaVectorTyper::get_vector_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_vector_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper21get_vector_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return radii of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper14get_type_namesEv"></span><span id="libmolgrid::GninaVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper14get_type_namesEv"></span><span id="libmolgrid::GninaVectorTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::GninaVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::GninaVectorTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::GninaVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper15is_vector_typerEv"></span><span id="libmolgrid::GninaVectorTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16GninaVectorTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid16GninaVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper12get_int_typeEi"></span><span id="libmolgrid::GninaVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16GninaVectorTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid16GninaVectorTyper12get_int_typeEi"></span><span id="libmolgrid::GninaVectorTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16GninaVectorTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2744,7 +2769,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper6ityperE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper6ityperE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper6ityperE"></span><span id="libmolgrid::GninaVectorTyper::ityper__GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a804985fc0e267f0a5c2c2e35b11a0a58"></span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ityper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper6ityperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper6ityperE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper6ityperE"></span><span id="libmolgrid::GninaVectorTyper::ityper__GninaIndexTyper"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a804985fc0e267f0a5c2c2e35b11a0a58"></span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ityper</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper6ityperE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2752,7 +2777,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-static-attributes">Private Static Attributes</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16GninaVectorTyper11vtype_namesE">
-<span id="_CPPv3N10libmolgrid16GninaVectorTyper11vtype_namesE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper11vtype_namesE"></span><span id="libmolgrid::GninaVectorTyper::vtype_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a241ea1f966320d05b07e9151f2778407"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">vtype_names</span></span></span><span class="p"><span class="pre">{</span></span><s><span class="pre">&quot;Hydrogen&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Carbon&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Nitrogen&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Oxygen&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Sulfur&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Phosphorus&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Fluorine&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Chlorine&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Bromine&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Iodine&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Magnesium&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Manganese&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Zinc&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Calcium&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Iron&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Boron&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;GenericAtom&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;AD_depth&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;AD_solvation&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;AD_volume&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;XS_hydrophobe&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;XS_donor&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;XS_acceptor&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;AD_heteroatom&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;Aromatic&quot;</span></s><span class="p"><span class="pre">,</span></span><span class="w"> </span><s><span class="pre">&quot;OB_partialcharge&quot;</span></s><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper11vtype_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16GninaVectorTyper11vtype_namesE"></span><span id="_CPPv2N10libmolgrid16GninaVectorTyper11vtype_namesE"></span><span id="libmolgrid::GninaVectorTyper::vtype_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1GninaVectorTyper_1a241ea1f966320d05b07e9151f2778407"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">vtype_names</span></span></span><span class="p"><span class="pre">{</span></span><span class="s"><span class="pre">&quot;Hydrogen&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Carbon&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Nitrogen&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Oxygen&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Sulfur&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Phosphorus&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Fluorine&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Chlorine&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Bromine&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Iodine&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Magnesium&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Manganese&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Zinc&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Calcium&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Iron&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Boron&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;GenericAtom&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;AD_depth&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;AD_solvation&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;AD_volume&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;XS_hydrophobe&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;XS_donor&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;XS_acceptor&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;AD_heteroatom&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;Aromatic&quot;</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">&quot;OB_partialcharge&quot;</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16GninaVectorTyper11vtype_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2760,36 +2785,36 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 
 </section>
 <section id="the-grid-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">Grid</span></code> class<a class="headerlink" href="#the-grid-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">Grid</span></code> class<a class="headerlink" href="#the-grid-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE">
-<span id="_CPPv3I0_NSt6size_tE_bEN10libmolgrid4GridE"></span><span id="_CPPv2I0_NSt6size_tE_bEN10libmolgrid4GridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>A dense array of memory stored on the CPU. The memory is owned and managed external to this class. The location and size of the memory should not change during the lifetime of the grid. If isCUDA is true, data should only be accessed in kernels. </p>
+<span id="_CPPv3I0_NSt6size_tE_bEN10libmolgrid4GridE"></span><span id="_CPPv2I0_NSt6size_tE_bEN10libmolgrid4GridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="Link to this definition"></a><br /></dt>
+<dd><p>A dense array of memory. The memory is owned and managed external to this class. The isCUDA template parameter is kept for API compatibility; on Apple Silicon all memory is unified and accessible from both CPU and GPU. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid4typeE">
-<span id="_CPPv3N10libmolgrid4Grid4typeE"></span><span id="_CPPv2N10libmolgrid4Grid4typeE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid4typeE"></span><span id="_CPPv2N10libmolgrid4Grid4typeE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4typeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid9subgrid_tE">
-<span id="_CPPv3N10libmolgrid4Grid9subgrid_tE"></span><span id="_CPPv2N10libmolgrid4Grid9subgrid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">subgrid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9subgrid_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid9subgrid_tE"></span><span id="_CPPv2N10libmolgrid4Grid9subgrid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">subgrid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9subgrid_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid9managed_tE">
-<span id="_CPPv3N10libmolgrid4Grid9managed_tE"></span><span id="_CPPv2N10libmolgrid4Grid9managed_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">managed_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9managed_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid9managed_tE"></span><span id="_CPPv2N10libmolgrid4Grid9managed_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">managed_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9managed_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid10cpu_grid_tE">
-<span id="_CPPv3N10libmolgrid4Grid10cpu_grid_tE"></span><span id="_CPPv2N10libmolgrid4Grid10cpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10cpu_grid_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid10cpu_grid_tE"></span><span id="_CPPv2N10libmolgrid4Grid10cpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10cpu_grid_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid10gpu_grid_tE">
-<span id="_CPPv3N10libmolgrid4Grid10gpu_grid_tE"></span><span id="_CPPv2N10libmolgrid4Grid10gpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10gpu_grid_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid10gpu_grid_tE"></span><span id="_CPPv2N10libmolgrid4Grid10gpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10gpu_grid_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2797,128 +2822,127 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Grid</span>
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid10dimensionsEv">
-<span id="_CPPv3NK10libmolgrid4Grid10dimensionsEv"></span><span id="_CPPv2NK10libmolgrid4Grid10dimensionsEv"></span><span id="libmolgrid::Grid::dimensionsC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid10dimensionsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid10dimensionsEv"></span><span id="_CPPv2NK10libmolgrid4Grid10dimensionsEv"></span><span id="libmolgrid::Grid::dimensionsC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a8593beea5ae18a49e3b23a395a98aa2c"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid10dimensionsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>dimensions along each axis </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid9dimensionE6size_t">
-<span id="_CPPv3NK10libmolgrid4Grid9dimensionE6size_t"></span><span id="_CPPv2NK10libmolgrid4Grid9dimensionE6size_t"></span><span id="libmolgrid::Grid::dimension__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimension</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid9dimensionE6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid9dimensionE6size_t"></span><span id="_CPPv2NK10libmolgrid4Grid9dimensionE6size_t"></span><span id="libmolgrid::Grid::dimension__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimension</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid9dimensionE6size_t" title="Link to this definition"></a><br /></dt>
 <dd><p>dimensions along specified axis </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid7offsetsEv">
-<span id="_CPPv3NK10libmolgrid4Grid7offsetsEv"></span><span id="_CPPv2NK10libmolgrid4Grid7offsetsEv"></span><span id="libmolgrid::Grid::offsetsC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid7offsetsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid7offsetsEv"></span><span id="_CPPv2NK10libmolgrid4Grid7offsetsEv"></span><span id="libmolgrid::Grid::offsetsC"></span><span class="target" id="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid7offsetsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>offset for each dimension, all indexing calculations use this </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid6offsetE6size_t">
-<span id="_CPPv3NK10libmolgrid4Grid6offsetE6size_t"></span><span id="_CPPv2NK10libmolgrid4Grid6offsetE6size_t"></span><span id="libmolgrid::Grid::offset__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offset</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid6offsetE6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid6offsetE6size_t"></span><span id="_CPPv2NK10libmolgrid4Grid6offsetE6size_t"></span><span id="libmolgrid::Grid::offset__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offset</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid6offsetE6size_t" title="Link to this definition"></a><br /></dt>
 <dd><p>offset for each dimension, all indexing calculations use this </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid4sizeEv">
-<span id="_CPPv3NK10libmolgrid4Grid4sizeEv"></span><span id="_CPPv2NK10libmolgrid4Grid4sizeEv"></span><span id="libmolgrid::Grid::sizeC"></span><span class="target" id="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid4sizeEv"></span><span id="_CPPv2NK10libmolgrid4Grid4sizeEv"></span><span id="libmolgrid::Grid::sizeC"></span><span class="target" id="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>number of elements in grid </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4Grid4dataEv">
-<span id="_CPPv3NK10libmolgrid4Grid4dataEv"></span><span id="_CPPv2NK10libmolgrid4Grid4dataEv"></span><span id="libmolgrid::Grid::dataC"></span><span class="target" id="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid4dataEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4Grid4dataEv"></span><span id="_CPPv2NK10libmolgrid4Grid4dataEv"></span><span id="libmolgrid::Grid::dataC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4Grid4dataEv" title="Link to this definition"></a><br /></dt>
 <dd><p>pointer to underlying data </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid10set_bufferEP5Dtype">
-<span id="_CPPv3N10libmolgrid4Grid10set_bufferEP5Dtype"></span><span id="_CPPv2N10libmolgrid4Grid10set_bufferEP5Dtype"></span><span id="libmolgrid::Grid::set_buffer__DtypeP"></span><span class="target" id="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_buffer</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">ptr</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10set_bufferEP5Dtype" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid10set_bufferEP5Dtype"></span><span id="_CPPv2N10libmolgrid4Grid10set_bufferEP5Dtype"></span><span id="libmolgrid::Grid::set_buffer__DtypeP"></span><span class="target" id="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_buffer</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">ptr</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid10set_bufferEP5Dtype" title="Link to this definition"></a><br /></dt>
 <dd><p>set the underlying memory buffer - use with caution! </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid4GridEv">
-<span id="_CPPv3N10libmolgrid4Grid4GridEv"></span><span id="_CPPv2N10libmolgrid4Grid4GridEv"></span><span id="libmolgrid::Grid::Grid"></span><span class="target" id="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid4GridEv"></span><span id="_CPPv2N10libmolgrid4Grid4GridEv"></span><span id="libmolgrid::Grid::Grid"></span><span class="target" id="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Empty grid constructor. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I">
-<span id="_CPPv3IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I" title="libmolgrid::Grid::Grid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I" title="libmolgrid::Grid::Grid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4Grid4GridEPC5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> constructor. </p>
 <p>Provide pointer and dimensions specified as arguments </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid4GridEPC5DtypeP6size_t">
-<span id="_CPPv3N10libmolgrid4Grid4GridEPC5DtypeP6size_t"></span><span id="_CPPv2N10libmolgrid4Grid4GridEPC5DtypeP6size_t"></span><span id="libmolgrid::Grid::Grid__DtypePC.sP"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridEPC5DtypeP6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid4GridEPC5DtypeP6size_t"></span><span id="_CPPv2N10libmolgrid4Grid4GridEPC5DtypeP6size_t"></span><span id="libmolgrid::Grid::Grid__DtypePC.sP"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridEPC5DtypeP6size_t" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> constructor. </p>
 <p>Provide pointer and dimensions array specified as arguments. sizes must contain NumDims values. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid4GridERK4Grid">
-<span id="_CPPv3N10libmolgrid4Grid4GridERK4Grid"></span><span id="_CPPv2N10libmolgrid4Grid4GridERK4Grid"></span><span id="libmolgrid::Grid::Grid__GridCR"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad22da2de234b06dce1fc0a7017c4fcb0"></span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid4GridERK4Grid" title="libmolgrid::Grid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&amp;</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridERK4Grid" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid4GridERK4Grid"></span><span id="_CPPv2N10libmolgrid4Grid4GridERK4Grid"></span><span id="libmolgrid::Grid::Grid__GridCR"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad22da2de234b06dce1fc0a7017c4fcb0"></span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid4GridERK4Grid" title="libmolgrid::Grid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&amp;</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridERK4Grid" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4GridD0Ev">
-<span id="_CPPv3N10libmolgrid4GridD0Ev"></span><span id="_CPPv2N10libmolgrid4GridD0Ev"></span><span id="libmolgrid::Grid::~Grid"></span><span class="target" id="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555"></span><span class="sig-name descname"><span class="n"><span class="pre">~Grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4GridD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4GridD0Ev"></span><span id="_CPPv2N10libmolgrid4GridD0Ev"></span><span id="libmolgrid::Grid::~Grid"></span><span class="target" id="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555"></span><span class="sig-name descname"><span class="n"><span class="pre">~Grid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid4GridD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid4GridixE6size_t">
-<span id="_CPPv3NK10libmolgrid4GridixE6size_t"></span><span id="_CPPv2NK10libmolgrid4GridixE6size_t"></span><span id="libmolgrid::Grid::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid9subgrid_tE" title="libmolgrid::Grid::subgrid_t"><span class="n"><span class="pre">subgrid_t</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4GridixE6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid4GridixE6size_t"></span><span id="_CPPv2NK10libmolgrid4GridixE6size_t"></span><span id="libmolgrid::Grid::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid9subgrid_tE" title="libmolgrid::Grid::subgrid_t"><span class="n"><span class="pre">subgrid_t</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid4GridixE6size_t" title="Link to this definition"></a><br /></dt>
 <dd><p>Bracket indexing. </p>
 <p>Accessing data this way will be safe (indices are checked) and convenient, but not maximally efficient (unless the compiler is really good). Use operator() for fastest (but unchecked) access or access data directly. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpEN10libmolgrid4GridclER5DtypeDp1I">
-<span id="_CPPv3IDpEN10libmolgrid4GridclEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4GridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4GridclER5DtypeDp1I" title="libmolgrid::Grid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4GridclER5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpEN10libmolgrid4GridclEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4GridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4GridclER5DtypeDp1I" title="libmolgrid::Grid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4GridclER5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd><p>Initializer list indexing. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpENK10libmolgrid4GridclE5DtypeDp1I">
-<span id="_CPPv3IDpENK10libmolgrid4GridclEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid4GridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid4GridclE5DtypeDp1I" title="libmolgrid::Grid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid4GridclE5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpENK10libmolgrid4GridclEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid4GridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid4GridclE5DtypeDp1I" title="libmolgrid::Grid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid4GridclE5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpEN10libmolgrid4Grid7addressEP5DtypeDp1I">
-<span id="_CPPv3IDpEN10libmolgrid4Grid7addressEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4Grid7addressEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">address</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4Grid7addressEP5DtypeDp1I" title="libmolgrid::Grid::address::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4Grid7addressEP5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpEN10libmolgrid4Grid7addressEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid4Grid7addressEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">address</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid4Grid7addressEP5DtypeDp1I" title="libmolgrid::Grid::address::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid4Grid7addressEP5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd><p>Return memory address of specified index. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpENK10libmolgrid4Grid7addressEPK5DtypeDp1I">
-<span id="_CPPv3IDpENK10libmolgrid4Grid7addressEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid4Grid7addressEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ad16f3140a0985865efe01db743da33c2"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">address</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid4Grid7addressEPK5DtypeDp1I" title="libmolgrid::Grid::address::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid4Grid7addressEPK5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpENK10libmolgrid4Grid7addressEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid4Grid7addressEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">address</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid4Grid7addressEPK5DtypeDp1I" title="libmolgrid::Grid::address::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid4Grid7addressEPK5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bENK10libmolgrid4Grid6copyToE6size_tR4GridI5Dtype7NumDims8destCUDAE">
-<span id="_CPPv3I_bENK10libmolgrid4Grid6copyToER4GridI5Dtype7NumDims8destCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid4Grid6copyToER4GridI5Dtype7NumDims8destCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">destCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid4Grid6copyToE6size_tR4GridI5Dtype7NumDims8destCUDAE" title="libmolgrid::Grid::copyTo::destCUDA"><span class="n"><span class="pre">destCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid4Grid6copyToE6size_tR4GridI5Dtype7NumDims8destCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bENK10libmolgrid4Grid6copyToER4GridI5Dtype7NumDims8destCUDAE"></span><span id="_CPPv2I_bENK10libmolgrid4Grid6copyToER4GridI5Dtype7NumDims8destCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">destCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bENK10libmolgrid4Grid6copyToE6size_tR4GridI5Dtype7NumDims8destCUDAE" title="libmolgrid::Grid::copyTo::destCUDA"><span class="n"><span class="pre">destCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid4Grid6copyToE6size_tR4GridI5Dtype7NumDims8destCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>copy contents to dest </p>
 <p>Sizes should be the same, but will narrow as necessary. Will copy across device/host. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bEN10libmolgrid4Grid8copyFromE6size_tRK4GridI5Dtype7NumDims7srcCUDAE">
-<span id="_CPPv3I_bEN10libmolgrid4Grid8copyFromERK4GridI5Dtype7NumDims7srcCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid4Grid8copyFromERK4GridI5Dtype7NumDims7srcCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">srcCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid4Grid8copyFromE6size_tRK4GridI5Dtype7NumDims7srcCUDAE" title="libmolgrid::Grid::copyFrom::srcCUDA"><span class="n"><span class="pre">srcCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid4Grid8copyFromE6size_tRK4GridI5Dtype7NumDims7srcCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bEN10libmolgrid4Grid8copyFromERK4GridI5Dtype7NumDims7srcCUDAE"></span><span id="_CPPv2I_bEN10libmolgrid4Grid8copyFromERK4GridI5Dtype7NumDims7srcCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">srcCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I_bEN10libmolgrid4Grid8copyFromE6size_tRK4GridI5Dtype7NumDims7srcCUDAE" title="libmolgrid::Grid::copyFrom::srcCUDA"><span class="n"><span class="pre">srcCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I_bEN10libmolgrid4Grid8copyFromE6size_tRK4GridI5Dtype7NumDims7srcCUDAE" title="Link to this definition"></a><br /></dt>
 <dd><p>copy contents from src </p>
-<p>Sizes should be the same, but will narrow as necessary. Will copy across device/host. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid9fill_zeroEv">
-<span id="_CPPv3N10libmolgrid4Grid9fill_zeroEv"></span><span id="_CPPv2N10libmolgrid4Grid9fill_zeroEv"></span><span id="libmolgrid::Grid::fill_zero"></span><span class="target" id="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fill_zero</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9fill_zeroEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid9fill_zeroEv"></span><span id="_CPPv2N10libmolgrid4Grid9fill_zeroEv"></span><span id="libmolgrid::Grid::fill_zero"></span><span class="target" id="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fill_zero</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid9fill_zeroEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Set contents to zero. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t">
-<span id="_CPPv3N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t"></span><span id="_CPPv2N10libmolgrid4Grid4GridERK4GridI5DtypeXNumDims + 1E6isCUDAE6size_t"></span><span id="libmolgrid::Grid::Grid__Grid:Dtype.NumDims-+-1.isCUDA:CR.s"></span><span class="target" id="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">explicit</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t" title="libmolgrid::Grid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">+</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">G</span></span>, <span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t"></span><span id="_CPPv2N10libmolgrid4Grid4GridERK4GridI5DtypeXNumDims + 1E6isCUDAE6size_t"></span><span id="libmolgrid::Grid::Grid__Grid:Dtype.NumDims-+-1.isCUDA:CR.s"></span><span class="target" id="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">explicit</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Grid</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t" title="libmolgrid::Grid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">+</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">G</span></span>, <span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid4GridERK4GridI5DtypeXpl7NumDimsL1EE6isCUDAE6size_t" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2926,12 +2950,12 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Grid</span>
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-attributes">Public Static Attributes</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid1NE">
-<span id="_CPPv3N10libmolgrid4Grid1NE"></span><span id="_CPPv2N10libmolgrid4Grid1NE"></span><span id="libmolgrid::Grid::N__s"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="k"><span class="pre">constexpr</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid1NE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid1NE"></span><span id="_CPPv2N10libmolgrid4Grid1NE"></span><span id="libmolgrid::Grid::N__s"></span><span class="target" id="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid1NE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid4Grid3GPUE">
-<span id="_CPPv3N10libmolgrid4Grid3GPUE"></span><span id="_CPPv2N10libmolgrid4Grid3GPUE"></span><span id="libmolgrid::Grid::GPU__b"></span><span class="target" id="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="k"><span class="pre">constexpr</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GPU</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid3GPUE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid4Grid3GPUE"></span><span id="_CPPv2N10libmolgrid4Grid3GPUE"></span><span id="libmolgrid::Grid::GPU__b"></span><span class="target" id="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GPU</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid4Grid3GPUE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -2939,19 +2963,19 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Grid</span>
 
 </section>
 <section id="the-gridmaker-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class<a class="headerlink" href="#the-gridmaker-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class<a class="headerlink" href="#the-gridmaker-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMakerE">
-<span id="_CPPv3N10libmolgrid9GridMakerE"></span><span id="_CPPv2N10libmolgrid9GridMakerE"></span><span id="libmolgrid::GridMaker"></span><span class="target" id="classlibmolgrid_1_1GridMaker"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">GridMaker</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMakerE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMakerE"></span><span id="_CPPv2N10libmolgrid9GridMakerE"></span><span id="libmolgrid::GridMaker"></span><span class="target" id="classlibmolgrid_1_1GridMaker"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GridMaker</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMakerE" title="Link to this definition"></a><br /></dt>
 <dd><p>Populates a grid with atom density values that correspond to atoms in a <a class="reference internal" href="#structlibmolgrid_1_1CoordinateSet"><span class="std std-ref">CoordinateSet</span></a> and accumulates atomic gradients from the grid gradients. It stores state about universal grid settings. In functions that map from atomic coordinates to grids and vice versa (e.g. forward and backward), it must be passed the grid_center (which may have changed due to transformations performed directly on the atom coordinates externally to this class) </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker9GridMakerEffbbff">
-<span id="_CPPv3N10libmolgrid9GridMaker9GridMakerEffbbff"></span><span id="_CPPv2N10libmolgrid9GridMaker9GridMakerEffbbff"></span><span id="libmolgrid::GridMaker::GridMaker__float.float.b.b.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GridMaker</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bin</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rti</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rscale</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grm</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker9GridMakerEffbbff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker9GridMakerEffbbff"></span><span id="_CPPv2N10libmolgrid9GridMaker9GridMakerEffbbff"></span><span id="libmolgrid::GridMaker::GridMaker__float.float.b.b.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GridMaker</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bin</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rti</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rscale</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grm</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker9GridMakerEffbbff" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1GridMaker"><span class="std std-ref">GridMaker</span></a> contructor. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>res</strong> – <strong>[in]</strong> resolution of grid in Angstroms </p></li>
 <li><p><strong>d</strong> – <strong>[in]</strong> dimension of cubic grid side in Angstroms </p></li>
@@ -2966,15 +2990,15 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMakerD0Ev">
-<span id="_CPPv3N10libmolgrid9GridMakerD0Ev"></span><span id="_CPPv2N10libmolgrid9GridMakerD0Ev"></span><span id="libmolgrid::GridMaker::~GridMaker"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a54fa13dfd001613833b671405187f74b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GridMaker</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMakerD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMakerD0Ev"></span><span id="_CPPv2N10libmolgrid9GridMakerD0Ev"></span><span id="libmolgrid::GridMaker::~GridMaker"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a54fa13dfd001613833b671405187f74b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~GridMaker</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMakerD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker10initializeEffbff">
-<span id="_CPPv3N10libmolgrid9GridMaker10initializeEffbff"></span><span id="_CPPv2N10libmolgrid9GridMaker10initializeEffbff"></span><span id="libmolgrid::GridMaker::initialize__float.float.b.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">initialize</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bin</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rscale</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grm</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker10initializeEffbff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker10initializeEffbff"></span><span id="_CPPv2N10libmolgrid9GridMaker10initializeEffbff"></span><span id="libmolgrid::GridMaker::initialize__float.float.b.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">initialize</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bin</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">rscale</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grm</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1.0</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker10initializeEffbff" title="Link to this definition"></a><br /></dt>
 <dd><p>Initialize grid settings. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>res</strong> – <strong>[in]</strong> resolution of grid in Angstroms </p></li>
 <li><p><strong>d</strong> – <strong>[in]</strong> dimension of cubic grid side in Angstroms </p></li>
@@ -2988,75 +3012,75 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker13get_grid_dimsEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker13get_grid_dimsEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_grid_dimsEv"></span><span id="libmolgrid::GridMaker::get_grid_dimsC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_grid_dims</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_grid_dimsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker13get_grid_dimsEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_grid_dimsEv"></span><span id="libmolgrid::GridMaker::get_grid_dimsC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_grid_dims</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_grid_dimsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return spatial dimensions of grid </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker14get_resolutionEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker14get_resolutionEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker14get_resolutionEv"></span><span id="libmolgrid::GridMaker::get_resolutionC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_resolution</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker14get_resolutionEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker14get_resolutionEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker14get_resolutionEv"></span><span id="libmolgrid::GridMaker::get_resolutionC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_resolution</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker14get_resolutionEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return resolution in Angstroms </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker14set_resolutionEf">
-<span id="_CPPv3N10libmolgrid9GridMaker14set_resolutionEf"></span><span id="_CPPv2N10libmolgrid9GridMaker14set_resolutionEf"></span><span id="libmolgrid::GridMaker::set_resolution__float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_resolution</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker14set_resolutionEf" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker14set_resolutionEf"></span><span id="_CPPv2N10libmolgrid9GridMaker14set_resolutionEf"></span><span id="libmolgrid::GridMaker::set_resolution__float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_resolution</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">res</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker14set_resolutionEf" title="Link to this definition"></a><br /></dt>
 <dd><p>set resolution in Angstroms </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker13get_dimensionEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker13get_dimensionEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_dimensionEv"></span><span id="libmolgrid::GridMaker::get_dimensionC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a913c32e731985d3bf13d38da3eb8fbdc"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_dimension</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_dimensionEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker13get_dimensionEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_dimensionEv"></span><span id="libmolgrid::GridMaker::get_dimensionC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a913c32e731985d3bf13d38da3eb8fbdc"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_dimension</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_dimensionEv" title="Link to this definition"></a><br /></dt>
 <dd><p>get dimension in Angstroms </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker13set_dimensionEf">
-<span id="_CPPv3N10libmolgrid9GridMaker13set_dimensionEf"></span><span id="_CPPv2N10libmolgrid9GridMaker13set_dimensionEf"></span><span id="libmolgrid::GridMaker::set_dimension__float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_dimension</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker13set_dimensionEf" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker13set_dimensionEf"></span><span id="_CPPv2N10libmolgrid9GridMaker13set_dimensionEf"></span><span id="libmolgrid::GridMaker::set_dimension__float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_dimension</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">d</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker13set_dimensionEf" title="Link to this definition"></a><br /></dt>
 <dd><p>set dimension in Angstroms </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker13get_first_dimEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker13get_first_dimEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_first_dimEv"></span><span id="libmolgrid::GridMaker::get_first_dimC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a35c10485c3709bff6c3976aae006590e"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_first_dim</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_first_dimEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker13get_first_dimEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_first_dimEv"></span><span id="libmolgrid::GridMaker::get_first_dimC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a35c10485c3709bff6c3976aae006590e"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_first_dim</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_first_dimEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker10get_binaryEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker10get_binaryEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker10get_binaryEv"></span><span id="libmolgrid::GridMaker::get_binaryC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1acc9dc2f277b5ceed6789a7c959c9017c"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_binary</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker10get_binaryEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker10get_binaryEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker10get_binaryEv"></span><span id="libmolgrid::GridMaker::get_binaryC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1acc9dc2f277b5ceed6789a7c959c9017c"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_binary</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker10get_binaryEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return if density is binary </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker10set_binaryEb">
-<span id="_CPPv3N10libmolgrid9GridMaker10set_binaryEb"></span><span id="_CPPv2N10libmolgrid9GridMaker10set_binaryEb"></span><span id="libmolgrid::GridMaker::set_binary__b"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_binary</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker10set_binaryEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker10set_binaryEb"></span><span id="_CPPv2N10libmolgrid9GridMaker10set_binaryEb"></span><span id="libmolgrid::GridMaker::set_binary__b"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_binary</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker10set_binaryEb" title="Link to this definition"></a><br /></dt>
 <dd><p>set if density is binary </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker22get_radii_type_indexedEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker22get_radii_type_indexedEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker22get_radii_type_indexedEv"></span><span id="libmolgrid::GridMaker::get_radii_type_indexedC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ada33a2c215eedf1d2bdb1c74c7fb111a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_radii_type_indexed</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker22get_radii_type_indexedEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker22get_radii_type_indexedEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker22get_radii_type_indexedEv"></span><span id="libmolgrid::GridMaker::get_radii_type_indexedC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ada33a2c215eedf1d2bdb1c74c7fb111a"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_radii_type_indexed</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker22get_radii_type_indexedEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return if radius array should be indexed by type id (for vector types) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker22set_radii_type_indexedEb">
-<span id="_CPPv3N10libmolgrid9GridMaker22set_radii_type_indexedEb"></span><span id="_CPPv2N10libmolgrid9GridMaker22set_radii_type_indexedEb"></span><span id="libmolgrid::GridMaker::set_radii_type_indexed__b"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_radii_type_indexed</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker22set_radii_type_indexedEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker22set_radii_type_indexedEb"></span><span id="_CPPv2N10libmolgrid9GridMaker22set_radii_type_indexedEb"></span><span id="libmolgrid::GridMaker::set_radii_type_indexed__b"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_radii_type_indexed</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker22set_radii_type_indexedEb" title="Link to this definition"></a><br /></dt>
 <dd><p>set if radius array should be indexed by type id, not atom </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker18get_radiusmultipleEv">
-<span id="_CPPv3NK10libmolgrid9GridMaker18get_radiusmultipleEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker18get_radiusmultipleEv"></span><span id="libmolgrid::GridMaker::get_radiusmultipleC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_radiusmultiple</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker18get_radiusmultipleEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker18get_radiusmultipleEv"></span><span id="_CPPv2NK10libmolgrid9GridMaker18get_radiusmultipleEv"></span><span id="libmolgrid::GridMaker::get_radiusmultipleC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_radiusmultiple</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker18get_radiusmultipleEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return multiplier of radius where density goes to zero </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker15get_grid_originERK6float3">
-<span id="_CPPv3NK10libmolgrid9GridMaker15get_grid_originERK6float3"></span><span id="_CPPv2NK10libmolgrid9GridMaker15get_grid_originERK6float3"></span><span id="libmolgrid::GridMaker::get_grid_origin__float3CRC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_grid_origin</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_center</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker15get_grid_originERK6float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker15get_grid_originERK6float3"></span><span id="_CPPv2NK10libmolgrid9GridMaker15get_grid_originERK6float3"></span><span id="libmolgrid::GridMaker::get_grid_origin__float3CRC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_grid_origin</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_center</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker15get_grid_originERK6float3" title="Link to this definition"></a><br /></dt>
 <dd><p>Use externally specified grid_center to determine where grid begins. Used for translating between cartesian coords and grids. </p>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>grid_center</strong> – <strong>[in]</strong> - center </p></li>
 <li><p><strong>grid</strong> – <strong>[out]</strong> bounds </p></li>
@@ -3067,132 +3091,132 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK13CoordinateSetR4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK13CoordinateSetR4GridI5DtypeXL4EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE">
-<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleRK9TransformR4GridI5DtypeX4E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9TransformE" title="libmolgrid::Transform"><span class="n"><span class="pre">Transform</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">transform</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleRK9TransformR4GridI5DtypeX4E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid9TransformE" title="libmolgrid::Transform"><span class="n"><span class="pre">Transform</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">transform</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleRK9TransformR4GridI5DtypeXL4EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3">
-<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleR4GridI5DtypeX4E6isCUDAEfbRK6float3"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">center</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERK7ExampleR4GridI5DtypeX4E6isCUDAEfbRK6float3"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">center</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">INFINITY</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRK7ExampleR4GridI5DtypeXL4EE6isCUDAEfbRK6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb">
-<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERKNSt6vectorI7ExampleEER4GridI5DtypeX5E6isCUDAEfb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aac980d7c511bc6f9323788892ae103f9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">5</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_bENK10libmolgrid9GridMaker7forwardERKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb"></span><span id="_CPPv2I0_bENK10libmolgrid9GridMaker7forwardERKNSt6vectorI7ExampleEER4GridI5DtypeX5E6isCUDAEfb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aac980d7c511bc6f9323788892ae103f9"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">5</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotation</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9GridMaker7forwardEvRKNSt6vectorI7ExampleEER4GridI5DtypeXL5EE6isCUDAEfb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEER4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEER4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEER4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aae319692941bdf08cdc099fe00d17008"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEER4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aae319692941bdf08cdc099fe00d17008"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEER4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEER4GridI5DtypeX4EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEER4GridI5DtypeXL4EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEER4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ab0b1c2667f95deecad72ff0901cbabfa"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker7forwardE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEER4GridI5DtypeX4EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ab0b1c2667f95deecad72ff0901cbabfa"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vector</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker7forwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEER4GridI5DtypeXL4EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE">
-<span id="_CPPv3I0_i_bENK10libmolgrid9GridMaker7forwardERK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE"></span><span id="_CPPv2I0_i_bENK10libmolgrid9GridMaker7forwardERK4GridIfX2E6isCUDAERK4GridIfX3E6isCUDAERK4GridIf1N6isCUDAERK4GridIfX2E6isCUDAER4GridI5DtypeX5E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">centers</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::N"><span class="n"><span class="pre">N</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">types</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">5</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_i_bENK10libmolgrid9GridMaker7forwardERK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE"></span><span id="_CPPv2I0_i_bENK10libmolgrid9GridMaker7forwardERK4GridIfX2E6isCUDAERK4GridIfX3E6isCUDAERK4GridIf1N6isCUDAERK4GridIfX2E6isCUDAER4GridI5DtypeX5E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">centers</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::N"><span class="n"><span class="pre">N</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">types</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">5</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="libmolgrid::GridMaker::forward::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_i_bENK10libmolgrid9GridMaker7forwardEvRK4GridIfXL2EE6isCUDAERK4GridIfXL3EE6isCUDAERK4GridIf1N6isCUDAERK4GridIfXL2EE6isCUDAER4GridI5DtypeXL5EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atomic_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a8e5f02ebf9ddcd49efa83ff97d2d4292"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a8e5f02ebf9ddcd49efa83ff97d2d4292"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9983c8842c0a051af69c9bfa2b71d62d"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker8backwardE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9983c8842c0a051af69c9bfa2b71d62d"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker8backwardEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX2EXfalseEERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfX2EXfalseEERK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX2EXfalseEERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX2EXtrueEERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ae05af91cad9785fc671c57c1488d6934"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK4GridIfX2EXtrueEERK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX2EXtrueEERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ae05af91cad9785fc671c57c1488d6934"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_vectors</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE">
-<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX2EXfalseEERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX2EXfalseEERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX4EXfalseEER4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL2EEXL0EEERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE">
-<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX2EXtrueEERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE"></span><span id="_CPPv2I0EN10libmolgrid9GridMaker18backward_gradientsE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX2EXtrueEERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX4EXtrueEER4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_gradients</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_gradients</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_gradients</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">atom_diffdiff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="libmolgrid::GridMaker::backward_gradients::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_diffdiff</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid9GridMaker18backward_gradientsEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL2EEXL1EEERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX1EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX1EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX1EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK13CoordinateSetRK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX1EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK13CoordinateSetRK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX1EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfX2EXfalseEERK4GridIfX1EXfalseEERK4GridIfX1EXfalseEERK4GridI5DtypeX4EXfalseEERK4GridI5DtypeX4EXfalseEER4GridI5DtypeX1EXfalseEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL0EEERK4GridIfXL1EEXL0EEERK4GridIfXL1EEXL0EEERK4GridI5DtypeXL4EEXL0EEERK4GridI5DtypeXL4EEXL0EEER4GridI5DtypeXL1EEXL0EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX1EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac912f62cc430d5cfe2c32c9a6fd62539"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker18backward_relevanceE6float3RK4GridIfX2EXtrueEERK4GridIfX1EXtrueEERK4GridIfX1EXtrueEERK4GridI5DtypeX4EXtrueEERK4GridI5DtypeX4EXtrueEER4GridI5DtypeX1EXtrueEE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1ac912f62cc430d5cfe2c32c9a6fd62539"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward_relevance</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_center</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coords</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_index</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">radii</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">4</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="libmolgrid::GridMaker::backward_relevance::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">relevance</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker18backward_relevanceEv6float3RK4GridIfXL2EEXL1EEERK4GridIfXL1EEXL1EEERK4GridIfXL1EEXL1EEERK4GridI5DtypeXL4EEXL1EEERK4GridI5DtypeXL4EEXL1EEER4GridI5DtypeXL1EEXL1EEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
@@ -3207,75 +3231,62 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuE6float3RK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_atom_gradient_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuE6float3RK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_gradient_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuE6float3RK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_atom_gradient_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuE6float3RK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_gradient_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_atom_gradient_cpuE6float3RK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_type_gradient_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_type_gradient_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_type_gradient_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_type_gradient_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker22calc_type_gradient_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEEf" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf">
-<span id="_CPPv3I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEERK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_atom_relevance_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_relevance_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_relevance_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuERK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf"></span><span id="_CPPv2I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuERK6float3RK6Grid1fRK4GridI5DtypeX3EXfalseEERK4GridI5DtypeX3EXfalseEEf"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_atom_relevance_cpu</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">Grid1f</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_relevance_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">density</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="libmolgrid::GridMaker::calc_atom_relevance_cpu::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">3</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">diff</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9GridMaker23calc_atom_relevance_cpuEfRK6float3RK6Grid1fRK4GridI5DtypeXL3EEXL0EEERK4GridI5DtypeXL3EEXL0EEEf" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker13get_bounds_1dEKfff">
-<span id="_CPPv3NK10libmolgrid9GridMaker13get_bounds_1dEKfff"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_bounds_1dEKfff"></span><span id="libmolgrid::GridMaker::get_bounds_1d__floatC.float.floatC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="n"><span class="pre">uint2</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_bounds_1d</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">densityrad</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_bounds_1dEKfff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker13get_bounds_1dEKfff"></span><span id="_CPPv2NK10libmolgrid9GridMaker13get_bounds_1dEKfff"></span><span id="libmolgrid::GridMaker::get_bounds_1d__floatC.float.floatC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="n"><span class="pre">uint2</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_bounds_1d</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">grid_origin</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">coord</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">densityrad</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker13get_bounds_1dEKfff" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I_bENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">
-<span id="_CPPv3I_bENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span id="_CPPv2I_bENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Binary</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_point</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_coords</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I_bENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span id="_CPPv2I_bENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Binary</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_point</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_coords</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I_bENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker17density_grad_distEff">
-<span id="_CPPv3NK10libmolgrid9GridMaker17density_grad_distEff"></span><span id="_CPPv2NK10libmolgrid9GridMaker17density_grad_distEff"></span><span id="libmolgrid::GridMaker::density_grad_dist__float.floatC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">density_grad_dist</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker17density_grad_distEff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker17density_grad_distEff"></span><span id="_CPPv2NK10libmolgrid9GridMaker17density_grad_distEff"></span><span id="libmolgrid::GridMaker::density_grad_dist__float.floatC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">density_grad_dist</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker17density_grad_distEff" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker14type_grad_gradEffff">
-<span id="_CPPv3N10libmolgrid9GridMaker14type_grad_gradEffff"></span><span id="_CPPv2N10libmolgrid9GridMaker14type_grad_gradEffff"></span><span id="libmolgrid::GridMaker::type_grad_grad__float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_grad_grad</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker14type_grad_gradEffff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker14type_grad_gradEffff"></span><span id="_CPPv2N10libmolgrid9GridMaker14type_grad_gradEffff"></span><span id="libmolgrid::GridMaker::type_grad_grad__float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type_grad_grad</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker14type_grad_gradEffff" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker22atom_density_grad_gradEffff">
-<span id="_CPPv3N10libmolgrid9GridMaker22atom_density_grad_gradEffff"></span><span id="_CPPv2N10libmolgrid9GridMaker22atom_density_grad_gradEffff"></span><span id="libmolgrid::GridMaker::atom_density_grad_grad__float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">atom_density_grad_grad</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker22atom_density_grad_gradEffff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker22atom_density_grad_gradEffff"></span><span id="_CPPv2N10libmolgrid9GridMaker22atom_density_grad_gradEffff"></span><span id="libmolgrid::GridMaker::atom_density_grad_grad__float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">atom_density_grad_grad</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker22atom_density_grad_gradEffff" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff">
-<span id="_CPPv3N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff"></span><span id="_CPPv2N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff"></span><span id="libmolgrid::GridMaker::atom_density_grad_grad_other__float.float.float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">atom_density_grad_grad_other</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff"></span><span id="_CPPv2N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff"></span><span id="libmolgrid::GridMaker::atom_density_grad_grad_other__float.float.float.float.float.float"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">atom_density_grad_grad_other</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">a</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">b</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dist</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9GridMaker28atom_density_grad_grad_otherEffffff" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3">
-<span id="_CPPv3NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3"></span><span id="_CPPv2NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3"></span><span id="libmolgrid::GridMaker::accumulate_atom_gradient__float.float.float.float.float.float.float.float.float3RC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">accumulate_atom_gradient</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">gridval</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">agrad</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3" title="Permalink to this definition"></a><br /></dt>
-<dd></dd></dl>
-
-</div>
-<div class="breathe-sectiondef docutils container">
-<p class="breathe-sectiondef-title rubric" id="breathe-section-title-friends">Friends</p>
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1GridMaker_1a78e5d71de887018422348e93cb5b23aa"></span><span class="sig-name descname"><span class="pre">template&lt;typename</span> <span class="pre">Dtype&gt;</span> <span class="pre">friend</span> <span class="pre">__global__</span> <span class="pre">friend</span> <span class="pre">void</span> <span class="pre">set_atom_gradients</span> <span class="pre">(GridMaker</span> <span class="pre">G,</span> <span class="pre">float3</span> <span class="pre">grid_center,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">coords,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">type_index,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">radii,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">grid,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">atom_gradients)</span></span></dt>
+<span id="_CPPv3NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3"></span><span id="_CPPv2NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3"></span><span id="libmolgrid::GridMaker::accumulate_atom_gradient__float.float.float.float.float.float.float.float.float3RC"></span><span class="target" id="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">accumulate_atom_gradient</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">radius</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">gridval</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">agrad</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9GridMaker24accumulate_atom_gradientEffffffffR6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1GridMaker_1a0f8e4c693386a6b58e6214dbf5d6bc24"></span><span class="sig-name descname"><span class="pre">template&lt;typename</span> <span class="pre">Dtype,</span> <span class="pre">bool</span> <span class="pre">RadiiFromTypes&gt;</span> <span class="pre">friend</span> <span class="pre">__global__</span> <span class="pre">friend</span> <span class="pre">void</span> <span class="pre">set_atom_type_gradients</span> <span class="pre">(GridMaker</span> <span class="pre">G,</span> <span class="pre">float3</span> <span class="pre">grid_origin,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">coords,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">type_vector,</span> <span class="pre">unsigned</span> <span class="pre">ntypes,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">radii,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">grid,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">atom_gradients,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">type_gradients)</span></span></dt>
-<dd></dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1GridMaker_1a946f6c876cf2f5c56798d87eb0064826"></span><span class="sig-name descname"><span class="pre">template&lt;typename</span> <span class="pre">Dtype,</span> <span class="pre">bool</span> <span class="pre">RadiiFromTypes&gt;</span> <span class="pre">friend</span> <span class="pre">__global__</span> <span class="pre">friend</span> <span class="pre">void</span> <span class="pre">set_atom_type_grad_grad</span> <span class="pre">(GridMaker</span> <span class="pre">G,</span> <span class="pre">float3</span> <span class="pre">grid_origin,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">coords,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">type_vector,</span> <span class="pre">unsigned</span> <span class="pre">ntypes,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">radii,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">diff,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">atom_gradients,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">type_gradients,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">diffdiff,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">atom_diffdiff,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">2,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">type_diffdiff)</span></span></dt>
+<dt class="sig sig-object cpp" id="_CPPv4IENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3">
+<span id="_CPPv3IENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span id="_CPPv2IENK10libmolgrid9GridMaker10calc_pointEffffRK6float3"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_point</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_coords</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IENK10libmolgrid9GridMaker10calc_pointEfffffRK6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1GridMaker_1a444de74b426b899118ea5e869b0387c6"></span><span class="sig-name descname"><span class="pre">template&lt;typename</span> <span class="pre">Dtype&gt;</span> <span class="pre">friend</span> <span class="pre">__global__</span> <span class="pre">friend</span> <span class="pre">void</span> <span class="pre">set_atom_relevance</span> <span class="pre">(GridMaker</span> <span class="pre">G,</span> <span class="pre">float3</span> <span class="pre">grid_origin,</span> <span class="pre">Grid2fCUDA</span> <span class="pre">coords,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">type_index,</span> <span class="pre">Grid1fCUDA</span> <span class="pre">radii,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">densitygrid,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">4,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">diffgrid,</span> <span class="pre">Grid&lt;</span> <span class="pre">Dtype,</span> <span class="pre">1,</span> <span class="pre">true</span> <span class="pre">&gt;</span> <span class="pre">relevance)</span></span></dt>
+<span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba"></span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">calc_point</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ax</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ay</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">az</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">grid_coords</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3283,95 +3294,95 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 </section>
 <section id="the-groupedexamplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">GroupedExampleRefProvider</span></code> class<a class="headerlink" href="#the-groupedexamplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">GroupedExampleRefProvider</span></code> class<a class="headerlink" href="#the-groupedexamplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid25GroupedExampleRefProviderE">
-<span id="_CPPv3I0EN10libmolgrid25GroupedExampleRefProviderE"></span><span id="_CPPv2I0EN10libmolgrid25GroupedExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0EN10libmolgrid25GroupedExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid25GroupedExampleRefProviderE"></span><span id="_CPPv2I0EN10libmolgrid25GroupedExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0EN10libmolgrid25GroupedExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>group multiple grids into a single example For example, multiple frames of an MD simulation that will be processed by an RNN. next() returns the next frame for the next example in the batch; traversal is row-major with layout TxN. Frames are maintained in the order they are added. There is a fixed batch and time series (group) size. </p>
 <p>The group is specified in the first column. Although labels are permitted to vary across group members, only the labels of the first frame will be used for balancing/stratification. If fewer frames are specified than the maxgroupsize, they will be padded with “none” and the labels set to NaN </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv"></span><span id="libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv"></span><span id="libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">parm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">GroupedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">parm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider25GroupedExampleRefProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::GroupedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::GroupedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider5setupEv"></span><span id="libmolgrid::GroupedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider5setupEv"></span><span id="libmolgrid::GroupedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::GroupedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::GroupedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::GroupedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::GroupedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::GroupedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::GroupedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::GroupedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::GroupedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider4sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider4sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::GroupedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider5resetEv"></span><span id="libmolgrid::GroupedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider5resetEv"></span><span id="libmolgrid::GroupedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::GroupedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::GroupedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::GroupedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::GroupedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::GroupedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::GroupedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25GroupedExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
@@ -3380,37 +3391,37 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GroupedExam
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider8examplesE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider8examplesE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider8examplesE"></span><span id="libmolgrid::GroupedExampleRefProvider::examples__Provider"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1af81fd893331f7fd44ab5354517354ed2"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid25GroupedExampleRefProviderE" title="libmolgrid::GroupedExampleRefProvider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider8examplesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider8examplesE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider8examplesE"></span><span id="libmolgrid::GroupedExampleRefProvider::examples__Provider"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1af81fd893331f7fd44ab5354517354ed2"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid25GroupedExampleRefProviderE" title="libmolgrid::GroupedExampleRefProvider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider8examplesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider10batch_sizeE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider10batch_sizeE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider10batch_sizeE"></span><span id="libmolgrid::GroupedExampleRefProvider::batch_size__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a5cfa089271ef41687cbe76f907b4c8bf"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">batch_size</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider10batch_sizeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider10batch_sizeE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider10batch_sizeE"></span><span id="libmolgrid::GroupedExampleRefProvider::batch_size__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a5cfa089271ef41687cbe76f907b4c8bf"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">batch_size</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider10batch_sizeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE"></span><span id="libmolgrid::GroupedExampleRefProvider::maxgroupsize__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1acc3e1634a8ecef5af8c46e1b9a452716"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">maxgroupsize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE"></span><span id="libmolgrid::GroupedExampleRefProvider::maxgroupsize__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1acc3e1634a8ecef5af8c46e1b9a452716"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">maxgroupsize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider12maxgroupsizeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider12frame_groupsE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider12frame_groupsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider12frame_groupsE"></span><span id="libmolgrid::GroupedExampleRefProvider::frame_groups__std::unordered_map:i.std::vector:ExampleRef::"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a3d2cdd2733826b97f62830abd42450d3"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">frame_groups</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider12frame_groupsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider12frame_groupsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider12frame_groupsE"></span><span id="libmolgrid::GroupedExampleRefProvider::frame_groups__std::unordered_map:i.std::vector:ExampleRef::"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a3d2cdd2733826b97f62830abd42450d3"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">frame_groups</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider12frame_groupsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider10current_tsE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider10current_tsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider10current_tsE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_ts__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac5b3946d6c76d75fb1c1449e7bc1cdc3"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_ts</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider10current_tsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider10current_tsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider10current_tsE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_ts__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac5b3946d6c76d75fb1c1449e7bc1cdc3"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_ts</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider10current_tsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider19current_group_indexE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider19current_group_indexE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider19current_group_indexE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_group_index__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0e85de43d9299f55ea04908d75e6df6a"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_group_index</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider19current_group_indexE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider19current_group_indexE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider19current_group_indexE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_group_index__unsigned"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0e85de43d9299f55ea04908d75e6df6a"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_group_index</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider19current_group_indexE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25GroupedExampleRefProvider14current_groupsE">
-<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider14current_groupsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider14current_groupsE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_groups__std::vector:i:"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1abec18a1af63402d18d9a9dde26020285"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_groups</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider14current_groupsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25GroupedExampleRefProvider14current_groupsE"></span><span id="_CPPv2N10libmolgrid25GroupedExampleRefProvider14current_groupsE"></span><span id="libmolgrid::GroupedExampleRefProvider::current_groups__std::vector:i:"></span><span class="target" id="classlibmolgrid_1_1GroupedExampleRefProvider_1abec18a1af63402d18d9a9dde26020285"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_groups</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25GroupedExampleRefProvider14current_groupsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3418,25 +3429,36 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">GroupedExam
 
 </section>
 <section id="the-managedgrid-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid</span></code> class<a class="headerlink" href="#the-managedgrid-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid</span></code> class<a class="headerlink" href="#the-managedgrid-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE">
-<span id="_CPPv3I0_NSt6size_tEEN10libmolgrid11ManagedGridE"></span><span id="_CPPv2I0_NSt6size_tEEN10libmolgrid11ManagedGridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_NSt6size_tEEN10libmolgrid11ManagedGridE"></span><span id="_CPPv2I0_NSt6size_tEEN10libmolgrid11ManagedGridE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="Link to this definition"></a><br /></dt>
 <dd><p>A dense grid whose memory is managed by the class. </p>
-<p>Memory is allocated as unified memory so it can be safely accessed from either the CPU or GPU. Note that while the memory is accessible on the GPU, <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid</span></a> objects should only be used directly on the host. Device code should use a <a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> view of the <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid</span></a>. Accessing <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid</span></a> data from the host while the GPU is writing to the grid will result in undefined behavior.</p>
-<p>If CUDA fails to allocate unified memory (presumably due to lack of GPUs), host-only memory will be used instead.</p>
-<p><a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> is a container class of <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid</span></a> instead of a base class. Explicit transformation to a <a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> view is required to clearly indicate how the memory should be accessed. This can be done with cpu and gpu methods or by an explicit cast to <a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a>.</p>
-<p>There are two class specialization to support bracket indexing. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE">
-<span id="_CPPv3N10libmolgrid11ManagedGrid9subgrid_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid9subgrid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">subgrid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11ManagedGrid9subgrid_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid9subgrid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">subgrid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid6base_tE">
-<span id="_CPPv3N10libmolgrid11ManagedGrid6base_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid6base_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">base_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid6base_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11ManagedGrid6base_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid6base_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">base_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid6base_tE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp type">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid10gpu_grid_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid10gpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp type">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid10cpu_grid_tE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid10cpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp type">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid4typeE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid4typeE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid4typeE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid4typeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3444,53 +3466,223 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid11ManagedGridEv">
-<span id="_CPPv3N10libmolgrid11ManagedGrid11ManagedGridEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid11ManagedGridEv"></span><span id="libmolgrid::ManagedGrid::ManagedGrid"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50"></span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid11ManagedGridEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11ManagedGrid11ManagedGridEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid11ManagedGridEv"></span><span id="libmolgrid::ManagedGrid::ManagedGrid"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50"></span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">default</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid11ManagedGridEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I">
-<span id="_CPPv3IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I"></span><span id="_CPPv2IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">enable_if</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">sizeof</span></span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">(</span></span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="libmolgrid::ManagedGrid::ManagedGrid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">)</span></span><span class="w"> </span><span class="o"><span class="pre">==</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="libmolgrid::ManagedGrid::ManagedGrid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I"></span><span id="_CPPv2IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">enable_if</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">sizeof</span></span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">(</span></span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="libmolgrid::ManagedGrid::ManagedGrid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">)</span></span><span class="w"> </span><span class="o"><span class="pre">==</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGrid</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="libmolgrid::ManagedGrid::ManagedGrid::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid11ManagedGridEDp1I" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGridixE6size_t">
-<span id="_CPPv3NK10libmolgrid11ManagedGridixE6size_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGridixE6size_t"></span><span id="libmolgrid::ManagedGrid::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE" title="libmolgrid::ManagedGrid::subgrid_t"><span class="n"><span class="pre">subgrid_t</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGridixE6size_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Bracket indexing. </p>
-<p>Accessing data this way will be safe (indices are checked) and convenient, but not maximally efficient (unless the compiler is really good). Use operator() for fastest (but unchecked) access or access data directly. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid11ManagedGridixE6size_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGridixE6size_t"></span><span id="libmolgrid::ManagedGrid::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid9subgrid_tE" title="libmolgrid::ManagedGrid::subgrid_t"><span class="n"><span class="pre">subgrid_t</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGridixE6size_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid5cloneEv">
-<span id="_CPPv3NK10libmolgrid11ManagedGrid5cloneEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5cloneEv"></span><span id="libmolgrid::ManagedGrid::cloneC"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a7ff8e1562862acfd393839e9ef444657"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">clone</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5cloneEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return a copy of this grid. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid11ManagedGrid5cloneEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5cloneEv"></span><span id="libmolgrid::ManagedGrid::cloneC"></span><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">clone</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5cloneEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid11ManagedGrid4saveEvR7ArchiveKj">
+<span id="_CPPv3I0ENK10libmolgrid11ManagedGrid4saveER7ArchiveKj"></span><span id="_CPPv2I0ENK10libmolgrid11ManagedGrid4saveER7ArchiveKj"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Archive</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">save</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid11ManagedGrid4saveEvR7ArchiveKj" title="libmolgrid::ManagedGrid::save::Archive"><span class="n"><span class="pre">Archive</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">version</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid11ManagedGrid4saveEvR7ArchiveKj" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid11ManagedGrid4loadEvR7ArchiveKj">
+<span id="_CPPv3I0EN10libmolgrid11ManagedGrid4loadER7ArchiveKj"></span><span id="_CPPv2I0EN10libmolgrid11ManagedGrid4loadER7ArchiveKj"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Archive</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">load</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid11ManagedGrid4loadEvR7ArchiveKj" title="libmolgrid::ManagedGrid::load::Archive"><span class="n"><span class="pre">Archive</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ar</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">version</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid11ManagedGrid4loadEvR7ArchiveKj" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid10dimensionsEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid10dimensionsEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid10dimensionsEv"></span><span id="libmolgrid::ManagedGrid::dimensionsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid10dimensionsEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid9dimensionE6size_t">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid9dimensionE6size_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid9dimensionE6size_t"></span><span id="libmolgrid::ManagedGrid::dimension__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimension</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid9dimensionE6size_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid7offsetsEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid7offsetsEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid7offsetsEv"></span><span id="libmolgrid::ManagedGrid::offsetsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid7offsetsEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid6offsetE6size_t">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid6offsetE6size_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid6offsetE6size_t"></span><span id="libmolgrid::ManagedGrid::offset__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offset</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid6offsetE6size_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid4sizeEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid4sizeEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid4sizeEv"></span><span id="libmolgrid::ManagedGrid::sizeC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid4sizeEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid9fill_zeroEv">
+<span id="_CPPv3N10libmolgrid11ManagedGrid9fill_zeroEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid9fill_zeroEv"></span><span id="libmolgrid::ManagedGrid::fill_zero"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fill_zero</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid9fill_zeroEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4IDpEN10libmolgrid11ManagedGridclER5DtypeDp1I">
+<span id="_CPPv3IDpEN10libmolgrid11ManagedGridclEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid11ManagedGridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid11ManagedGridclER5DtypeDp1I" title="libmolgrid::ManagedGrid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid11ManagedGridclER5DtypeDp1I" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4IDpENK10libmolgrid11ManagedGridclE5DtypeDp1I">
+<span id="_CPPv3IDpENK10libmolgrid11ManagedGridclEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid11ManagedGridclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid11ManagedGridclE5DtypeDp1I" title="libmolgrid::ManagedGrid::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid11ManagedGridclE5DtypeDp1I" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid6copyToER10cpu_grid_t">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid6copyToER10cpu_grid_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid6copyToER10cpu_grid_t"></span><span id="libmolgrid::ManagedGrid::copyTo__cpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid6copyToER10cpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid6copyToER10gpu_grid_t">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid6copyToER10gpu_grid_t"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid6copyToER10gpu_grid_t"></span><span id="libmolgrid::ManagedGrid::copyTo__gpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid6copyToER10gpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid6copyToER15ManagedGridBaseI5Dtype7NumDimsE">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGrid::copyTo__ManagedGridBase:Dtype.NumDims:RC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid6copyToER15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10cpu_grid_t">
+<span id="_CPPv3N10libmolgrid11ManagedGrid8copyFromERK10cpu_grid_t"></span><span id="_CPPv2N10libmolgrid11ManagedGrid8copyFromERK10cpu_grid_t"></span><span id="libmolgrid::ManagedGrid::copyFrom__cpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10cpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10gpu_grid_t">
+<span id="_CPPv3N10libmolgrid11ManagedGrid8copyFromERK10gpu_grid_t"></span><span id="_CPPv2N10libmolgrid11ManagedGrid8copyFromERK10gpu_grid_t"></span><span id="libmolgrid::ManagedGrid::copyFrom__gpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK10gpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGrid::copyFrom__ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGrid::copyInto__s.ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyInto</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4IDp0EN10libmolgrid11ManagedGrid7resizedE11ManagedGridI5Dtype7NumDimsEDp1I">
+<span id="_CPPv3IDp0EN10libmolgrid11ManagedGrid7resizedEDp1I"></span><span id="_CPPv2IDp0EN10libmolgrid11ManagedGrid7resizedEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">enable_if</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">sizeof</span></span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">(</span></span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGrid::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">)</span></span><span class="w"> </span><span class="o"><span class="pre">==</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resized</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGrid::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDp0EN10libmolgrid11ManagedGrid7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid3gpuEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid3gpuEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid3gpuEv"></span><span id="libmolgrid::ManagedGrid::gpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid3gpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid3gpuEv">
+<span id="_CPPv3N10libmolgrid11ManagedGrid3gpuEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid3gpuEv"></span><span id="libmolgrid::ManagedGrid::gpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid3gpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid3cpuEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid3cpuEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid3cpuEv"></span><span id="libmolgrid::ManagedGrid::cpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid3cpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid3cpuEv">
+<span id="_CPPv3N10libmolgrid11ManagedGrid3cpuEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid3cpuEv"></span><span id="libmolgrid::ManagedGrid::cpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid3cpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid5togpuEb">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid5togpuEb"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5togpuEb"></span><span id="libmolgrid::ManagedGrid::togpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5togpuEb" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid5tocpuEb">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid5tocpuEb"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5tocpuEb"></span><span id="libmolgrid::ManagedGrid::tocpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5tocpuEb" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid5ongpuEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid5ongpuEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5ongpuEv"></span><span id="libmolgrid::ManagedGrid::ongpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ongpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5ongpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid5oncpuEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid5oncpuEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid5oncpuEv"></span><span id="libmolgrid::ManagedGrid::oncpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">oncpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid5oncpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGridcv10cpu_grid_tEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGridcv10cpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGridcv10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGrid::castto-cpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGridcv10cpu_grid_tEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGridcvR10cpu_grid_tEv">
+<span id="_CPPv3N10libmolgrid11ManagedGridcvR10cpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid11ManagedGridcvR10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGrid::castto-cpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10cpu_grid_tE" title="libmolgrid::ManagedGrid::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGridcvR10cpu_grid_tEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGridcv10gpu_grid_tEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGridcv10gpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGridcv10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGrid::castto-gpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGridcv10gpu_grid_tEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGridcvR10gpu_grid_tEv">
+<span id="_CPPv3N10libmolgrid11ManagedGridcvR10gpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid11ManagedGridcvR10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGrid::castto-gpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid11ManagedGrid10gpu_grid_tE" title="libmolgrid::ManagedGrid::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGridcvR10gpu_grid_tEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrid4dataEv">
+<span id="_CPPv3NK10libmolgrid11ManagedGrid4dataEv"></span><span id="_CPPv2NK10libmolgrid11ManagedGrid4dataEv"></span><span id="libmolgrid::ManagedGrid::dataC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrid4dataEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid4dataEv">
+<span id="_CPPv3N10libmolgrid11ManagedGrid4dataEv"></span><span id="_CPPv2N10libmolgrid11ManagedGrid4dataEv"></span><span id="libmolgrid::ManagedGrid::data"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid4dataEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+<dl class="cpp function">
+<dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid11ManagedGrideqERK15ManagedGridBaseI5Dtype7NumDimsE">
+<span id="_CPPv3NK10libmolgrid11ManagedGrideqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid11ManagedGrideqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGrid::eq-operator__ManagedGridBase:Dtype.NumDims:CRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid11ManagedGrideqERK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
+
+</div>
+<div class="breathe-sectiondef docutils container">
+<p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-attributes">Public Static Attributes</p>
+<dl class="cpp var">
+<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11ManagedGrid1NE">
+<span id="_CPPv3N10libmolgrid11ManagedGrid1NE"></span><span id="_CPPv2N10libmolgrid11ManagedGrid1NE"></span><span id="libmolgrid::ManagedGrid::N__s"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid11ManagedGrid1NE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 </div>
 </dd></dl>
 
 </section>
 <section id="the-managedgridbase-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGridBase</span></code> class<a class="headerlink" href="#the-managedgridbase-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGridBase</span></code> class<a class="headerlink" href="#the-managedgridbase-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE">
-<span id="_CPPv3I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE"></span><span id="_CPPv2I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGridBase</span></span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE"></span><span id="_CPPv2I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NumDims</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ManagedGridBase</span></span></span><a class="headerlink" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid</span></a> base class. </p>
+<p>Subclassed by <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid&lt; Dtype, NumDims - 1 &gt;</span></a>, ManagedGrid&lt; Dtype, 1 &gt;, <a class="reference internal" href="#classlibmolgrid_1_1ManagedGrid"><span class="std std-ref">ManagedGrid&lt; Dtype, NumDims &gt;</span></a></p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase10gpu_grid_tE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase10gpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase10gpu_grid_tE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase10gpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">gpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase10cpu_grid_tE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase10cpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>cuda grid type </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase10cpu_grid_tE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase10cpu_grid_tE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">cpu_grid_t</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase4typeE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase4typeE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase4typeE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase4typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase4typeE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase4typeE"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b"></span><span class="k"><span class="pre">using</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase4typeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3498,179 +3690,157 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase10dimensionsEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase10dimensionsEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase10dimensionsEv"></span><span id="libmolgrid::ManagedGridBase::dimensionsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase10dimensionsEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>dimensions along each axis </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase10dimensionsEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase10dimensionsEv"></span><span id="libmolgrid::ManagedGridBase::dimensionsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">dimensions</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase10dimensionsEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase9dimensionE6size_t">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase9dimensionE6size_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase9dimensionE6size_t"></span><span id="libmolgrid::ManagedGridBase::dimension__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimension</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase9dimensionE6size_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>dimensions along specified axis </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase9dimensionE6size_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase9dimensionE6size_t"></span><span id="libmolgrid::ManagedGridBase::dimension__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">dimension</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase9dimensionE6size_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase7offsetsEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase7offsetsEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase7offsetsEv"></span><span id="libmolgrid::ManagedGridBase::offsetsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase7offsetsEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>offset for each dimension, all indexing calculations use this </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase7offsetsEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase7offsetsEv"></span><span id="libmolgrid::ManagedGridBase::offsetsC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">offsets</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase7offsetsEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase6offsetE6size_t">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase6offsetE6size_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6offsetE6size_t"></span><span id="libmolgrid::ManagedGridBase::offset__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offset</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6offsetE6size_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>offset for each dimension, all indexing calculations use this </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase6offsetE6size_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6offsetE6size_t"></span><span id="libmolgrid::ManagedGridBase::offset__sC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">offset</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">i</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6offsetE6size_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase4sizeEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase4sizeEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase4sizeEv"></span><span id="libmolgrid::ManagedGridBase::sizeC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase4sizeEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>number of elements in grid </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase4sizeEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase4sizeEv"></span><span id="libmolgrid::ManagedGridBase::sizeC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase4sizeEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase9fill_zeroEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase9fill_zeroEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase9fill_zeroEv"></span><span id="libmolgrid::ManagedGridBase::fill_zero"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fill_zero</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase9fill_zeroEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>set contents to zero </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase9fill_zeroEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase9fill_zeroEv"></span><span id="libmolgrid::ManagedGridBase::fill_zero"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fill_zero</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase9fill_zeroEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpEN10libmolgrid15ManagedGridBaseclER5DtypeDp1I">
-<span id="_CPPv3IDpEN10libmolgrid15ManagedGridBaseclEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid15ManagedGridBaseclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid15ManagedGridBaseclER5DtypeDp1I" title="libmolgrid::ManagedGridBase::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid15ManagedGridBaseclER5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Initializer list indexing. </p>
-</dd></dl>
+<span id="_CPPv3IDpEN10libmolgrid15ManagedGridBaseclEDp1I"></span><span id="_CPPv2IDpEN10libmolgrid15ManagedGridBaseclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpEN10libmolgrid15ManagedGridBaseclER5DtypeDp1I" title="libmolgrid::ManagedGridBase::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDpEN10libmolgrid15ManagedGridBaseclER5DtypeDp1I" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDpENK10libmolgrid15ManagedGridBaseclE5DtypeDp1I">
-<span id="_CPPv3IDpENK10libmolgrid15ManagedGridBaseclEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid15ManagedGridBaseclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid15ManagedGridBaseclE5DtypeDp1I" title="libmolgrid::ManagedGridBase::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid15ManagedGridBaseclE5DtypeDp1I" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3IDpENK10libmolgrid15ManagedGridBaseclEDp1I"></span><span id="_CPPv2IDpENK10libmolgrid15ManagedGridBaseclEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">()</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDpENK10libmolgrid15ManagedGridBaseclE5DtypeDp1I" title="libmolgrid::ManagedGridBase::operator()::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">indices</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4IDpENK10libmolgrid15ManagedGridBaseclE5DtypeDp1I" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyTo__cpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data into dest. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyTo__cpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10cpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyTo__gpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data into dest. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyTo__gpu_grid_tRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER10gpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyTo__ManagedGridBase:Dtype.NumDims:RC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data into dest. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyTo__ManagedGridBase:Dtype.NumDims:RC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyTo</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">dest</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase6copyToER15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyFrom__cpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data from src. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyFrom__cpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10cpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyFrom__gpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data from src. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t"></span><span id="libmolgrid::ManagedGridBase::copyFrom__gpu_grid_tCR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK10gpu_grid_t" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyFrom__ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data from src. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyFrom__ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyFrom</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyFromERK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyInto__s.ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyInto</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Copy data from src into this starting at start. Should be same size, but will narrow if needed. </p>
-</dd></dl>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::copyInto__s.ManagedGridBase:Dtype.NumDims:CR"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">copyInto</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">start</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">src</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase8copyIntoE6size_tRK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I">
-<span id="_CPPv3IDp0EN10libmolgrid15ManagedGridBase7resizedEDp1I"></span><span id="_CPPv2IDp0EN10libmolgrid15ManagedGridBase7resizedEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">enable_if</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">sizeof</span></span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">(</span></span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGridBase::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">)</span></span><span class="w"> </span><span class="o"><span class="pre">==</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resized</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGridBase::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return a grid in the specified shape that attempts to reuse the memory of this grid. Memory will be allocated if needed. Data will be truncated/copied as needed. DANGER! The returned grid may or may not mirror this grid depending on the shape. This function is provided so code can be optimized to avoid unnecessary allocations and should be used carefully. </p>
-</dd></dl>
+<span id="_CPPv3IDp0EN10libmolgrid15ManagedGridBase7resizedEDp1I"></span><span id="_CPPv2IDp0EN10libmolgrid15ManagedGridBase7resizedEDp1I"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="sig-name descname"><span class="n"><span class="pre">I</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">enable_if</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">sizeof</span></span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">(</span></span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGridBase::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">)</span></span><span class="w"> </span><span class="o"><span class="pre">==</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">type</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid11ManagedGridE" title="libmolgrid::ManagedGrid"><span class="n"><span class="pre">ManagedGrid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">resized</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="libmolgrid::ManagedGridBase::resized::I"><span class="n"><span class="pre">I</span></span></a><span class="p"><span class="pre">...</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">sizes</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4IDp0EN10libmolgrid15ManagedGridBase7resizedE11ManagedGridI5Dtype7NumDimsEDp1I" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase3gpuEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase3gpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase3gpuEv"></span><span id="libmolgrid::ManagedGridBase::gpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase3gpuEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return GPU <a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> view. Host code should not access the grid until the GPU code is complete. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase3gpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase3gpuEv"></span><span id="libmolgrid::ManagedGridBase::gpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase3gpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase3gpuEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase3gpuEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase3gpuEv"></span><span id="libmolgrid::ManagedGridBase::gpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aa5c4b729fa4facfb55cb19b51f5797cb"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase3gpuEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase3gpuEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase3gpuEv"></span><span id="libmolgrid::ManagedGridBase::gpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase3gpuEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase3cpuEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase3cpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase3cpuEv"></span><span id="libmolgrid::ManagedGridBase::cpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase3cpuEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return CPU <a class="reference internal" href="#classlibmolgrid_1_1Grid"><span class="std std-ref">Grid</span></a> view. GPU code should no longer access this memory. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase3cpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase3cpuEv"></span><span id="libmolgrid::ManagedGridBase::cpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase3cpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase3cpuEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase3cpuEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase3cpuEv"></span><span id="libmolgrid::ManagedGridBase::cpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase3cpuEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase3cpuEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase3cpuEv"></span><span id="libmolgrid::ManagedGridBase::cpu"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">cpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase3cpuEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase5togpuEb">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase5togpuEb"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5togpuEb"></span><span id="libmolgrid::ManagedGridBase::togpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5togpuEb" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Transfer data to GPU. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase5togpuEb"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5togpuEb"></span><span id="libmolgrid::ManagedGridBase::togpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">togpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5togpuEb" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase5tocpuEb">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase5tocpuEb"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5tocpuEb"></span><span id="libmolgrid::ManagedGridBase::tocpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5tocpuEb" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Transfer data to CPU. If not dotransfer, data is not copied back. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase5tocpuEb"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5tocpuEb"></span><span id="libmolgrid::ManagedGridBase::tocpu__bC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">tocpu</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotransfer</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5tocpuEb" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase5ongpuEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase5ongpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5ongpuEv"></span><span id="libmolgrid::ManagedGridBase::ongpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ongpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5ongpuEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return true if memory is currently on GPU. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase5ongpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5ongpuEv"></span><span id="libmolgrid::ManagedGridBase::ongpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ongpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5ongpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase5oncpuEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase5oncpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5oncpuEv"></span><span id="libmolgrid::ManagedGridBase::oncpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">oncpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5oncpuEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return true if memory is currently on CPU. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase5oncpuEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase5oncpuEv"></span><span id="libmolgrid::ManagedGridBase::oncpuC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">oncpu</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase5oncpuEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-cpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-cpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBasecv10cpu_grid_tEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-cpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-cpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10cpu_grid_tE" title="libmolgrid::ManagedGridBase::cpu_grid_t"><span class="n"><span class="pre">cpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBasecvR10cpu_grid_tEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-gpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-gpu_grid_t-operatorC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBasecv10gpu_grid_tEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-gpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv"></span><span id="libmolgrid::ManagedGridBase::castto-gpu_grid_tR-operator"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15ManagedGridBase10gpu_grid_tE" title="libmolgrid::ManagedGridBase::gpu_grid_t"><span class="n"><span class="pre">gpu_grid_t</span></span></a><span class="p"><span class="pre">&amp;</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBasecvR10gpu_grid_tEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBase4dataEv">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBase4dataEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase4dataEv"></span><span id="libmolgrid::ManagedGridBase::dataC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase4dataEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Return pointer to CPU data. </p>
-</dd></dl>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBase4dataEv"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBase4dataEv"></span><span id="libmolgrid::ManagedGridBase::dataC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBase4dataEv" title="Link to this definition"></a><br /></dt>
+<dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase4dataEv">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase4dataEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase4dataEv"></span><span id="libmolgrid::ManagedGridBase::data"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1aecdaa9892795d526d6d468e21ef3a2b2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase4dataEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase4dataEv"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase4dataEv"></span><span id="libmolgrid::ManagedGridBase::data"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">data</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase4dataEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE">
-<span id="_CPPv3NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::eq-operator__ManagedGridBase:Dtype.NumDims:CRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="_CPPv2NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE"></span><span id="libmolgrid::ManagedGridBase::eq-operator__ManagedGridBase:Dtype.NumDims:CRC"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase"><span class="n"><span class="pre">ManagedGridBase</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">rhs</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid15ManagedGridBaseeqERK15ManagedGridBaseI5Dtype7NumDimsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3678,7 +3848,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-attributes">Public Static Attributes</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid15ManagedGridBase1NE">
-<span id="_CPPv3N10libmolgrid15ManagedGridBase1NE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase1NE"></span><span id="libmolgrid::ManagedGridBase::N__s"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="k"><span class="pre">constexpr</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase1NE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid15ManagedGridBase1NE"></span><span id="_CPPv2N10libmolgrid15ManagedGridBase1NE"></span><span id="libmolgrid::ManagedGridBase::N__s"></span><span class="target" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">N</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tEEN10libmolgrid15ManagedGridBaseE" title="libmolgrid::ManagedGridBase::NumDims"><span class="n"><span class="pre">NumDims</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid15ManagedGridBase1NE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3686,61 +3856,61 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ManagedGrid
 
 </section>
 <section id="the-mappedatomindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">MappedAtomIndexTyper</span></code> class<a class="headerlink" href="#the-mappedatomindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">MappedAtomIndexTyper</span></code> class<a class="headerlink" href="#the-mappedatomindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE">
-<span id="_CPPv3I00EN10libmolgrid20MappedAtomIndexTyperE"></span><span id="_CPPv2I00EN10libmolgrid20MappedAtomIndexTyperE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Mapper</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Typer</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I00EN10libmolgrid20MappedAtomIndexTyperE"></span><span id="_CPPv2I00EN10libmolgrid20MappedAtomIndexTyperE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Mapper</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Typer</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Wrap an atom typer with a mapper. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer">
-<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer"></span><span id="libmolgrid::MappedAtomIndexTyper::MappedAtomIndexTyper__MapperCR.TyperCR"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper::Mapper"><span class="n"><span class="pre">Mapper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper::Typer"><span class="n"><span class="pre">Typer</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typr</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer"></span><span id="libmolgrid::MappedAtomIndexTyper::MappedAtomIndexTyper__MapperCR.TyperCR"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper::Mapper"><span class="n"><span class="pre">Mapper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper::Typer"><span class="n"><span class="pre">Typer</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typr</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyper20MappedAtomIndexTyperERK6MapperRK5Typer" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20MappedAtomIndexTyperD0Ev">
-<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyperD0Ev"></span><span id="libmolgrid::MappedAtomIndexTyper::~MappedAtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a65b67c975d90af1716ddb333a8fb46e4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~MappedAtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyperD0Ev"></span><span id="libmolgrid::MappedAtomIndexTyper::~MappedAtomIndexTyper"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a65b67c975d90af1716ddb333a8fb46e4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~MappedAtomIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper9num_typesEv"></span><span id="libmolgrid::MappedAtomIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper9num_typesEv"></span><span id="libmolgrid::MappedAtomIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::MappedAtomIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::MappedAtomIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi"></span><span id="libmolgrid::MappedAtomIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi"></span><span id="libmolgrid::MappedAtomIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv"></span><span id="libmolgrid::MappedAtomIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv"></span><span id="libmolgrid::MappedAtomIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::MappedAtomIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::MappedAtomIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>radii are the average of the underlying mapped types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::MappedAtomIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::MappedAtomIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::MappedAtomIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::MappedAtomIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid20MappedAtomIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3748,7 +3918,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">MappedAtomI
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::MappedAtomIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::MappedAtomIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid20MappedAtomIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3756,20 +3926,15 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">MappedAtomI
 
 </section>
 <section id="the-mgrid-buffer-data-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">mgrid_buffer_data</span></code> class<a class="headerlink" href="#the-mgrid-buffer-data-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">mgrid_buffer_data</span></code> class<a class="headerlink" href="#the-mgrid-buffer-data-class" title="Link to this heading"></a></h2>
 <dl class="cpp struct">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid17mgrid_buffer_dataE">
-<span id="_CPPv3I0EN10libmolgrid17mgrid_buffer_dataE"></span><span id="_CPPv2I0EN10libmolgrid17mgrid_buffer_dataE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1mgrid__buffer__data"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">mgrid_buffer_data</span></span></span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid17mgrid_buffer_dataE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid17mgrid_buffer_dataE"></span><span id="_CPPv2I0EN10libmolgrid17mgrid_buffer_dataE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="structlibmolgrid_1_1mgrid__buffer__data"></span><span class="k"><span class="pre">struct</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">mgrid_buffer_data</span></span></span><a class="headerlink" href="#_CPPv4I0EN10libmolgrid17mgrid_buffer_dataE" title="Link to this definition"></a><br /></dt>
 <dd><div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-members">Public Members</p>
-<dl class="cpp var">
-<dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17mgrid_buffer_data7gpu_ptrE">
-<span id="_CPPv3N10libmolgrid17mgrid_buffer_data7gpu_ptrE"></span><span id="_CPPv2N10libmolgrid17mgrid_buffer_data7gpu_ptrE"></span><span id="libmolgrid::mgrid_buffer_data::gpu_ptr__DtypeP"></span><span class="target" id="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8"></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid17mgrid_buffer_dataE" title="libmolgrid::mgrid_buffer_data::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">gpu_ptr</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17mgrid_buffer_data7gpu_ptrE" title="Permalink to this definition"></a><br /></dt>
-<dd></dd></dl>
-
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid17mgrid_buffer_data11sent_to_gpuE">
-<span id="_CPPv3N10libmolgrid17mgrid_buffer_data11sent_to_gpuE"></span><span id="_CPPv2N10libmolgrid17mgrid_buffer_data11sent_to_gpuE"></span><span id="libmolgrid::mgrid_buffer_data::sent_to_gpu__b"></span><span class="target" id="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sent_to_gpu</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17mgrid_buffer_data11sent_to_gpuE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid17mgrid_buffer_data11sent_to_gpuE"></span><span id="_CPPv2N10libmolgrid17mgrid_buffer_data11sent_to_gpuE"></span><span id="libmolgrid::mgrid_buffer_data::sent_to_gpu__b"></span><span class="target" id="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sent_to_gpu</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid17mgrid_buffer_data11sent_to_gpuE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3777,61 +3942,61 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">mgrid_buffe
 
 </section>
 <section id="the-nullindextyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class<a class="headerlink" href="#the-nullindextyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class<a class="headerlink" href="#the-nullindextyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14NullIndexTyperE">
-<span id="_CPPv3N10libmolgrid14NullIndexTyperE"></span><span id="_CPPv2N10libmolgrid14NullIndexTyperE"></span><span id="libmolgrid::NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">NullIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14NullIndexTyperE"></span><span id="_CPPv2N10libmolgrid14NullIndexTyperE"></span><span id="libmolgrid::NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NullIndexTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid14AtomIndexTyperE" title="libmolgrid::AtomIndexTyper"><span class="n"><span class="pre">AtomIndexTyper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Always return an invalid type. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14NullIndexTyper14NullIndexTyperEv">
-<span id="_CPPv3N10libmolgrid14NullIndexTyper14NullIndexTyperEv"></span><span id="_CPPv2N10libmolgrid14NullIndexTyper14NullIndexTyperEv"></span><span id="libmolgrid::NullIndexTyper::NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NullIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyper14NullIndexTyperEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14NullIndexTyper14NullIndexTyperEv"></span><span id="_CPPv2N10libmolgrid14NullIndexTyper14NullIndexTyperEv"></span><span id="libmolgrid::NullIndexTyper::NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">NullIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyper14NullIndexTyperEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14NullIndexTyperD0Ev">
-<span id="_CPPv3N10libmolgrid14NullIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid14NullIndexTyperD0Ev"></span><span id="libmolgrid::NullIndexTyper::~NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a02967c797c0102406a258d81dd85919c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~NullIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyperD0Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14NullIndexTyperD0Ev"></span><span id="_CPPv2N10libmolgrid14NullIndexTyperD0Ev"></span><span id="libmolgrid::NullIndexTyper::~NullIndexTyper"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a02967c797c0102406a258d81dd85919c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">~NullIndexTyper</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyperD0Ev" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper9num_typesEv"></span><span id="libmolgrid::NullIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper9num_typesEv"></span><span id="libmolgrid::NullIndexTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::NullIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::NullIndexTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper12get_int_typeEi"></span><span id="libmolgrid::NullIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper12get_int_typeEi"></span><span id="libmolgrid::NullIndexTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>look up covalent radius of element or provide default </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper14get_type_namesEv"></span><span id="libmolgrid::NullIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper14get_type_namesEv"></span><span id="libmolgrid::NullIndexTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::NullIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper14get_type_radiiEv"></span><span id="libmolgrid::NullIndexTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return atomic radius of each type, generic type is given zero radius </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::NullIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::NullIndexTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid14NullIndexTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid14NullIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::NullIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid14NullIndexTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid14NullIndexTyper15is_vector_typerEv"></span><span id="libmolgrid::NullIndexTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid14NullIndexTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3839,7 +4004,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">NullIndexTy
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::NullIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::NullIndexTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid14NullIndexTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3847,16 +4012,16 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">NullIndexTy
 
 </section>
 <section id="the-quaternion-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class<a class="headerlink" href="#the-quaternion-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class<a class="headerlink" href="#the-quaternion-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaternionE">
-<span id="_CPPv3N10libmolgrid10QuaternionE"></span><span id="_CPPv2N10libmolgrid10QuaternionE"></span><span id="libmolgrid::Quaternion"></span><span class="target" id="classlibmolgrid_1_1Quaternion"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionE" title="Permalink to this definition"></a><br /></dt>
-<dd><p>A CUDA friendly quaternion class. Single precision only for maximum CUDA performance. </p>
+<span id="_CPPv3N10libmolgrid10QuaternionE"></span><span id="_CPPv2N10libmolgrid10QuaternionE"></span><span id="libmolgrid::Quaternion"></span><span class="target" id="classlibmolgrid_1_1Quaternion"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionE" title="Link to this definition"></a><br /></dt>
+<dd><p><a class="reference internal" href="#classlibmolgrid_1_1Quaternion"><span class="std std-ref">Quaternion</span></a> class for rotations. Single precision only. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-types">Public Types</p>
 <dl class="cpp type">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10Quaternion2flE">
-<span id="_CPPv3N10libmolgrid10Quaternion2flE"></span><span id="_CPPv2N10libmolgrid10Quaternion2flE"></span><span id="libmolgrid::Quaternion::fl"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661"></span><span class="k"><span class="pre">typedef</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fl</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10Quaternion2flE"></span><span id="_CPPv2N10libmolgrid10Quaternion2flE"></span><span id="libmolgrid::Quaternion::fl"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661"></span><span class="k"><span class="pre">typedef</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">fl</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -3864,119 +4029,119 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10Quaternion10QuaternionEv">
-<span id="_CPPv3N10libmolgrid10Quaternion10QuaternionEv"></span><span id="_CPPv2N10libmolgrid10Quaternion10QuaternionEv"></span><span id="libmolgrid::Quaternion::Quaternion"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion10QuaternionEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10Quaternion10QuaternionEv"></span><span id="_CPPv2N10libmolgrid10Quaternion10QuaternionEv"></span><span id="libmolgrid::Quaternion::Quaternion"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion10QuaternionEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl">
-<span id="_CPPv3N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl"></span><span id="_CPPv2N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl"></span><span id="libmolgrid::Quaternion::Quaternion__fl.fl.fl.fl"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a7bbd7af7c5c4cb2b4e32687121f66dbb"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">A</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">B</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">C</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">D</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl"></span><span id="_CPPv2N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl"></span><span id="libmolgrid::Quaternion::Quaternion__fl.fl.fl.fl"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Quaternion</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">A</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">B</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">C</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">D</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10Quaternion10QuaternionE2fl2fl2fl2fl" title="Link to this definition"></a><br /></dt>
 <dd><p>Construct quaternion with real then unreal components. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion13R_component_1Ev">
-<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_1Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_1Ev"></span><span id="libmolgrid::Quaternion::R_component_1C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_1</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_1Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_1Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_1Ev"></span><span id="libmolgrid::Quaternion::R_component_1C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_1</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_1Ev" title="Link to this definition"></a><br /></dt>
 <dd><p>Return the real or scalar part. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion13R_component_2Ev">
-<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_2Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_2Ev"></span><span id="libmolgrid::Quaternion::R_component_2C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_2</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_2Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_2Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_2Ev"></span><span id="libmolgrid::Quaternion::R_component_2C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_2</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_2Ev" title="Link to this definition"></a><br /></dt>
 <dd><p>Return unreal[0]. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion13R_component_3Ev">
-<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_3Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_3Ev"></span><span id="libmolgrid::Quaternion::R_component_3C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_3</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_3Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_3Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_3Ev"></span><span id="libmolgrid::Quaternion::R_component_3C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_3</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_3Ev" title="Link to this definition"></a><br /></dt>
 <dd><p>Return unreal[1]. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion13R_component_4Ev">
-<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_4Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_4Ev"></span><span id="libmolgrid::Quaternion::R_component_4C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_4</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_4Ev" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion13R_component_4Ev"></span><span id="_CPPv2NK10libmolgrid10Quaternion13R_component_4Ev"></span><span id="libmolgrid::Quaternion::R_component_4C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R_component_4</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion13R_component_4Ev" title="Link to this definition"></a><br /></dt>
 <dd><p>Return unreal[2]. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaternionmLERK2fl">
-<span id="_CPPv3N10libmolgrid10QuaternionmLERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaternionmLERK2fl"></span><span id="libmolgrid::Quaternion::mul-assign-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionmLERK2fl" title="Permalink to this definition"></a><br /></dt>
-<dd><p>In-place multiplication by scalar (element-wise) </p>
+<span id="_CPPv3N10libmolgrid10QuaternionmLERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaternionmLERK2fl"></span><span id="libmolgrid::Quaternion::mul-assign-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionmLERK2fl" title="Link to this definition"></a><br /></dt>
+<dd><p>In-place multiplication by scalar (element-wise). </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaterniondVERK2fl">
-<span id="_CPPv3N10libmolgrid10QuaterniondVERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaterniondVERK2fl"></span><span id="libmolgrid::Quaternion::div-assign-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondVERK2fl" title="Permalink to this definition"></a><br /></dt>
-<dd><p>In-place division by scalar (element-wise) </p>
+<span id="_CPPv3N10libmolgrid10QuaterniondVERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaterniondVERK2fl"></span><span id="libmolgrid::Quaternion::div-assign-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondVERK2fl" title="Link to this definition"></a><br /></dt>
+<dd><p>In-place division by scalar (element-wise). </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaterniondvERK2fl">
-<span id="_CPPv3N10libmolgrid10QuaterniondvERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaterniondvERK2fl"></span><span id="libmolgrid::Quaternion::div-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondvERK2fl" title="Permalink to this definition"></a><br /></dt>
-<dd><p>Division by scalar (element-wise) </p>
+<span id="_CPPv3N10libmolgrid10QuaterniondvERK2fl"></span><span id="_CPPv2N10libmolgrid10QuaterniondvERK2fl"></span><span id="libmolgrid::Quaternion::div-operator__flCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondvERK2fl" title="Link to this definition"></a><br /></dt>
+<dd><p>Division by scalar (element-wise). </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10QuaternionmlERK10Quaternion">
-<span id="_CPPv3NK10libmolgrid10QuaternionmlERK10Quaternion"></span><span id="_CPPv2NK10libmolgrid10QuaternionmlERK10Quaternion"></span><span id="libmolgrid::Quaternion::mul-operator__QuaternionCRC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10QuaternionmlERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10QuaternionmlERK10Quaternion"></span><span id="_CPPv2NK10libmolgrid10QuaternionmlERK10Quaternion"></span><span id="libmolgrid::Quaternion::mul-operator__QuaternionCRC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10QuaternionmlERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Quaternion"><span class="std std-ref">Quaternion</span></a> multiplication. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaternionmLERK10Quaternion">
-<span id="_CPPv3N10libmolgrid10QuaternionmLERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaternionmLERK10Quaternion"></span><span id="libmolgrid::Quaternion::mul-assign-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1aac6f15d6f3fc4a9f1fd23e05ebb67306"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionmLERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10QuaternionmLERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaternionmLERK10Quaternion"></span><span id="libmolgrid::Quaternion::mul-assign-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">*=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaternionmLERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Quaternion"><span class="std std-ref">Quaternion</span></a> in-place multiplication. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10QuaternioneqERK10Quaternion">
-<span id="_CPPv3NK10libmolgrid10QuaternioneqERK10Quaternion"></span><span id="_CPPv2NK10libmolgrid10QuaternioneqERK10Quaternion"></span><span id="libmolgrid::Quaternion::eq-operator__QuaternionCRC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10QuaternioneqERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10QuaternioneqERK10Quaternion"></span><span id="_CPPv2NK10libmolgrid10QuaternioneqERK10Quaternion"></span><span id="libmolgrid::Quaternion::eq-operator__QuaternionCRC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">==</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10QuaternioneqERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd><p>check bit level equality </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaterniondvERK10Quaternion">
-<span id="_CPPv3N10libmolgrid10QuaterniondvERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaterniondvERK10Quaternion"></span><span id="libmolgrid::Quaternion::div-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondvERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10QuaterniondvERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaterniondvERK10Quaternion"></span><span id="libmolgrid::Quaternion::div-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondvERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Quaternion"><span class="std std-ref">Quaternion</span></a> divison. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid10QuaterniondVERK10Quaternion">
-<span id="_CPPv3N10libmolgrid10QuaterniondVERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaterniondVERK10Quaternion"></span><span id="libmolgrid::Quaternion::div-assign-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a4142e5f08ee438946d003c2eb5cf959f"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondVERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid10QuaterniondVERK10Quaternion"></span><span id="_CPPv2N10libmolgrid10QuaterniondVERK10Quaternion"></span><span id="libmolgrid::Quaternion::div-assign-operator__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">/=</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">r</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid10QuaterniondVERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd><p><a class="reference internal" href="#classlibmolgrid_1_1Quaternion"><span class="std std-ref">Quaternion</span></a> in-place divison. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion4conjEv">
-<span id="_CPPv3NK10libmolgrid10Quaternion4conjEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4conjEv"></span><span id="libmolgrid::Quaternion::conjC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">conj</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4conjEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion4conjEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4conjEv"></span><span id="libmolgrid::Quaternion::conjC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">conj</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4conjEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Conjugate. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion4realEv">
-<span id="_CPPv3NK10libmolgrid10Quaternion4realEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4realEv"></span><span id="libmolgrid::Quaternion::realC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">real</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4realEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion4realEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4realEv"></span><span id="libmolgrid::Quaternion::realC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">real</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4realEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion4normEv">
-<span id="_CPPv3NK10libmolgrid10Quaternion4normEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4normEv"></span><span id="libmolgrid::Quaternion::normC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">norm</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4normEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion4normEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion4normEv"></span><span id="libmolgrid::Quaternion::normC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">norm</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion4normEv" title="Link to this definition"></a><br /></dt>
 <dd><p>The Cayley norm - the square of the Euclidean norm. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion6rotateE2fl2fl2fl">
-<span id="_CPPv3NK10libmolgrid10Quaternion6rotateE2fl2fl2fl"></span><span id="_CPPv2NK10libmolgrid10Quaternion6rotateE2fl2fl2fl"></span><span id="libmolgrid::Quaternion::rotate__fl.fl.flC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">rotate</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion6rotateE2fl2fl2fl" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion6rotateE2fl2fl2fl"></span><span id="_CPPv2NK10libmolgrid10Quaternion6rotateE2fl2fl2fl"></span><span id="libmolgrid::Quaternion::rotate__fl.fl.flC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">rotate</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion6rotateE2fl2fl2fl" title="Link to this definition"></a><br /></dt>
 <dd><p>Rotation point (x,y,z) using this quaternion. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3">
-<span id="_CPPv3NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3"></span><span id="_CPPv2NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3"></span><span id="libmolgrid::Quaternion::transform__fl.fl.fl.float3.float3C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">transform</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">center</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">translate</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3"></span><span id="_CPPv2NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3"></span><span id="libmolgrid::Quaternion::transform__fl.fl.fl.float3.float3C"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">transform</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">x</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">y</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid10Quaternion2flE" title="libmolgrid::Quaternion::fl"><span class="n"><span class="pre">fl</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">z</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">center</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">translate</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion9transformE2fl2fl2fl6float36float3" title="Link to this definition"></a><br /></dt>
 <dd><p>Rotate around the provided center and translate. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid10Quaternion7inverseEv">
-<span id="_CPPv3NK10libmolgrid10Quaternion7inverseEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion7inverseEv"></span><span id="libmolgrid::Quaternion::inverseC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f"></span><span class="pre">__host__</span><span class="w"> </span><span class="pre">__device__</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">inverse</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion7inverseEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid10Quaternion7inverseEv"></span><span id="_CPPv2NK10libmolgrid10Quaternion7inverseEv"></span><span id="libmolgrid::Quaternion::inverseC"></span><span class="target" id="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c"></span><span class="pre">CUDA_CALLABLE_MEMBER</span><span class="w"> </span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">inverse</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid10Quaternion7inverseEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return inverse. </p>
 </dd></dl>
 
@@ -3985,65 +4150,65 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 </section>
 <section id="the-receptorstratifiedexamplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ReceptorStratifiedExampleRefProvider</span></code> class<a class="headerlink" href="#the-receptorstratifiedexamplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ReceptorStratifiedExampleRefProvider</span></code> class<a class="headerlink" href="#the-receptorstratifiedexamplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE">
-<span id="_CPPv3I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE"></span><span id="_CPPv2I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">K</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE"></span><span id="_CPPv2I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">K</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>Partition examples by receptor and sample k times uniformly from each receptor with k=2 and a balanced_provider you get paired examples from each receptor. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ReceptorStratifiedExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider36ReceptorStratifiedExampleRefProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
@@ -4059,30 +4224,30 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ReceptorStr
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid36ReceptorStratifiedExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
@@ -4091,32 +4256,32 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ReceptorStr
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::examples__std::vector:Provider:"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a6679797ca81af02c9ba75e65ccf4c836"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE" title="libmolgrid::ReceptorStratifiedExampleRefProvider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::examples__std::vector:Provider:"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a6679797ca81af02c9ba75e65ccf4c836"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_iEN10libmolgrid36ReceptorStratifiedExampleRefProviderE" title="libmolgrid::ReceptorStratifiedExampleRefProvider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8examplesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::recmap__std::unordered_map:cCP.unsigned:"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1afbd70ae9414bc86f1272325910babdd4"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">recmap</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::recmap__std::unordered_map:cCP.unsigned:"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1afbd70ae9414bc86f1272325910babdd4"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">recmap</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider6recmapE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::param__ExampleProviderSettings"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a79e29649cc9fa563507e0c7e4aa776ee"></span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">param</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::param__ExampleProviderSettings"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a79e29649cc9fa563507e0c7e4aa776ee"></span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">param</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider5paramE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::currenti__s"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a465880796d95af0ed2be2a015b58202d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currenti</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::currenti__s"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a465880796d95af0ed2be2a015b58202d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currenti</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentiE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::currentk__s"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a07bb57f4a7e1314f840d93d2e93b8636"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currentk</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::currentk__s"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a07bb57f4a7e1314f840d93d2e93b8636"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currentk</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider8currentkE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE">
-<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::randomize__b"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">randomize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE"></span><span id="_CPPv2N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE"></span><span id="libmolgrid::ReceptorStratifiedExampleRefProvider::randomize__b"></span><span class="target" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">randomize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid36ReceptorStratifiedExampleRefProvider9randomizeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4124,94 +4289,94 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ReceptorStr
 
 </section>
 <section id="the-samplingexamplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">SamplingExampleRefProvider</span></code> class<a class="headerlink" href="#the-samplingexamplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">SamplingExampleRefProvider</span></code> class<a class="headerlink" href="#the-samplingexamplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE">
-<span id="_CPPv3I00EN10libmolgrid26SamplingExampleRefProviderE"></span><span id="_CPPv2I00EN10libmolgrid26SamplingExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider1</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider2</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I00EN10libmolgrid26SamplingExampleRefProviderE"></span><span id="_CPPv2I00EN10libmolgrid26SamplingExampleRefProviderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider1</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider2</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>sample with some specified probability between two providers that should already be initialized </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv"></span><span id="libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv"></span><span id="libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d"></span><span id="libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider__ExampleProviderSettingsCR.Provider1.Provider2.double"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider1"><span class="n"><span class="pre">Provider1</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">P1</span></span>, <a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider2"><span class="n"><span class="pre">Provider2</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">P2</span></span>, <span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">srate</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d"></span><span id="libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider__ExampleProviderSettingsCR.Provider1.Provider2.double"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SamplingExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span>, <a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider1"><span class="n"><span class="pre">Provider1</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">P1</span></span>, <a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider2"><span class="n"><span class="pre">Provider2</span></span></a><span class="w"> </span><span class="n sig-param"><span class="pre">P2</span></span>, <span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">srate</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider26SamplingExampleRefProviderERK23ExampleProviderSettings9Provider19Provider2d" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::SamplingExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::SamplingExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider5setupEv"></span><span id="libmolgrid::SamplingExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider5setupEv"></span><span id="libmolgrid::SamplingExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::SamplingExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::SamplingExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::SamplingExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::SamplingExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider4sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider4sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>this is the expected size of the epoch </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::SamplingExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider5resetEv"></span><span id="libmolgrid::SamplingExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider5resetEv"></span><span id="libmolgrid::SamplingExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider9has_groupEv"></span><span id="libmolgrid::SamplingExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider9has_groupEv"></span><span id="libmolgrid::SamplingExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::SamplingExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::SamplingExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::SamplingExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::SamplingExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::SamplingExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::SamplingExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::SamplingExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::SamplingExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid26SamplingExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
@@ -4220,22 +4385,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SamplingExa
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider2p1E">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider2p1E"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider2p1E"></span><span id="libmolgrid::SamplingExampleRefProvider::p1__Provider1"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a22e67ba1d3c40843e68d55e79f9d4e29"></span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider1"><span class="n"><span class="pre">Provider1</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">p1</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider2p1E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider2p1E"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider2p1E"></span><span id="libmolgrid::SamplingExampleRefProvider::p1__Provider1"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a22e67ba1d3c40843e68d55e79f9d4e29"></span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider1"><span class="n"><span class="pre">Provider1</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">p1</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider2p1E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider2p2E">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider2p2E"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider2p2E"></span><span id="libmolgrid::SamplingExampleRefProvider::p2__Provider2"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5d2b03520ca6e4ca89cb6913a445297c"></span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider2"><span class="n"><span class="pre">Provider2</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">p2</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider2p2E" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider2p2E"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider2p2E"></span><span id="libmolgrid::SamplingExampleRefProvider::p2__Provider2"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5d2b03520ca6e4ca89cb6913a445297c"></span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid26SamplingExampleRefProviderE" title="libmolgrid::SamplingExampleRefProvider::Provider2"><span class="n"><span class="pre">Provider2</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">p2</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider2p2E" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider11sample_rateE">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider11sample_rateE"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider11sample_rateE"></span><span id="libmolgrid::SamplingExampleRefProvider::sample_rate__double"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5cd2077a80052e0e93450f6259fa5f92"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sample_rate</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.5</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider11sample_rateE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider11sample_rateE"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider11sample_rateE"></span><span id="libmolgrid::SamplingExampleRefProvider::sample_rate__double"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5cd2077a80052e0e93450f6259fa5f92"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">sample_rate</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.5</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider11sample_rateE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid26SamplingExampleRefProvider1RE">
-<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider1RE"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider1RE"></span><span id="libmolgrid::SamplingExampleRefProvider::R__std::uniform_real_distribution:double:"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1aa67a53b752d991d01964c5b57022d462"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">uniform_real_distribution</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">double</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0.0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider1RE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid26SamplingExampleRefProvider1RE"></span><span id="_CPPv2N10libmolgrid26SamplingExampleRefProvider1RE"></span><span id="libmolgrid::SamplingExampleRefProvider::R__std::uniform_real_distribution:double:"></span><span class="target" id="classlibmolgrid_1_1SamplingExampleRefProvider_1aa67a53b752d991d01964c5b57022d462"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">uniform_real_distribution</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">double</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">R</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="p"><span class="pre">{</span></span><span class="m"><span class="pre">0.0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><span class="p"><span class="pre">}</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid26SamplingExampleRefProvider1RE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4243,15 +4408,15 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SamplingExa
 
 </section>
 <section id="the-stringcache-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">StringCache</span></code> class<a class="headerlink" href="#the-stringcache-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">StringCache</span></code> class<a class="headerlink" href="#the-stringcache-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11StringCacheE">
-<span id="_CPPv3N10libmolgrid11StringCacheE"></span><span id="_CPPv2N10libmolgrid11StringCacheE"></span><span id="libmolgrid::StringCache"></span><span class="target" id="classlibmolgrid_1_1StringCache"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">StringCache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCacheE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11StringCacheE"></span><span id="_CPPv2N10libmolgrid11StringCacheE"></span><span id="libmolgrid::StringCache"></span><span class="target" id="classlibmolgrid_1_1StringCache"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">StringCache</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCacheE" title="Link to this definition"></a><br /></dt>
 <dd><div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11StringCache3getERKNSt6stringE">
-<span id="_CPPv3N10libmolgrid11StringCache3getERKNSt6stringE"></span><span id="_CPPv2N10libmolgrid11StringCache3getERKNSt6stringE"></span><span id="libmolgrid::StringCache::get__ssCR"></span><span class="target" id="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">get</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">s</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCache3getERKNSt6stringE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11StringCache3getERKNSt6stringE"></span><span id="_CPPv2N10libmolgrid11StringCache3getERKNSt6stringE"></span><span id="libmolgrid::StringCache::get__ssCR"></span><span class="target" id="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">get</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">s</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCache3getERKNSt6stringE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4259,7 +4424,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">StringCache
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid11StringCache7stringsE">
-<span id="_CPPv3N10libmolgrid11StringCache7stringsE"></span><span id="_CPPv2N10libmolgrid11StringCache7stringsE"></span><span id="libmolgrid::StringCache::strings__std::unordered_set:ss:"></span><span class="target" id="classlibmolgrid_1_1StringCache_1a0f0c8f33554e4df84d6856d57bce7295"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_set</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">strings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCache7stringsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid11StringCache7stringsE"></span><span id="_CPPv2N10libmolgrid11StringCache7stringsE"></span><span id="libmolgrid::StringCache::strings__std::unordered_set:ss:"></span><span class="target" id="classlibmolgrid_1_1StringCache_1a0f0c8f33554e4df84d6856d57bce7295"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_set</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">strings</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid11StringCache7stringsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4267,40 +4432,40 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">StringCache
 
 </section>
 <section id="the-subsetatommapper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class<a class="headerlink" href="#the-subsetatommapper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class<a class="headerlink" href="#the-subsetatommapper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapperE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapperE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapperE"></span><span id="libmolgrid::SubsetAtomMapper"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="libmolgrid::AtomIndexTypeMapper"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapperE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapperE"></span><span id="libmolgrid::SubsetAtomMapper"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid19AtomIndexTypeMapperE" title="libmolgrid::AtomIndexTypeMapper"><span class="n"><span class="pre">AtomIndexTypeMapper</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="Link to this definition"></a><br /></dt>
 <dd><p>Map atom types onto a provided subset. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsetAtomMapper::SubsetAtomMapper__std::vector:i:CR.b.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a4a83e99735e832950df79857b47d8d84"></span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">old_names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsetAtomMapper::SubsetAtomMapper__std::vector:i:CR.b.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a4a83e99735e832950df79857b47d8d84"></span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">old_names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorIiEEbRKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>Indices of map are new types, values are the old types, if include_catchall is true, the last type will be the type returned for anything not in map (otherwise -1 is returned) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsetAtomMapper::SubsetAtomMapper__std::vector:std::vector:i::CR.b.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1ad0d2057e289454c58a7c519a3ec977f2"></span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">old_names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsetAtomMapper::SubsetAtomMapper__std::vector:std::vector:i::CR.b.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1ad0d2057e289454c58a7c519a3ec977f2"></span><span class="sig-name descname"><span class="n"><span class="pre">SubsetAtomMapper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">old_names</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">(</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper16SubsetAtomMapperERKNSt6vectorINSt6vectorIiEEEEbRKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd><p>surjective mapping </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16SubsetAtomMapper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper9num_typesEv"></span><span id="libmolgrid::SubsetAtomMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper9num_typesEv"></span><span id="libmolgrid::SubsetAtomMapper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of mapped types, zero if unknown (no mapping) </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16SubsetAtomMapper12get_new_typeEj">
-<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper12get_new_typeEj"></span><span id="libmolgrid::SubsetAtomMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper12get_new_typeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper12get_new_typeEj"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper12get_new_typeEj"></span><span id="libmolgrid::SubsetAtomMapper::get_new_type__unsignedC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_new_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">origt</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper12get_new_typeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>return mapped type </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid16SubsetAtomMapper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper14get_type_namesEv"></span><span id="libmolgrid::SubsetAtomMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid16SubsetAtomMapper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid16SubsetAtomMapper14get_type_namesEv"></span><span id="libmolgrid::SubsetAtomMapper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid16SubsetAtomMapper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types </p>
 </dd></dl>
 
@@ -4309,22 +4474,22 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomM
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper7old2newE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper7old2newE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper7old2newE"></span><span id="libmolgrid::SubsetAtomMapper::old2new__std::unordered_map:i.i:"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a22c8139c583bd8549ed55d3ca4db13ab"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old2new</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper7old2newE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper7old2newE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper7old2newE"></span><span id="libmolgrid::SubsetAtomMapper::old2new__std::unordered_map:i.i:"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a22c8139c583bd8549ed55d3ca4db13ab"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">unordered_map</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">old2new</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper7old2newE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper14new_type_namesE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper14new_type_namesE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper14new_type_namesE"></span><span id="libmolgrid::SubsetAtomMapper::new_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a13a0fc95c51121d146263a7c52618f50"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">new_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper14new_type_namesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper14new_type_namesE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper14new_type_namesE"></span><span id="libmolgrid::SubsetAtomMapper::new_type_names__std::vector:ss:"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a13a0fc95c51121d146263a7c52618f50"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">new_type_names</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper14new_type_namesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper12default_typeE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper12default_typeE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper12default_typeE"></span><span id="libmolgrid::SubsetAtomMapper::default_type__i"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1af46a482e7cac1e3650b72be3281c229a"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper12default_typeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper12default_typeE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper12default_typeE"></span><span id="libmolgrid::SubsetAtomMapper::default_type__i"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1af46a482e7cac1e3650b72be3281c229a"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">default_type</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="o"><span class="pre">-</span></span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper12default_typeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid16SubsetAtomMapper13num_new_typesE">
-<span id="_CPPv3N10libmolgrid16SubsetAtomMapper13num_new_typesE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper13num_new_typesE"></span><span id="libmolgrid::SubsetAtomMapper::num_new_types__unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a2fd112052ac414d508d2560c3d26bf6f"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_new_types</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper13num_new_typesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid16SubsetAtomMapper13num_new_typesE"></span><span id="_CPPv2N10libmolgrid16SubsetAtomMapper13num_new_typesE"></span><span id="libmolgrid::SubsetAtomMapper::num_new_types__unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsetAtomMapper_1a2fd112052ac414d508d2560c3d26bf6f"></span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_new_types</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid16SubsetAtomMapper13num_new_typesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4332,89 +4497,71 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomM
 
 </section>
 <section id="the-subsettedelementtyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class<a class="headerlink" href="#the-subsettedelementtyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class<a class="headerlink" href="#the-subsettedelementtyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyperE">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyperE"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyperE"></span><span id="libmolgrid::SubsettedElementTyper"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="libmolgrid::SubsetAtomMapper"><span class="n"><span class="pre">SubsetAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyperE"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyperE"></span><span id="libmolgrid::SubsettedElementTyper"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="libmolgrid::SubsetAtomMapper"><span class="n"><span class="pre">SubsetAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>subsetting element types, derived class for convenient initialization </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__std::vector:i:CR.b.unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__std::vector:i:CR.b.unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorIiEEbj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__ElementIndexTyperCR.std::vector:i:CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__ElementIndexTyperCR.std::vector:i:CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorIiEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__std::vector:std::vector:i::CR.b.unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__std::vector:std::vector:i::CR.b.unsigned"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">maxe</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">84</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERKNSt6vectorINSt6vectorIiEEEEbj" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__ElementIndexTyperCR.std::vector:std::vector:i::CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="libmolgrid::SubsettedElementTyper::SubsettedElementTyper__ElementIndexTyperCR.std::vector:std::vector:i::CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedElementTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid17ElementIndexTyperE" title="libmolgrid::ElementIndexTyper"><span class="n"><span class="pre">ElementIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper21SubsettedElementTyperERK17ElementIndexTyperRKNSt6vectorINSt6vectorIiEEEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper9num_typesEv"></span><span id="libmolgrid::SubsettedElementTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return number of types </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper9num_typesEv"></span><span id="libmolgrid::SubsettedElementTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::SubsettedElementTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::SubsettedElementTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper12get_int_typeEi"></span><span id="libmolgrid::SubsettedElementTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper12get_int_typeEi"></span><span id="libmolgrid::SubsettedElementTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper14get_type_namesEv"></span><span id="libmolgrid::SubsettedElementTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper14get_type_namesEv"></span><span id="libmolgrid::SubsettedElementTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv"></span><span id="libmolgrid::SubsettedElementTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv"></span><span id="libmolgrid::SubsettedElementTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>radii are the average of the underlying mapped types </p>
 </dd></dl>
 
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><br /></dt>
-<dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
-</dd></dl>
-
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::SubsettedElementTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::SubsettedElementTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv"></span><span id="libmolgrid::SubsettedElementTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv"></span><span id="libmolgrid::SubsettedElementTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid21SubsettedElementTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4422,7 +4569,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedEl
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsettedElementTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsettedElementTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid21SubsettedElementTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4430,89 +4577,71 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedEl
 
 </section>
 <section id="the-subsettedgninatyper-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedGninaTyper</span></code> class<a class="headerlink" href="#the-subsettedgninatyper-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedGninaTyper</span></code> class<a class="headerlink" href="#the-subsettedgninatyper-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyperE">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyperE"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyperE"></span><span id="libmolgrid::SubsettedGninaTyper"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="libmolgrid::SubsetAtomMapper"><span class="n"><span class="pre">SubsetAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyperE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyperE"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyperE"></span><span id="libmolgrid::SubsettedGninaTyper"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I00EN10libmolgrid20MappedAtomIndexTyperE" title="libmolgrid::MappedAtomIndexTyper"><span class="n"><span class="pre">MappedAtomIndexTyper</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid16SubsetAtomMapperE" title="libmolgrid::SubsetAtomMapper"><span class="n"><span class="pre">SubsetAtomMapper</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="p"><span class="pre">&gt;</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyperE" title="Link to this definition"></a><br /></dt>
 <dd><p>subsetting gnina types, derived class for convenient initialization </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__std::vector:i:CR.b.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__std::vector:i:CR.b.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorIiEEbb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__GninaIndexTyperCR.std::vector:i:CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__GninaIndexTyperCR.std::vector:i:CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorIiEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__std::vector:std::vector:i::CR.b.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__std::vector:std::vector:i::CR.b.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">usec</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERKNSt6vectorINSt6vectorIiEEEEbb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__GninaIndexTyperCR.std::vector:std::vector:i::CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb"></span><span id="libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper__GninaIndexTyperCR.std::vector:std::vector:i::CR.b"></span><span class="target" id="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">SubsettedGninaTyper</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid15GninaIndexTyperE" title="libmolgrid::GninaIndexTyper"><span class="n"><span class="pre">GninaIndexTyper</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">etyper</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">&gt;</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">map</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">include_catchall</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper19SubsettedGninaTyperERK15GninaIndexTyperRKNSt6vectorINSt6vectorIiEEEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper9num_typesEv"></span><span id="libmolgrid::SubsettedGninaTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return number of types </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper9num_typesEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper9num_typesEv"></span><span id="libmolgrid::SubsettedGninaTyper::num_typesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_types</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper9num_typesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of types </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::SubsettedGninaTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE"></span><span id="libmolgrid::SubsettedGninaTyper::get_atom_type_index__OpenBabel::OBAtomPC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_index</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper19get_atom_type_indexEPN9OpenBabel6OBAtomE" title="Link to this definition"></a><br /></dt>
 <dd><p>return type index of a </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi"></span><span id="libmolgrid::SubsettedGninaTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi"></span><span id="libmolgrid::SubsettedGninaTyper::get_int_type__iC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">pair</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">int</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_int_type</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper12get_int_typeEi" title="Link to this definition"></a><br /></dt>
 <dd><p>return type and radius given a precomputed type, the meaning of which is specific to the implementation </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv"></span><span id="libmolgrid::SubsettedGninaTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv" title="Permalink to this definition"></a><br /></dt>
-<dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
-</dd></dl>
-
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv"></span><span id="libmolgrid::SubsettedGninaTyper::get_type_namesC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_names</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_namesEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return vector of string representations of types this isn’t expected to be particularly efficient </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv"></span><span id="libmolgrid::SubsettedGninaTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv"></span><span id="libmolgrid::SubsettedGninaTyper::get_type_radiiC"></span><span class="target" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper14get_type_radiiEv" title="Link to this definition"></a><br /></dt>
 <dd><p>radii are the average of the underlying mapped types </p>
 </dd></dl>
 
-<dl class="cpp function">
-<dt class="sig sig-object cpp">
-<span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_type_radii</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><br /></dt>
-<dd><p>if applicable to the typer, return the standard atomic radius of each type </p>
-</dd></dl>
-
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::SubsettedGninaTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE"></span><span id="libmolgrid::SubsettedGninaTyper::get_atom_type_vector__OpenBabel::OBAtomP.std::vector:float:RC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_atom_type_vector</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">OpenBabel</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">OBAtom</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">a</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="kt"><span class="pre">float</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">typ</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="k"><span class="pre">final</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper20get_atom_type_vectorEPN9OpenBabel6OBAtomERNSt6vectorIfEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv">
-<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv"></span><span id="libmolgrid::SubsettedGninaTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv"></span><span id="_CPPv2NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv"></span><span id="libmolgrid::SubsettedGninaTyper::is_vector_typerC"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_vector_typer</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid19SubsettedGninaTyper15is_vector_typerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4520,7 +4649,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedGn
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE">
-<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsettedGninaTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="_CPPv2N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE"></span><span id="libmolgrid::SubsettedGninaTyper::set_names__unsigned.std::vector:ss:R.std::vector:ss:CR"></span><span class="target" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_names</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">ntypes</span></span>, <span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">type_names</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">string</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">names</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid19SubsettedGninaTyper9set_namesEjRNSt6vectorINSt6stringEEERKNSt6vectorINSt6stringEEE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4528,92 +4657,92 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">SubsettedGn
 
 </section>
 <section id="the-transform-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class<a class="headerlink" href="#the-transform-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class<a class="headerlink" href="#the-transform-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9TransformE">
-<span id="_CPPv3N10libmolgrid9TransformE"></span><span id="_CPPv2N10libmolgrid9TransformE"></span><span id="libmolgrid::Transform"></span><span class="target" id="classlibmolgrid_1_1Transform"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9TransformE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9TransformE"></span><span id="_CPPv2N10libmolgrid9TransformE"></span><span id="libmolgrid::Transform"></span><span class="target" id="classlibmolgrid_1_1Transform"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9TransformE" title="Link to this definition"></a><br /></dt>
 <dd><p>Stateful transformation of Cartesian coordinates. </p>
 <p>Stores a center of rotation, quaternion, and translation. Can apply transformation forward or backward, with or without translations. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform9TransformEv">
-<span id="_CPPv3N10libmolgrid9Transform9TransformEv"></span><span id="_CPPv2N10libmolgrid9Transform9TransformEv"></span><span id="libmolgrid::Transform::Transform"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform9TransformEv"></span><span id="_CPPv2N10libmolgrid9Transform9TransformEv"></span><span id="libmolgrid::Transform::Transform"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform9TransformERK10Quaternion6float36float3">
-<span id="_CPPv3N10libmolgrid9Transform9TransformERK10Quaternion6float36float3"></span><span id="_CPPv2N10libmolgrid9Transform9TransformERK10Quaternion6float36float3"></span><span id="libmolgrid::Transform::Transform__QuaternionCR.float3.float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9297cddcfa3ce722db2b9d947faf5fc1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">q</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">)</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformERK10Quaternion6float36float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform9TransformERK10Quaternion6float36float3"></span><span id="_CPPv2N10libmolgrid9Transform9TransformERK10Quaternion6float36float3"></span><span id="libmolgrid::Transform::Transform__QuaternionCR.float3.float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9297cddcfa3ce722db2b9d947faf5fc1"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">q</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">)</span></span>, <span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="n"><span class="pre">make_float3</span></span><span class="p"><span class="pre">(</span></span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><span class="p"><span class="pre">)</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformERK10Quaternion6float36float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform9TransformE6float3fb">
-<span id="_CPPv3N10libmolgrid9Transform9TransformE6float3fb"></span><span id="_CPPv2N10libmolgrid9Transform9TransformE6float3fb"></span><span id="libmolgrid::Transform::Transform__float3.float.b"></span><span class="target" id="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed"></span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformE6float3fb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform9TransformE6float3fb"></span><span id="_CPPv2N10libmolgrid9Transform9TransformE6float3fb"></span><span id="libmolgrid::Transform::Transform__float3.float.b"></span><span class="target" id="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed"></span><span class="sig-name descname"><span class="n"><span class="pre">Transform</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span>, <span class="kt"><span class="pre">float</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_translate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0.0</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">random_rotate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9TransformE6float3fb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb">
-<span id="_CPPv3I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb">
-<span id="_CPPv3NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb"></span><span id="_CPPv2NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb"></span><span id="libmolgrid::Transform::forward__ExampleCR.ExampleR.bC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb"></span><span id="_CPPv2NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb"></span><span id="libmolgrid::Transform::forward__ExampleCR.ExampleR.bC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid7ExampleE" title="libmolgrid::Example"><span class="n"><span class="pre">Example</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform7forwardERK7ExampleR7Exampleb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb">
-<span id="_CPPv3NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb"></span><span id="_CPPv2NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb"></span><span id="libmolgrid::Transform::forward__CoordinateSetCR.CoordinateSetR.bC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb"></span><span id="_CPPv2NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb"></span><span id="libmolgrid::Transform::forward__CoordinateSetCR.CoordinateSetR.bC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4N10libmolgrid13CoordinateSetE" title="libmolgrid::CoordinateSet"><span class="n"><span class="pre">CoordinateSet</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform7forwardERK13CoordinateSetR13CoordinateSetb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb">
-<span id="_CPPv3I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1a02a7b99aacab34a6f1e7133f90b1c5cc"></span><span class="pre">__host__</span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform7forwardERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1aaac1c3c99bd6c9f760db45e134ee7421"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">forward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::forward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform7forwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb">
-<span id="_CPPv3I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeX2EXfalseEER4GridI5DtypeX2EXfalseEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL0EEER4GridI5DtypeXL2EEXL0EEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb">
-<span id="_CPPv3I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1ae727e7895d2679acb5ed248e28fca99f"></span><span class="pre">__host__</span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb"></span><span id="_CPPv2I0ENK10libmolgrid9Transform8backwardERK4GridI5DtypeX2EXtrueEER4GridI5DtypeX2EXtrueEEb"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f"></span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">backward</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="libmolgrid::Transform::backward::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span>, <span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">dotranslate</span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0ENK10libmolgrid9Transform8backwardEvRK4GridI5DtypeXL2EEXL1EEER4GridI5DtypeXL2EEXL1EEEb" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform14get_quaternionEv">
-<span id="_CPPv3NK10libmolgrid9Transform14get_quaternionEv"></span><span id="_CPPv2NK10libmolgrid9Transform14get_quaternionEv"></span><span id="libmolgrid::Transform::get_quaternionC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_quaternion</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform14get_quaternionEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform14get_quaternionEv"></span><span id="_CPPv2NK10libmolgrid9Transform14get_quaternionEv"></span><span id="libmolgrid::Transform::get_quaternionC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="n"><span class="pre">get_quaternion</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform14get_quaternionEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform19get_rotation_centerEv">
-<span id="_CPPv3NK10libmolgrid9Transform19get_rotation_centerEv"></span><span id="_CPPv2NK10libmolgrid9Transform19get_rotation_centerEv"></span><span id="libmolgrid::Transform::get_rotation_centerC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_rotation_center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform19get_rotation_centerEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform19get_rotation_centerEv"></span><span id="_CPPv2NK10libmolgrid9Transform19get_rotation_centerEv"></span><span id="libmolgrid::Transform::get_rotation_centerC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_rotation_center</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform19get_rotation_centerEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform15get_translationEv">
-<span id="_CPPv3NK10libmolgrid9Transform15get_translationEv"></span><span id="_CPPv2NK10libmolgrid9Transform15get_translationEv"></span><span id="libmolgrid::Transform::get_translationC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_translation</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform15get_translationEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform15get_translationEv"></span><span id="_CPPv2NK10libmolgrid9Transform15get_translationEv"></span><span id="libmolgrid::Transform::get_translationC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_translation</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform15get_translationEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform14set_quaternionERK10Quaternion">
-<span id="_CPPv3N10libmolgrid9Transform14set_quaternionERK10Quaternion"></span><span id="_CPPv2N10libmolgrid9Transform14set_quaternionERK10Quaternion"></span><span id="libmolgrid::Transform::set_quaternion__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9e38010f3139c44bade78285ff2592fc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_quaternion</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">q</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform14set_quaternionERK10Quaternion" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform14set_quaternionERK10Quaternion"></span><span id="_CPPv2N10libmolgrid9Transform14set_quaternionERK10Quaternion"></span><span id="libmolgrid::Transform::set_quaternion__QuaternionCR"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9e38010f3139c44bade78285ff2592fc"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_quaternion</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">q</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform14set_quaternionERK10Quaternion" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform19set_rotation_centerE6float3">
-<span id="_CPPv3N10libmolgrid9Transform19set_rotation_centerE6float3"></span><span id="_CPPv2N10libmolgrid9Transform19set_rotation_centerE6float3"></span><span id="libmolgrid::Transform::set_rotation_center__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_rotation_center</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform19set_rotation_centerE6float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform19set_rotation_centerE6float3"></span><span id="_CPPv2N10libmolgrid9Transform19set_rotation_centerE6float3"></span><span id="libmolgrid::Transform::set_rotation_center__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_rotation_center</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">c</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform19set_rotation_centerE6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform15set_translationE6float3">
-<span id="_CPPv3N10libmolgrid9Transform15set_translationE6float3"></span><span id="_CPPv2N10libmolgrid9Transform15set_translationE6float3"></span><span id="libmolgrid::Transform::set_translation__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_translation</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform15set_translationE6float3" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform15set_translationE6float3"></span><span id="_CPPv2N10libmolgrid9Transform15set_translationE6float3"></span><span id="libmolgrid::Transform::set_translation__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">set_translation</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">t</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform15set_translationE6float3" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid9Transform11is_identityEv">
-<span id="_CPPv3NK10libmolgrid9Transform11is_identityEv"></span><span id="_CPPv2NK10libmolgrid9Transform11is_identityEv"></span><span id="libmolgrid::Transform::is_identityC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_identity</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform11is_identityEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid9Transform11is_identityEv"></span><span id="_CPPv2NK10libmolgrid9Transform11is_identityEv"></span><span id="libmolgrid::Transform::is_identityC"></span><span class="target" id="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_identity</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid9Transform11is_identityEv" title="Link to this definition"></a><br /></dt>
 <dd><p>transformation does not change inputs </p>
 </dd></dl>
 
@@ -4622,7 +4751,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Transform</
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-functions">Private Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE">
-<span id="_CPPv3I0_bENK10libmolgrid9Transform10checkGridsERK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE"></span><span id="_CPPv2I0_bENK10libmolgrid9Transform10checkGridsERK4GridI5DtypeX2E6isCUDAERK4GridI5DtypeX2E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1a7fdaab395dcced8aaa593873bfe85cfd"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">checkGrids</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0_bENK10libmolgrid9Transform10checkGridsERK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE"></span><span id="_CPPv2I0_bENK10libmolgrid9Transform10checkGridsERK4GridI5DtypeX2E6isCUDAERK4GridI5DtypeX2E6isCUDAE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">typename</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Dtype</span></span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">isCUDA</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1Transform_1a7fdaab395dcced8aaa593873bfe85cfd"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">checkGrids</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">in</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_NSt6size_tE_bEN10libmolgrid4GridE" title="libmolgrid::Grid"><span class="n"><span class="pre">Grid</span></span></a><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::Dtype"><span class="n"><span class="pre">Dtype</span></span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="m"><span class="pre">2</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="libmolgrid::Transform::checkGrids::isCUDA"><span class="n"><span class="pre">isCUDA</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">out</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4I0_bENK10libmolgrid9Transform10checkGridsEvRK4GridI5DtypeXL2EE6isCUDAERK4GridI5DtypeXL2EE6isCUDAE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4630,17 +4759,17 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Transform</
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform1QE">
-<span id="_CPPv3N10libmolgrid9Transform1QE"></span><span id="_CPPv2N10libmolgrid9Transform1QE"></span><span id="libmolgrid::Transform::Q__Quaternion"></span><span class="target" id="classlibmolgrid_1_1Transform_1a8a750ded4f6eb72805026780b7d993f4"></span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Q</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform1QE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform1QE"></span><span id="_CPPv2N10libmolgrid9Transform1QE"></span><span id="libmolgrid::Transform::Q__Quaternion"></span><span class="target" id="classlibmolgrid_1_1Transform_1a8a750ded4f6eb72805026780b7d993f4"></span><a class="reference internal" href="#_CPPv4N10libmolgrid10QuaternionE" title="libmolgrid::Quaternion"><span class="n"><span class="pre">Quaternion</span></span></a><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Q</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform1QE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform6centerE">
-<span id="_CPPv3N10libmolgrid9Transform6centerE"></span><span id="_CPPv2N10libmolgrid9Transform6centerE"></span><span id="libmolgrid::Transform::center__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1ae6640dffce5073d38fa0161f26947f2a"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform6centerE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform6centerE"></span><span id="_CPPv2N10libmolgrid9Transform6centerE"></span><span id="libmolgrid::Transform::center__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1ae6640dffce5073d38fa0161f26947f2a"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">center</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform6centerE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid9Transform9translateE">
-<span id="_CPPv3N10libmolgrid9Transform9translateE"></span><span id="_CPPv2N10libmolgrid9Transform9translateE"></span><span id="libmolgrid::Transform::translate__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9e15220092a129a830bf3778c7f55f4f"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">translate</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9translateE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid9Transform9translateE"></span><span id="_CPPv2N10libmolgrid9Transform9translateE"></span><span id="libmolgrid::Transform::translate__float3"></span><span class="target" id="classlibmolgrid_1_1Transform_1a9e15220092a129a830bf3778c7f55f4f"></span><span class="n"><span class="pre">float3</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">translate</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid9Transform9translateE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4648,100 +4777,100 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 </section>
 <section id="the-uniformexamplerefprovider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">UniformExampleRefProvider</span></code> class<a class="headerlink" href="#the-uniformexamplerefprovider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">UniformExampleRefProvider</span></code> class<a class="headerlink" href="#the-uniformexamplerefprovider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProviderE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProviderE"></span><span id="libmolgrid::UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProviderE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProviderE"></span><span id="libmolgrid::UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProviderE" title="Link to this definition"></a><br /></dt>
 <dd><p>single array of examples, possibly shuffled or copied </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv"></span><span id="libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv"></span><span id="libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings"></span><span id="libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">UniformExampleRefProvider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">settings</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider25UniformExampleRefProviderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::UniformExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef"></span><span id="libmolgrid::UniformExampleRefProvider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::UniformExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider10num_labelsEv"></span><span id="libmolgrid::UniformExampleRefProvider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider5setupEv">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5setupEv"></span><span id="libmolgrid::UniformExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5setupEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5setupEv"></span><span id="libmolgrid::UniformExampleRefProvider::setup"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::UniformExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef"></span><span id="libmolgrid::UniformExampleRefProvider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider4sizeEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider4sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider4sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider4sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProviderixE6size_t">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProviderixE6size_t"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProviderixE6size_t"></span><span id="libmolgrid::UniformExampleRefProvider::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8100f1f3e6e934f1400566e80d971f8d"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">idx</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProviderixE6size_t" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProviderixE6size_t"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProviderixE6size_t"></span><span id="libmolgrid::UniformExampleRefProvider::subscript-operator__sC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8100f1f3e6e934f1400566e80d971f8d"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="sig-name descname"><span class="k"><span class="pre">operator</span></span><span class="o"><span class="pre">[]</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">idx</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProviderixE6size_t" title="Link to this definition"></a><br /></dt>
 <dd><p>Provide <a class="reference internal" href="#structlibmolgrid_1_1ExampleRef"><span class="std std-ref">ExampleRef</span></a> at position idx. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::UniformExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv"></span><span id="libmolgrid::UniformExampleRefProvider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::UniformExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv"></span><span id="libmolgrid::UniformExampleRefProvider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv"></span><span id="libmolgrid::UniformExampleRefProvider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider5resetEv">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5resetEv"></span><span id="libmolgrid::UniformExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5resetEv"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5resetEv"></span><span id="libmolgrid::UniformExampleRefProvider::reset"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider9has_groupEv"></span><span id="libmolgrid::UniformExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider9has_groupEv"></span><span id="libmolgrid::UniformExampleRefProvider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::UniformExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj"></span><span id="libmolgrid::UniformExampleRefProvider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid25UniformExampleRefProvider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::UniformExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi"></span><span id="libmolgrid::UniformExampleRefProvider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
@@ -4750,37 +4879,37 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">UniformExam
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider3allE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider3allE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider3allE"></span><span id="libmolgrid::UniformExampleRefProvider::all__std::vector:ExampleRef:"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1abc218ecac4fd64c0dd2b9949a9086ed1"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">all</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider3allE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider3allE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider3allE"></span><span id="libmolgrid::UniformExampleRefProvider::all__std::vector:ExampleRef:"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1abc218ecac4fd64c0dd2b9949a9086ed1"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">all</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider3allE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider7currentE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7currentE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7currentE"></span><span id="libmolgrid::UniformExampleRefProvider::current__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7currentE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7currentE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7currentE"></span><span id="libmolgrid::UniformExampleRefProvider::current__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7currentE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider12current_copyE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider12current_copyE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider12current_copyE"></span><span id="libmolgrid::UniformExampleRefProvider::current_copy__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac7ef53ed84fcaddbb0cfb7531cda107d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_copy</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider12current_copyE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider12current_copyE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider12current_copyE"></span><span id="libmolgrid::UniformExampleRefProvider::current_copy__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac7ef53ed84fcaddbb0cfb7531cda107d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">current_copy</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider12current_copyE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider7nlabelsE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7nlabelsE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7nlabelsE"></span><span id="libmolgrid::UniformExampleRefProvider::nlabels__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a25537b2f335dc2c2ffb4807fe99ee98f"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nlabels</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7nlabelsE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7nlabelsE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7nlabelsE"></span><span id="libmolgrid::UniformExampleRefProvider::nlabels__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a25537b2f335dc2c2ffb4807fe99ee98f"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nlabels</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7nlabelsE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider5epochE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5epochE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5epochE"></span><span id="libmolgrid::UniformExampleRefProvider::epoch__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8635c6532e6f3713d63dc83bc8961b63"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">epoch</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5epochE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider5epochE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider5epochE"></span><span id="libmolgrid::UniformExampleRefProvider::epoch__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8635c6532e6f3713d63dc83bc8961b63"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">epoch</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider5epochE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider9randomizeE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider9randomizeE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider9randomizeE"></span><span id="libmolgrid::UniformExampleRefProvider::randomize__b"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">randomize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider9randomizeE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider9randomizeE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider9randomizeE"></span><span id="libmolgrid::UniformExampleRefProvider::randomize__b"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">randomize</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">false</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider9randomizeE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid25UniformExampleRefProvider7ncopiesE">
-<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7ncopiesE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7ncopiesE"></span><span id="libmolgrid::UniformExampleRefProvider::ncopies__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a0d7036b6a3771a52de28c0fcf43159a8"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ncopies</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7ncopiesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid25UniformExampleRefProvider7ncopiesE"></span><span id="_CPPv2N10libmolgrid25UniformExampleRefProvider7ncopiesE"></span><span id="libmolgrid::UniformExampleRefProvider::ncopies__s"></span><span class="target" id="classlibmolgrid_1_1UniformExampleRefProvider_1a0d7036b6a3771a52de28c0fcf43159a8"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ncopies</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">1</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid25UniformExampleRefProvider7ncopiesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4788,94 +4917,94 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">UniformExam
 
 </section>
 <section id="the-valuestratifiedexamplerefprofider-class">
-<h2>The <code class="docutils literal notranslate"><span class="pre">ValueStratifiedExampleRefProfider</span></code> class<a class="headerlink" href="#the-valuestratifiedexamplerefprofider-class" title="Permalink to this headline"></a></h2>
+<h2>The <code class="docutils literal notranslate"><span class="pre">ValueStratifiedExampleRefProfider</span></code> class<a class="headerlink" href="#the-valuestratifiedexamplerefprofider-class" title="Link to this heading"></a></h2>
 <dl class="cpp class">
 <dt class="sig sig-object cpp" id="_CPPv4I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE">
-<span id="_CPPv3I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE"></span><span id="_CPPv2I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-prename descclassname"><span class="n"><span class="pre">libmolgrid</span></span><span class="p"><span class="pre">::</span></span></span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE"></span><span id="_CPPv2I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE"></span><span class="k"><span class="pre">template</span></span><span class="p"><span class="pre">&lt;</span></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Provider</span></span></span><span class="p"><span class="pre">&gt;</span></span><br /><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="w"> </span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="k"><span class="pre">public</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid18ExampleRefProviderE" title="libmolgrid::ExampleRefProvider"><span class="n"><span class="pre">ExampleRefProvider</span></span></a><a class="headerlink" href="#_CPPv4I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE" title="Link to this definition"></a><br /></dt>
 <dd><p>Partition examples by affinity and sample uniformly from each affinity bin affinities are binned by absolute value according to molgriddataparameters. </p>
 <div class="breathe-sectiondef docutils container">
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">parm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider__ExampleProviderSettingsCR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">ValueStratifiedExampleRefProfider</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid23ExampleProviderSettingsE" title="libmolgrid::ExampleProviderSettings"><span class="n"><span class="pre">ExampleProviderSettings</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">parm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider33ValueStratifiedExampleRefProfiderERK23ExampleProviderSettings" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::addref__ExampleRefCR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">addref</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6addrefERK10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::num_labelsC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad61784c785dd62f4d4e1d1fec3cf2f6e"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">num_labels</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider10num_labelsEv" title="Link to this definition"></a><br /></dt>
 <dd><p>return number of labels in <em>an</em> example </p>
 <p>if provider has predetermined batch size </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::setup"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::setup"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">setup</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5setupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::nextref__ExampleRefR"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">nextref</span></span></span><span class="sig-paren">(</span><a class="reference internal" href="#_CPPv4N10libmolgrid10ExampleRefE" title="libmolgrid::ExampleRef"><span class="n"><span class="pre">ExampleRef</span></span></a><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">ex</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7nextrefER10ExampleRef" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a126a73e6d140f9e2a7b795c20fa42f70"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider4sizeEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::small_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a9c66646cb491b4c4620dcfe627f5451d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">small_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16small_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in small epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::large_epoch_sizeC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ac2a4bfd5fd0579c2377a181a7bae1395"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">large_epoch_size</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16large_epoch_sizeEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return number of example in large epoch. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::reset"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::reset"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">reset</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider5resetEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Reset iterators to start. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::has_groupC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">has_group</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider9has_groupEv" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::check_batch_size__unsignedC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">void</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">check_batch_size</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">bsize</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider16check_batch_sizeEj" title="Link to this definition"></a><br /></dt>
 <dd><p>has group field </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::populate__isR.i"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95"></span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">populate</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">istream</span></span><span class="w"> </span><span class="p"><span class="pre">&amp;</span></span><span class="n sig-param"><span class="pre">lines</span></span>, <span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">numlabels</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8populateERNSt7istreamEi" title="Link to this definition"></a><br /></dt>
 <dd><p>read in all the example refs from lines, but does not setup </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::get_small_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_small_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_small_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current small epoch number. </p>
 </dd></dl>
 
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::get_large_epoch_numC"></span><span class="target" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="k"><span class="pre">virtual</span></span><span class="w"> </span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">get_large_epoch_num</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider19get_large_epoch_numEv" title="Link to this definition"></a><br /></dt>
 <dd><p>Return current large epoch number. </p>
 </dd></dl>
 
@@ -4884,7 +5013,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ValueStrati
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-functions">Private Functions</p>
 <dl class="cpp function">
 <dt class="sig sig-object cpp" id="_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd">
-<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::bin__doubleC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aafe02a48e6c0a187ad218cffeddab088"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">bin</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">val</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd"></span><span id="_CPPv2NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::bin__doubleC"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aafe02a48e6c0a187ad218cffeddab088"></span><span class="k"><span class="pre">inline</span></span><span class="w"> </span><span class="kt"><span class="pre">unsigned</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">bin</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="n sig-param"><span class="pre">val</span></span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK10libmolgrid33ValueStratifiedExampleRefProfider3binEd" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4892,37 +5021,37 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ValueStrati
 <p class="breathe-sectiondef-title rubric" id="breathe-section-title-private-members">Private Members</p>
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::examples__std::vector:Provider:"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a6679797ca81af02c9ba75e65ccf4c836"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE" title="libmolgrid::ValueStratifiedExampleRefProfider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::examples__std::vector:Provider:"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a6679797ca81af02c9ba75e65ccf4c836"></span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre">&lt;</span></span><a class="reference internal" href="#_CPPv4I0EN10libmolgrid33ValueStratifiedExampleRefProfiderE" title="libmolgrid::ValueStratifiedExampleRefProfider::Provider"><span class="n"><span class="pre">Provider</span></span></a><span class="p"><span class="pre">&gt;</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">examples</span></span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8examplesE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::currenti__s"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a465880796d95af0ed2be2a015b58202d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currenti</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::currenti__s"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a465880796d95af0ed2be2a015b58202d"></span><span class="n"><span class="pre">size_t</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">currenti</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider8currentiE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3minE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider3minE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider3minE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::min__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aad36546e8175d2922bee165fe028fedc"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">min</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3minE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider3minE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider3minE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::min__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aad36546e8175d2922bee165fe028fedc"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">min</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3minE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3maxE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider3maxE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider3maxE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::max__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a0b0ede69e8156eb97acc579b88e883de"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">max</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3maxE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider3maxE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider3maxE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::max__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a0b0ede69e8156eb97acc579b88e883de"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">max</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider3maxE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider4stepE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider4stepE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider4stepE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::step__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4736138d712d9ee570d0652f08a4786a"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">step</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider4stepE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider4stepE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider4stepE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::step__double"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4736138d712d9ee570d0652f08a4786a"></span><span class="kt"><span class="pre">double</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">step</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider4stepE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6valposE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider6valposE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider6valposE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::valpos__i"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a61e9e4f44d01297c0fdd0d3fe827d534"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">valpos</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6valposE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider6valposE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider6valposE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::valpos__i"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a61e9e4f44d01297c0fdd0d3fe827d534"></span><span class="kt"><span class="pre">int</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">valpos</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="m"><span class="pre">0</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider6valposE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 <dl class="cpp var">
 <dt class="sig sig-object cpp" id="_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE">
-<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::use_abs__b"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a328cfab556bca9b9fffefeb43a0dc490"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_abs</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE" title="Permalink to this definition"></a><br /></dt>
+<span id="_CPPv3N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE"></span><span id="_CPPv2N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE"></span><span id="libmolgrid::ValueStratifiedExampleRefProfider::use_abs__b"></span><span class="target" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a328cfab556bca9b9fffefeb43a0dc490"></span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">use_abs</span></span></span><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="k"><span class="pre">true</span></span><a class="headerlink" href="#_CPPv4N10libmolgrid33ValueStratifiedExampleRefProfider7use_absE" title="Link to this definition"></a><br /></dt>
 <dd></dd></dl>
 
 </div>
@@ -4931,7 +5060,7 @@ <h2>The <code class="docutils literal notranslate"><span class="pre">ValueStrati
 </section>
 </section>
 <section id="indices-and-tables">
-<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Permalink to this headline"></a></h1>
+<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Link to this heading"></a></h1>
 <ul class="simple">
 <li><p><a class="reference internal" href="genindex.html"><span class="std std-ref">Index</span></a></p></li>
 <li><p><a class="reference internal" href="search.html"><span class="std std-ref">Search Page</span></a></p></li>
diff --git a/docs/cpp/objects.inv b/docs/cpp/objects.inv
index 6af25d3f9b7f6cf5588c41e07a7fcf0d2bba7d08..0d0ef372f2ad32bd3a33bc108a7a6c33ea2eb139 100644
GIT binary patch
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+  <option  id='UML_LOOK' default='yes' type='bool'><value>NO</value></option>
+  <option  id='UML_LIMIT_NUM_FIELDS' default='yes' type='int'><value>10</value></option>
+  <option  id='UML_MAX_EDGE_LABELS' default='yes' type='int'><value>10</value></option>
+  <option  id='DOT_UML_DETAILS' default='yes' type='string'><value>NO</value></option>
+  <option  id='DOT_WRAP_THRESHOLD' default='yes' type='int'><value>17</value></option>
+  <option  id='TEMPLATE_RELATIONS' default='yes' type='bool'><value>NO</value></option>
+  <option  id='INCLUDE_GRAPH' default='no' type='bool'><value>NO</value></option>
+  <option  id='INCLUDED_BY_GRAPH' default='yes' type='bool'><value>YES</value></option>
+  <option  id='CALL_GRAPH' default='yes' type='bool'><value>NO</value></option>
+  <option  id='CALLER_GRAPH' default='yes' type='bool'><value>NO</value></option>
+  <option  id='GRAPHICAL_HIERARCHY' default='no' type='bool'><value>NO</value></option>
+  <option  id='DIRECTORY_GRAPH' default='no' type='bool'><value>NO</value></option>
+  <option  id='DIR_GRAPH_MAX_DEPTH' default='yes' type='int'><value>1</value></option>
+  <option  id='DOT_IMAGE_FORMAT' default='yes' type='string'><value>png</value></option>
+  <option  id='INTERACTIVE_SVG' default='yes' type='bool'><value>NO</value></option>
+  <option  id='DOT_PATH' default='yes' type='string'><value><![CDATA[]]></value></option>
+  <option  id='DOTFILE_DIRS' default='yes' type='stringlist'>
+  </option>
+  <option  id='DIA_PATH' default='yes' type='string'><value><![CDATA[]]></value></option>
+  <option  id='DIAFILE_DIRS' default='yes' type='stringlist'>
+  </option>
+  <option  id='PLANTUML_JAR_PATH' default='yes' type='string'><value><![CDATA[]]></value></option>
+  <option  id='PLANTUML_CFG_FILE' default='yes' type='string'><value><![CDATA[]]></value></option>
+  <option  id='PLANTUML_INCLUDE_PATH' default='yes' type='stringlist'>
+  </option>
+  <option  id='PLANTUMLFILE_DIRS' default='yes' type='stringlist'>
+  </option>
+  <option  id='DOT_GRAPH_MAX_NODES' default='yes' type='int'><value>50</value></option>
+  <option  id='MAX_DOT_GRAPH_DEPTH' default='no' type='int'><value>3</value></option>
+  <option  id='DOT_MULTI_TARGETS' default='no' type='bool'><value>YES</value></option>
+  <option  id='GENERATE_LEGEND' default='yes' type='bool'><value>YES</value></option>
+  <option  id='DOT_CLEANUP' default='yes' type='bool'><value>YES</value></option>
+  <option  id='MSCGEN_TOOL' default='yes' type='string'><value><![CDATA[]]></value></option>
+  <option  id='MSCFILE_DIRS' default='yes' type='stringlist'>
+  </option>
+</doxyfile>
diff --git a/docs/cpp/xml/atom__typer_8cpp.xml b/docs/cpp/xml/atom__typer_8cpp.xml
index 72aac616..ea68bae9 100644
--- a/docs/cpp/xml/atom__typer_8cpp.xml
+++ b/docs/cpp/xml/atom__typer_8cpp.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="atom__typer_8cpp" kind="file" language="C++">
     <compoundname>atom_typer.cpp</compoundname>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
@@ -8,15 +8,6 @@
     <includes local="no">boost/lexical_cast.hpp</includes>
     <includes local="no">openbabel/elements.h</includes>
     <incdepgraph>
-      <node id="11">
-        <label>boost/algorithm/string.hpp</label>
-      </node>
-      <node id="9">
-        <label>functional</label>
-      </node>
-      <node id="12">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
       <node id="2">
         <label>libmolgrid/atom_typer.h</label>
         <link refid="atom__typer_8h"/>
@@ -35,24 +26,6 @@
         <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="5">
-        <label>vector</label>
-      </node>
-      <node id="10">
-        <label>openbabel/obiter.h</label>
-      </node>
-      <node id="4">
-        <label>openbabel/elements.h</label>
-      </node>
-      <node id="7">
-        <label>iostream</label>
-      </node>
-      <node id="8">
-        <label>unordered_map</label>
-      </node>
       <node id="1">
         <label>atom_typer.cpp</label>
         <link refid="atom__typer_8cpp"/>
@@ -67,13 +40,40 @@
         <childnode refid="4" relation="include">
         </childnode>
       </node>
+      <node id="11">
+        <label>boost/algorithm/string.hpp</label>
+      </node>
+      <node id="12">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="9">
+        <label>functional</label>
+      </node>
+      <node id="7">
+        <label>iostream</label>
+      </node>
       <node id="6">
         <label>memory</label>
       </node>
+      <node id="3">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="4">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="10">
+        <label>openbabel/obiter.h</label>
+      </node>
+      <node id="8">
+        <label>unordered_map</label>
+      </node>
+      <node id="5">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <innernamespace refid="namespaceOpenBabel">OpenBabel</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="atom__typer_8cpp_1a78330d529d08063ad8c2f846591bf62b" prot="public" static="no">
         <name>GET_SYMBOL</name>
         <initializer>OpenBabel::OBElements::GetSymbol</initializer>
@@ -83,7 +83,8 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="17" column="12" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="17" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="17" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="17" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" compoundref="atom__typer_8cpp" startline="80" endline="164">GninaIndexTyper::get_atom_type_index</referencedby>
       </memberdef>
       <memberdef kind="define" id="atom__typer_8cpp_1ad07fa1680b4c52f075ce19270399b935" prot="public" static="no">
         <name>GET_COVALENT_RAD</name>
@@ -94,7 +95,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="18" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="18" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="18" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="18" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670" compoundref="atom__typer_8cpp" startline="209" endline="214">ElementIndexTyper::get_atom_type_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb" compoundref="atom__typer_8cpp" startline="217" endline="221">ElementIndexTyper::get_int_type</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" compoundref="atom__typer_8cpp" startline="234" endline="242">ElementIndexTyper::get_type_radii</referencedby>
       </memberdef>
       <memberdef kind="define" id="atom__typer_8cpp_1af8bca12527bac4b474e2ccb5acd8691e" prot="public" static="no">
         <name>GET_NAME</name>
@@ -105,9 +109,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="19" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="19" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="19" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="19" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" compoundref="atom__typer_8cpp" startline="224" endline="231">ElementIndexTyper::get_type_names</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
@@ -145,7 +150,7 @@
 <codeline lineno="30"><highlight class="normal"></highlight></codeline>
 <codeline lineno="31"><highlight class="normal"></highlight><highlight class="comment">/**************<sp/><sp/>GninaIndexTyper<sp/><sp/>********************/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="32"><highlight class="normal"></highlight></codeline>
-<codeline lineno="33"><highlight class="normal"></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>GninaIndexTyper::info<sp/>GninaIndexTyper::default_data[GninaIndexTyper::NumTypes]<sp/>=<sp/>{<sp/></highlight><highlight class="comment">//el,<sp/>ad,<sp/>xs</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="33"><highlight class="normal"></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>GninaIndexTyper::info<sp/>GninaIndexTyper::default_data[<ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">GninaIndexTyper::NumTypes</ref>]<sp/>=<sp/>{<sp/></highlight><highlight class="comment">//el,<sp/>ad,<sp/>xs</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>{<sp/>Hydrogen,</highlight><highlight class="stringliteral">&quot;Hydrogen&quot;</highlight><highlight class="normal">,<sp/></highlight><highlight class="stringliteral">&quot;H&quot;</highlight><highlight class="normal">,<sp/>1,<sp/>1.000000,<sp/>0.020000,<sp/>0.000510,<sp/>0.000000,<sp/>0.370000,<sp/>0.37,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">},</highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/>{<sp/>PolarHydrogen,<sp/></highlight><highlight class="stringliteral">&quot;PolarHydrogen&quot;</highlight><highlight class="normal">,<sp/></highlight><highlight class="stringliteral">&quot;HD&quot;</highlight><highlight class="normal">,<sp/>1,<sp/>1.000000,<sp/>0.020000,<sp/>0.000510,<sp/>0.000000,<sp/>0.370000,<sp/>0.370000,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">},</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//note<sp/>we<sp/>typically<sp/>use<sp/>the<sp/>xs_radius,<sp/>which<sp/>assumes<sp/>a<sp/>heavy<sp/>atom-only<sp/>model</highlight><highlight class="normal"></highlight></codeline>
@@ -178,19 +183,19 @@
 <codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/>{<sp/>Boron,<sp/></highlight><highlight class="stringliteral">&quot;Boron&quot;</highlight><highlight class="normal">,<sp/></highlight><highlight class="stringliteral">&quot;B&quot;</highlight><highlight class="normal">,<sp/>5,<sp/>2.04,<sp/>0.180000,<sp/>-0.0011,<sp/>12.052,<sp/>0.90,<sp/>1.920000,<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">}</highlight></codeline>
 <codeline lineno="64"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="65"><highlight class="normal"></highlight></codeline>
-<codeline lineno="67" refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>GninaIndexTyper::num_types()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>NumTypes;</highlight></codeline>
+<codeline lineno="67" refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">GninaIndexTyper::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;</highlight></codeline>
 <codeline lineno="69"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="70"><highlight class="normal"></highlight></codeline>
-<codeline lineno="71" refid="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79" refkind="member"><highlight class="normal">std::string<sp/>GninaIndexTyper::gnina_type_name(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)<sp/>{</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>0<sp/>&amp;&amp;<sp/>t<sp/>&lt;<sp/>GninaIndexTyper::NumTypes)<sp/>{</highlight></codeline>
+<codeline lineno="71" refid="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79" refkind="member"><highlight class="normal">std::string<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79" kindref="member">GninaIndexTyper::gnina_type_name</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)<sp/>{</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>0<sp/>&amp;&amp;<sp/>t<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">GninaIndexTyper::NumTypes</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>default_data[t].smina_name;</highlight></codeline>
 <codeline lineno="74"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="stringliteral">&quot;Unsupported&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="76"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="77"><highlight class="normal"></highlight></codeline>
 <codeline lineno="78"><highlight class="normal"></highlight></codeline>
-<codeline lineno="80" refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/>GninaIndexTyper::get_atom_type_index(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="80" refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" kindref="member">GninaIndexTyper::get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="81"><highlight class="normal"></highlight></codeline>
 <codeline lineno="82"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//this<sp/>function<sp/>is<sp/>more<sp/>convoluted<sp/>than<sp/>it<sp/>needs<sp/>to<sp/>be<sp/>for<sp/>historical<sp/>reasons</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="83"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//and<sp/>a<sp/>general<sp/>fear<sp/>of<sp/>breaking<sp/>backwards<sp/>compatibility</highlight><highlight class="normal"></highlight></codeline>
@@ -231,8 +236,8 @@
 <codeline lineno="118"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="119"><highlight class="normal"></highlight></codeline>
 <codeline lineno="120"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//lookup<sp/>type<sp/>in<sp/>data<sp/>based<sp/>on<sp/>ename</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>GenericMetal;<sp/></highlight><highlight class="comment">//default<sp/>catchall<sp/>type</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumTypes;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dad89b17a8892a5bd6aac5579a777515e0" kindref="member">GenericMetal</ref>;<sp/></highlight><highlight class="comment">//default<sp/>catchall<sp/>type</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(data[i].adname<sp/>==<sp/>ename)<sp/>{</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>i;</highlight></codeline>
 <codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
@@ -240,31 +245,31 @@
 <codeline lineno="127"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="128"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//adjust<sp/>based<sp/>on<sp/>bonding</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="129"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">switch</highlight><highlight class="normal"><sp/>(ret)<sp/>{</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>AliphaticCarbonXSHydrophobe:<sp/></highlight><highlight class="comment">//<sp/>C_C_C_H,<sp/>//hydrophobic<sp/>according<sp/>to<sp/>xscale</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="131"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>AliphaticCarbonXSNonHydrophobe:<sp/></highlight><highlight class="comment">//C_C_C_P,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da1ea7ee189d41ec98ed6592d7e07cbe01" kindref="member">AliphaticCarbonXSHydrophobe</ref>:<sp/></highlight><highlight class="comment">//<sp/>C_C_C_H,<sp/>//hydrophobic<sp/>according<sp/>to<sp/>xscale</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da9b66ff931740ae4be675a9fa83f9c130" kindref="member">AliphaticCarbonXSNonHydrophobe</ref>:<sp/></highlight><highlight class="comment">//C_C_C_P,</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>heteroBonded<sp/>?</highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>AliphaticCarbonXSNonHydrophobe<sp/>:<sp/>AliphaticCarbonXSHydrophobe;</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da9b66ff931740ae4be675a9fa83f9c130" kindref="member">AliphaticCarbonXSNonHydrophobe</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da1ea7ee189d41ec98ed6592d7e07cbe01" kindref="member">AliphaticCarbonXSHydrophobe</ref>;</highlight></codeline>
 <codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>AromaticCarbonXSHydrophobe:<sp/></highlight><highlight class="comment">//C_A_C_H,</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>AromaticCarbonXSNonHydrophobe:<sp/></highlight><highlight class="comment">//C_A_C_P,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="135"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf3113296791638a80d64ba33c5fd4427" kindref="member">AromaticCarbonXSHydrophobe</ref>:<sp/></highlight><highlight class="comment">//C_A_C_H,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0bd3db5b7e161ee0ebb624494e30af85" kindref="member">AromaticCarbonXSNonHydrophobe</ref>:<sp/></highlight><highlight class="comment">//C_A_C_P,</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>heteroBonded<sp/>?</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>AromaticCarbonXSNonHydrophobe<sp/>:<sp/>AromaticCarbonXSHydrophobe;</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0bd3db5b7e161ee0ebb624494e30af85" kindref="member">AromaticCarbonXSNonHydrophobe</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf3113296791638a80d64ba33c5fd4427" kindref="member">AromaticCarbonXSHydrophobe</ref>;</highlight></codeline>
 <codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>NitrogenXSDonor:<sp/></highlight><highlight class="comment">//N_N_N_D,</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="141"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>Nitrogen:<sp/></highlight><highlight class="comment">//N_N_N_P,<sp/>no<sp/>hydrogen<sp/>bonding</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/>NitrogenXSDonor<sp/>:<sp/>Nitrogen;</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da6abe6c6a3e353efda94a61eec0bc6e1c" kindref="member">NitrogenXSDonor</ref>:<sp/></highlight><highlight class="comment">//N_N_N_D,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf766de68d927b08d86af09a7aadbe81b" kindref="member">Nitrogen</ref>:<sp/></highlight><highlight class="comment">//N_N_N_P,<sp/>no<sp/>hydrogen<sp/>bonding</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da6abe6c6a3e353efda94a61eec0bc6e1c" kindref="member">NitrogenXSDonor</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daf766de68d927b08d86af09a7aadbe81b" kindref="member">Nitrogen</ref>;</highlight></codeline>
 <codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>NitrogenXSDonorAcceptor:<sp/></highlight><highlight class="comment">//N_NA_N_DA,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>NitrogenXSAcceptor:<sp/></highlight><highlight class="comment">//N_NA_N_A,<sp/>also<sp/>considered<sp/>an<sp/>acceptor<sp/>by<sp/>autodock</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/>NitrogenXSDonorAcceptor<sp/>:<sp/>NitrogenXSAcceptor;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5739855eaaa648af57dc0188e3698743" kindref="member">NitrogenXSDonorAcceptor</ref>:<sp/></highlight><highlight class="comment">//N_NA_N_DA,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da99a9bbcbf26abb65fafcebd4ee38b1cc" kindref="member">NitrogenXSAcceptor</ref>:<sp/></highlight><highlight class="comment">//N_NA_N_A,<sp/>also<sp/>considered<sp/>an<sp/>acceptor<sp/>by<sp/>autodock</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5739855eaaa648af57dc0188e3698743" kindref="member">NitrogenXSDonorAcceptor</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da99a9bbcbf26abb65fafcebd4ee38b1cc" kindref="member">NitrogenXSAcceptor</ref>;</highlight></codeline>
 <codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="148"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>OxygenXSDonor:<sp/></highlight><highlight class="comment">//O_O_O_D,</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>Oxygen:<sp/></highlight><highlight class="comment">//O_O_O_P,</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/>OxygenXSDonor<sp/>:<sp/>Oxygen;</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae139a25d0b4fda3f0a87918043c19640" kindref="member">OxygenXSDonor</ref>:<sp/></highlight><highlight class="comment">//O_O_O_D,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae54b22e3be885eb43db3925118a89f02" kindref="member">Oxygen</ref>:<sp/></highlight><highlight class="comment">//O_O_O_P,</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae139a25d0b4fda3f0a87918043c19640" kindref="member">OxygenXSDonor</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dae54b22e3be885eb43db3925118a89f02" kindref="member">Oxygen</ref>;</highlight></codeline>
 <codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="152"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>OxygenXSDonorAcceptor:<sp/></highlight><highlight class="comment">//O_OA_O_DA,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/>OxygenXSAcceptor:<sp/></highlight><highlight class="comment">//O_OA_O_A,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/>OxygenXSDonorAcceptor<sp/>:<sp/>OxygenXSAcceptor;</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5a0891509ad2a1599770d76eac6f11b6" kindref="member">OxygenXSDonorAcceptor</ref>:<sp/></highlight><highlight class="comment">//O_OA_O_DA,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">case</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0de17bde588e82e1aed388dd71381026" kindref="member">OxygenXSAcceptor</ref>:<sp/></highlight><highlight class="comment">//O_OA_O_A,<sp/>also<sp/>an<sp/>autodock<sp/>acceptor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>Hbonded<sp/>?<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da5a0891509ad2a1599770d76eac6f11b6" kindref="member">OxygenXSDonorAcceptor</ref><sp/>:<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da0de17bde588e82e1aed388dd71381026" kindref="member">OxygenXSAcceptor</ref>;</highlight></codeline>
 <codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="156"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="157"><highlight class="normal"></highlight></codeline>
@@ -277,9 +282,9 @@
 <codeline lineno="164"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="165"><highlight class="normal"></highlight></codeline>
 <codeline lineno="166"><highlight class="normal"></highlight><highlight class="comment">//look<sp/>up<sp/>radius<sp/>for<sp/>passed<sp/>type</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="167" refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969" refkind="member"><highlight class="normal">pair&lt;int,float&gt;<sp/>GninaIndexTyper::get_int_type(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>GenericMetal;</highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&lt;<sp/>NumTypes)<sp/>{</highlight></codeline>
+<codeline lineno="167" refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969" refkind="member"><highlight class="normal">pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969" kindref="member">GninaIndexTyper::get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dad89b17a8892a5bd6aac5579a777515e0" kindref="member">GenericMetal</ref>;</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="170"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>=<sp/>t;</highlight></codeline>
 <codeline lineno="171"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="172"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(use_covalent)<sp/>{</highlight></codeline>
@@ -290,18 +295,18 @@
 <codeline lineno="177"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="178"><highlight class="normal"></highlight></codeline>
 <codeline lineno="179"><highlight class="normal"></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="180" refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/>GninaIndexTyper::get_type_names()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>ret;<sp/>ret.reserve(NumTypes);</highlight></codeline>
-<codeline lineno="182"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumTypes;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="180" refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">GninaIndexTyper::get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>ret;<sp/>ret.reserve(<ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>);</highlight></codeline>
+<codeline lineno="182"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.push_back(data[i].smina_name);</highlight></codeline>
 <codeline lineno="184"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="185"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
 <codeline lineno="186"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="187"><highlight class="normal"></highlight></codeline>
 <codeline lineno="188"><highlight class="normal"></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>atomic<sp/>radii</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="189" refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" refkind="member"><highlight class="normal">std::vector&lt;float&gt;<sp/>GninaIndexTyper::get_type_radii()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="190"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>ret;<sp/>ret.reserve(NumTypes);</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumTypes;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="189" refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" refkind="member"><highlight class="normal">std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" kindref="member">GninaIndexTyper::get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="190"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>ret;<sp/>ret.reserve(<ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>);</highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2daac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(use_covalent)<sp/>{</highlight></codeline>
 <codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.push_back(data[i].covalent_radius);</highlight></codeline>
 <codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
@@ -313,11 +318,11 @@
 <codeline lineno="200"><highlight class="normal"></highlight></codeline>
 <codeline lineno="201"><highlight class="normal"></highlight><highlight class="comment">/**************<sp/>Element<sp/>IndexTyper<sp/><sp/>********************/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="202"><highlight class="normal"></highlight></codeline>
-<codeline lineno="204" refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ElementIndexTyper::num_types()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="204" refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">ElementIndexTyper::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="205"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>last_elem;</highlight></codeline>
 <codeline lineno="206"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="207"><highlight class="normal"></highlight></codeline>
-<codeline lineno="209" refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/>ElementIndexTyper::get_atom_type_index(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="209" refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670" kindref="member">ElementIndexTyper::get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="210"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>elem<sp/>=<sp/>a-&gt;GetAtomicNum();</highlight></codeline>
 <codeline lineno="211"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/><ref refid="atom__typer_8cpp_1ad07fa1680b4c52f075ce19270399b935" kindref="member">GET_COVALENT_RAD</ref>(elem);</highlight></codeline>
 <codeline lineno="212"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(elem<sp/>&gt;=<sp/>last_elem)<sp/>elem<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//truncate</highlight><highlight class="normal"></highlight></codeline>
@@ -325,14 +330,14 @@
 <codeline lineno="214"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="215"><highlight class="normal"></highlight></codeline>
 <codeline lineno="216"><highlight class="normal"></highlight><highlight class="comment">//return<sp/>element<sp/>with<sp/>radius</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="217" refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/>ElementIndexTyper::get_int_type(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>elem)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="217" refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb" refkind="member"><highlight class="normal">std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb" kindref="member">ElementIndexTyper::get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>elem)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="218"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/><ref refid="atom__typer_8cpp_1ad07fa1680b4c52f075ce19270399b935" kindref="member">GET_COVALENT_RAD</ref>(elem);</highlight></codeline>
 <codeline lineno="219"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(elem<sp/>&gt;=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)last_elem)<sp/>elem<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//truncate</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="220"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_pair((</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)elem,radius);</highlight></codeline>
 <codeline lineno="221"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="222"><highlight class="normal"></highlight></codeline>
 <codeline lineno="223"><highlight class="normal"></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="224" refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/>ElementIndexTyper::get_type_names()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="224" refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">ElementIndexTyper::get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="225"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>ret;<sp/>ret.reserve(last_elem);</highlight></codeline>
 <codeline lineno="226"><highlight class="normal"><sp/><sp/>ret.push_back(</highlight><highlight class="stringliteral">&quot;GenericAtom&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="227"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1;<sp/>i<sp/>&lt;<sp/>last_elem;<sp/>i++)<sp/>{</highlight></codeline>
@@ -342,7 +347,7 @@
 <codeline lineno="231"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="232"><highlight class="normal"></highlight></codeline>
 <codeline lineno="233"><highlight class="normal"></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>atomic<sp/>radii</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="234" refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" refkind="member"><highlight class="normal">std::vector&lt;float&gt;<sp/>ElementIndexTyper::get_type_radii()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="234" refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" refkind="member"><highlight class="normal">std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" kindref="member">ElementIndexTyper::get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="235"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>ret;<sp/>ret.reserve(last_elem+1);</highlight></codeline>
 <codeline lineno="236"><highlight class="normal"><sp/><sp/>ret.push_back(0);</highlight></codeline>
 <codeline lineno="237"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1;<sp/>i<sp/>&lt;<sp/>last_elem;<sp/>i++)<sp/>{</highlight></codeline>
@@ -354,7 +359,7 @@
 <codeline lineno="243"><highlight class="normal"></highlight></codeline>
 <codeline lineno="244"><highlight class="normal"></highlight></codeline>
 <codeline lineno="245"><highlight class="normal"></highlight><highlight class="comment">//safely<sp/>set<sp/>type_names<sp/>from<sp/>names,<sp/>even<sp/>if<sp/>some<sp/>are<sp/>missing<sp/>(use<sp/>indices<sp/>in<sp/>that<sp/>case)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="246" refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>AtomIndexTyper::set_names(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>std::vector&lt;std::string&gt;&amp;<sp/>type_names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names)<sp/>{</highlight></codeline>
+<codeline lineno="246" refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" kindref="member">AtomIndexTyper::set_names</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>std::vector&lt;std::string&gt;&amp;<sp/>type_names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names)<sp/>{</highlight></codeline>
 <codeline lineno="247"><highlight class="normal"><sp/><sp/>type_names.clear();</highlight></codeline>
 <codeline lineno="248"><highlight class="normal"><sp/><sp/>type_names.reserve(ntypes);</highlight></codeline>
 <codeline lineno="249"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>ntypes;<sp/>i++)<sp/>{</highlight></codeline>
@@ -365,7 +370,7 @@
 <codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="255"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="256"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="257" refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" refkind="member"><highlight class="normal">CallbackIndexTyper::CallbackIndexTyper(<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref><sp/>f,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names):<sp/>callback(f)<sp/>{</highlight></codeline>
+<codeline lineno="257" refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" kindref="member">CallbackIndexTyper::CallbackIndexTyper</ref>(<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref><sp/>f,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names):<sp/>callback(f)<sp/>{</highlight></codeline>
 <codeline lineno="258"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//setup<sp/>names</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="259"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" kindref="member">set_names</ref>(ntypes,<sp/>type_names,<sp/>names);</highlight></codeline>
 <codeline lineno="260"><highlight class="normal">}</highlight></codeline>
@@ -403,15 +408,15 @@
 <codeline lineno="292"><highlight class="normal"><sp/><sp/></highlight><highlight class="stringliteral">&quot;OB_partialcharge&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="293"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="294"><highlight class="normal"></highlight></codeline>
-<codeline lineno="296" refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">GninaVectorTyper::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="296" refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">GninaVectorTyper::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="297"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//there&apos;s<sp/>the<sp/>supported<sp/>gnina<sp/>elements<sp/>plus<sp/>the<sp/>properties</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="298"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>ad_depth,<sp/>ad_solvation,<sp/>ad_volume,<sp/>xs_hydrophobe,<sp/>xs_donor,<sp/>xs_acceptor,<sp/>ad_heteroatom</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="299"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;</highlight></codeline>
 <codeline lineno="300"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="301"><highlight class="normal"></highlight></codeline>
-<codeline lineno="303" refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" refkind="member"><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" kindref="member">GninaVectorTyper::get_atom_type_vector</ref>(OpenBabel::OBAtom*<sp/>a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="303" refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" kindref="member">GninaVectorTyper::get_atom_type_vector</ref>(OpenBabel::OBAtom*<sp/>a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="304"><highlight class="normal"><sp/><sp/>typ.assign(<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>,<sp/>0);</highlight></codeline>
-<codeline lineno="305"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>ityper.<ref refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" kindref="member">get_atom_type_index</ref>(a);</highlight></codeline>
+<codeline lineno="305"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>ityper.get_atom_type_index(a);</highlight></codeline>
 <codeline lineno="306"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>t_r.first;</highlight></codeline>
 <codeline lineno="307"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>t_r.second;</highlight></codeline>
 <codeline lineno="308"><highlight class="normal"></highlight></codeline>
@@ -487,7 +492,7 @@
 <codeline lineno="378"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//set<sp/>one-hot<sp/>element</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="379"><highlight class="normal"><sp/><sp/>typ[elemtyp]<sp/>=<sp/>1.0;</highlight></codeline>
 <codeline lineno="380"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//set<sp/>properties</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="381"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">GninaIndexTyper::info</ref>&amp;<sp/>info<sp/>=<sp/>ityper.<ref refid="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" kindref="member">get_info</ref>(t);</highlight></codeline>
+<codeline lineno="381"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">GninaIndexTyper::info</ref>&amp;<sp/>info<sp/>=<sp/>ityper.get_info(t);</highlight></codeline>
 <codeline lineno="382"><highlight class="normal"><sp/><sp/>typ[<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a66071ce81eacf279caeb6181d2b4af77" kindref="member">AD_depth</ref>]<sp/>=<sp/>info.<ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af504cf271d0020317ec1cf9a219a36aa" kindref="member">ad_depth</ref>;</highlight></codeline>
 <codeline lineno="383"><highlight class="normal"><sp/><sp/>typ[<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a94dadc9171990acbc734ebc7b964c24e" kindref="member">AD_solvation</ref>]<sp/>=<sp/>info.<ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af030eefb3668c4bf6c51e0184bc9652f" kindref="member">ad_solvation</ref>;</highlight></codeline>
 <codeline lineno="384"><highlight class="normal"><sp/><sp/>typ[<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae946596d3b2f7916326449e286a24d86" kindref="member">AD_volume</ref>]<sp/>=<sp/>info.<ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad47f54e927cd62d42d78ffba9047cf92" kindref="member">ad_volume</ref>;</highlight></codeline>
@@ -503,7 +508,7 @@
 <codeline lineno="395" refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" refkind="member"><highlight class="normal">std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" kindref="member">GninaVectorTyper::get_vector_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="396"><highlight class="normal"><sp/><sp/>std::vector&lt;float&gt;<sp/>ret;</highlight></codeline>
 <codeline lineno="397"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aac64c8922ff64ae0d88ad358421d026f" kindref="member">NumTypes</ref>;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="398"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">GninaIndexTyper::info</ref>&amp;<sp/>info<sp/>=<sp/>ityper.<ref refid="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" kindref="member">get_info</ref>(i);</highlight></codeline>
+<codeline lineno="398"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">GninaIndexTyper::info</ref>&amp;<sp/>info<sp/>=<sp/>ityper.get_info(i);</highlight></codeline>
 <codeline lineno="399"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.push_back(info.<ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a71b62833de40e93190610ebdd26df937" kindref="member">xs_radius</ref>);</highlight></codeline>
 <codeline lineno="400"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="401"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
@@ -523,7 +528,7 @@
 <codeline lineno="415"><highlight class="normal"></highlight></codeline>
 <codeline lineno="416"><highlight class="normal"></highlight><highlight class="comment">/***********<sp/>FileAtomMapper<sp/>*****************/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="417"><highlight class="normal"></highlight></codeline>
-<codeline lineno="419"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>FileAtomMapper::setup(std::istream&amp;<sp/>in)<sp/>{</highlight></codeline>
+<codeline lineno="419"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>FileAtomMapper::setup(std::istream&amp;<sp/>in)<sp/>{</highlight></codeline>
 <codeline lineno="420"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">boost::algorithm;</highlight></codeline>
 <codeline lineno="421"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//first<sp/>create<sp/>reverse<sp/>map<sp/>from<sp/>old<sp/>names<sp/>to<sp/>old<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="422"><highlight class="normal"><sp/><sp/>unordered_map&lt;string,<sp/>int&gt;<sp/>old_name_to_old_type;</highlight></codeline>
@@ -574,7 +579,7 @@
 <codeline lineno="467"><highlight class="normal"><sp/><sp/>setup(in);</highlight></codeline>
 <codeline lineno="468"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="469"><highlight class="normal"></highlight></codeline>
-<codeline lineno="471" refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" refkind="member"><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">FileAtomMapper::get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="471" refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">FileAtomMapper::get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="472"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(origt<sp/>&lt;<sp/>old_type_to_new_type.size())<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>old_type_to_new_type[origt];</highlight></codeline>
 <codeline lineno="473"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>-1;</highlight></codeline>
 <codeline lineno="474"><highlight class="normal">}</highlight></codeline>
@@ -625,17 +630,17 @@
 <codeline lineno="520"><highlight class="normal"></highlight></codeline>
 <codeline lineno="521"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="522"><highlight class="normal"></highlight></codeline>
-<codeline lineno="524" refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" refkind="member"><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">SubsetAtomMapper::get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="524" refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">SubsetAtomMapper::get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="525"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(old2new.count(origt))<sp/>{</highlight></codeline>
 <codeline lineno="526"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>old2new.at(origt);</highlight></codeline>
 <codeline lineno="527"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="528"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>default_type;</highlight></codeline>
 <codeline lineno="529"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="530"><highlight class="normal"></highlight></codeline>
-<codeline lineno="531"><highlight class="normal"></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>stringstream<sp/><ref refid="namespacelibmolgrid_1abc1c852c354f940bb6726454a18083e2" kindref="member">recmap</ref>(R</highlight><highlight class="stringliteral">&quot;(AliphaticCarbonXSHydrophobe<sp/></highlight></codeline>
-<codeline lineno="532"><highlight class="stringliteral">AliphaticCarbonXSNonHydrophobe<sp/></highlight></codeline>
-<codeline lineno="533"><highlight class="stringliteral">AromaticCarbonXSHydrophobe<sp/></highlight></codeline>
-<codeline lineno="534"><highlight class="stringliteral">AromaticCarbonXSNonHydrophobe</highlight></codeline>
+<codeline lineno="531" refid="namespacelibmolgrid_1aff4655df2b84d9e5b88b5adf4b6ffcdf" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>stringstream<sp/><ref refid="namespacelibmolgrid_1aff4655df2b84d9e5b88b5adf4b6ffcdf" kindref="member">recmap</ref>(R</highlight><highlight class="stringliteral">&quot;(AliphaticCarbonXSHydrophobe<sp/></highlight></codeline>
+<codeline lineno="532" refid="namespacelibmolgrid_1a8ba25dc257868ac32850cf9152867f3b" refkind="member"><highlight class="stringliteral">AliphaticCarbonXSNonHydrophobe<sp/></highlight></codeline>
+<codeline lineno="533" refid="namespacelibmolgrid_1a3806f5ca85851e06d45c8ab0c3ee4e68" refkind="member"><highlight class="stringliteral">AromaticCarbonXSHydrophobe<sp/></highlight></codeline>
+<codeline lineno="534" refid="namespacelibmolgrid_1a1a136d9c99791a14bd2779e6dce9bb6a" refkind="member"><highlight class="stringliteral">AromaticCarbonXSNonHydrophobe</highlight></codeline>
 <codeline lineno="535"><highlight class="stringliteral">Bromine<sp/>Iodine<sp/>Chlorine<sp/>Fluorine</highlight></codeline>
 <codeline lineno="536"><highlight class="stringliteral">Nitrogen<sp/>NitrogenXSAcceptor<sp/></highlight></codeline>
 <codeline lineno="537"><highlight class="stringliteral">NitrogenXSDonor<sp/>NitrogenXSDonorAcceptor</highlight></codeline>
@@ -647,7 +652,7 @@
 <codeline lineno="543"><highlight class="stringliteral">Zinc</highlight></codeline>
 <codeline lineno="544"><highlight class="stringliteral">GenericMetal<sp/>Boron<sp/>Manganese<sp/>Magnesium<sp/>Iron</highlight></codeline>
 <codeline lineno="545"><highlight class="stringliteral">)&quot;);</highlight></codeline>
-<codeline lineno="546"><highlight class="stringliteral"></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>stringstream<sp/><ref refid="namespacelibmolgrid_1ab32fe62f692f6c16ba65f9586408e444" kindref="member">ligmap</ref>(R</highlight><highlight class="stringliteral">&quot;(AliphaticCarbonXSHydrophobe<sp/></highlight></codeline>
+<codeline lineno="546"><highlight class="stringliteral"></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>stringstream<sp/><ref refid="namespacelibmolgrid_1a8ba25dc257868ac32850cf9152867f3b" kindref="member">ligmap</ref>(R</highlight><highlight class="stringliteral">&quot;(AliphaticCarbonXSHydrophobe<sp/></highlight></codeline>
 <codeline lineno="547"><highlight class="stringliteral">AliphaticCarbonXSNonHydrophobe<sp/></highlight></codeline>
 <codeline lineno="548"><highlight class="stringliteral">AromaticCarbonXSHydrophobe<sp/></highlight></codeline>
 <codeline lineno="549"><highlight class="stringliteral">AromaticCarbonXSNonHydrophobe</highlight></codeline>
@@ -662,11 +667,11 @@
 <codeline lineno="558"><highlight class="stringliteral">Phosphorus</highlight></codeline>
 <codeline lineno="559"><highlight class="stringliteral">GenericMetal<sp/>Boron<sp/>Manganese<sp/>Magnesium<sp/>Zinc<sp/>Calcium<sp/>Iron</highlight></codeline>
 <codeline lineno="560"><highlight class="stringliteral">)&quot;);</highlight></codeline>
-<codeline lineno="561"><highlight class="stringliteral"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/><ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>(<ref refid="namespacelibmolgrid_1abc1c852c354f940bb6726454a18083e2" kindref="member">recmap</ref>);</highlight></codeline>
-<codeline lineno="562"><highlight class="stringliteral"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>(<ref refid="namespacelibmolgrid_1ab32fe62f692f6c16ba65f9586408e444" kindref="member">ligmap</ref>);</highlight></codeline>
+<codeline lineno="561"><highlight class="stringliteral"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/><ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>(<ref refid="namespacelibmolgrid_1aff4655df2b84d9e5b88b5adf4b6ffcdf" kindref="member">recmap</ref>);</highlight></codeline>
+<codeline lineno="562"><highlight class="stringliteral"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>(<ref refid="namespacelibmolgrid_1a8ba25dc257868ac32850cf9152867f3b" kindref="member">ligmap</ref>);</highlight></codeline>
 <codeline lineno="563"><highlight class="stringliteral"></highlight></codeline>
 <codeline lineno="564"><highlight class="stringliteral">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/atom__typer_8h.xml b/docs/cpp/xml/atom__typer_8h.xml
index b6fbcc6c..c990f6a2 100644
--- a/docs/cpp/xml/atom__typer_8h.xml
+++ b/docs/cpp/xml/atom__typer_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="atom__typer_8h" kind="file" language="C++">
     <compoundname>atom_typer.h</compoundname>
     <includes local="no">openbabel/atom.h</includes>
@@ -9,16 +9,13 @@
     <includes local="no">iostream</includes>
     <includes local="no">unordered_map</includes>
     <includes local="no">functional</includes>
-    <includedby refid="coord__cache_8h" local="yes">coord_cache.h</includedby>
     <includedby refid="atom__typer_8cpp" local="yes">atom_typer.cpp</includedby>
+    <includedby refid="coord__cache_8h" local="yes">coord_cache.h</includedby>
     <includedby refid="coordinateset_8cpp" local="yes">coordinateset.cpp</includedby>
     <includedby refid="example__dataset_8cpp" local="yes">example_dataset.cpp</includedby>
     <includedby refid="example__extractor_8cpp" local="yes">example_extractor.cpp</includedby>
     <includedby refid="example__provider_8cpp" local="yes">example_provider.cpp</includedby>
     <incdepgraph>
-      <node id="8">
-        <label>functional</label>
-      </node>
       <node id="1">
         <label>atom_typer.h</label>
         <link refid="atom__typer_8h"/>
@@ -37,85 +34,80 @@
         <childnode refid="8" relation="include">
         </childnode>
       </node>
+      <node id="8">
+        <label>functional</label>
+      </node>
+      <node id="6">
+        <label>iostream</label>
+      </node>
+      <node id="5">
+        <label>memory</label>
+      </node>
       <node id="2">
         <label>openbabel/atom.h</label>
       </node>
-      <node id="4">
-        <label>vector</label>
-      </node>
       <node id="3">
         <label>openbabel/elements.h</label>
       </node>
-      <node id="6">
-        <label>iostream</label>
-      </node>
       <node id="7">
         <label>unordered_map</label>
       </node>
-      <node id="5">
-        <label>memory</label>
+      <node id="4">
+        <label>vector</label>
       </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="3">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="4" relation="include">
+      <node id="1">
+        <label>atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
       </node>
-      <node id="8">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="2">
+      <node id="3">
         <label>coord_cache.h</label>
         <link refid="coord__cache_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="4">
+      <node id="6">
         <label>example_dataset.h</label>
         <link refid="example__dataset_8h"/>
-        <childnode refid="5" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
       </node>
-      <node id="1">
-        <label>atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
+      <node id="5">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="6">
+      <node id="9">
         <label>example_provider.h</label>
         <link refid="example__provider_8h"/>
-        <childnode refid="7" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
       </node>
-      <node id="10">
+      <node id="2">
         <label>atom_typer.cpp</label>
         <link refid="atom__typer_8cpp"/>
       </node>
-      <node id="7">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="9">
+      <node id="4">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
@@ -123,10 +115,18 @@
         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
       </node>
-      <node id="5">
+      <node id="7">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="8">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="10">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1AtomTyper" prot="public">libmolgrid::AtomTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1AtomIndexTyper" prot="public">libmolgrid::AtomIndexTyper</innerclass>
@@ -154,8 +154,9 @@
 <para>Created on: Feb 27, 2019 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="9"><highlight class="preprocessor">#ifndef<sp/>ATOMTYPER_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>ATOMTYPER_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>ATOMTYPER_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/atom.h&gt;</highlight><highlight class="normal"></highlight></codeline>
@@ -170,8 +171,8 @@
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
 <codeline lineno="22"><highlight class="normal"></highlight><highlight class="comment">/*****<sp/>Base<sp/>classes<sp/>**********/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
-<codeline lineno="24"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_AtomTyper</highlight></codeline>
-<codeline lineno="26" refid="classlibmolgrid_1_1AtomTyper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_AtomTyper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26" refid="classlibmolgrid_1_1AtomTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" kindref="member">AtomTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="28" refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" kindref="member">AtomTyper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="29" refid="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" kindref="member">~AtomTyper</ref>()<sp/>{}</highlight></codeline>
@@ -180,29 +181,29 @@
 <codeline lineno="32" refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Base<sp/>class<sp/>AtomTyper<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/><sp/>}</highlight></codeline>
 <codeline lineno="33"><highlight class="normal"></highlight></codeline>
 <codeline lineno="34" refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674" kindref="member">get_atom_type_vector</ref>(OpenBabel::OBAtom<sp/>*a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Unimplemented<sp/>atom<sp/>typing<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
-<codeline lineno="35" refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Unimplemented<sp/>atom<sp/>typing<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
-<codeline lineno="36" refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Unimplemented<sp/>atom<sp/>typing<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
+<codeline lineno="35" refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Unimplemented<sp/>atom<sp/>typing<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
+<codeline lineno="36" refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Unimplemented<sp/>atom<sp/>typing<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
 <codeline lineno="37"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38" refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Base<sp/>class<sp/>AtomTyper<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
+<codeline lineno="38" refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Base<sp/>class<sp/>AtomTyper<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
 <codeline lineno="39" refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5" kindref="member">is_vector_typer</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Base<sp/>class<sp/>AtomTyper<sp/>function<sp/>called&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
 <codeline lineno="40"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"></highlight></codeline>
-<codeline lineno="43" refid="classlibmolgrid_1_1AtomIndexTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="43" refid="classlibmolgrid_1_1AtomIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" kindref="member">AtomTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="44"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="45" refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="46" refid="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a" kindref="member">~AtomIndexTyper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="47"><highlight class="normal"></highlight></codeline>
-<codeline lineno="49"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="49" refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="50"><highlight class="normal"></highlight></codeline>
 <codeline lineno="51" refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" kindref="member">get_atom_type_vector</ref>(OpenBabel::OBAtom<sp/>*a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">final</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Vector<sp/>typing<sp/>called<sp/>in<sp/>index<sp/>typer&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
 <codeline lineno="52"><highlight class="normal"></highlight></codeline>
-<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="54" refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="55"><highlight class="normal"></highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="58" refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"></highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="62" refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"></highlight></codeline>
-<codeline lineno="65" refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>(),<sp/>1.0);<sp/>}</highlight></codeline>
+<codeline lineno="65" refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>(),<sp/>1.0);<sp/>}</highlight></codeline>
 <codeline lineno="66"><highlight class="normal"></highlight></codeline>
 <codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" kindref="member">set_names</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>std::vector&lt;std::string&gt;&amp;<sp/>type_names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names);</highlight></codeline>
 <codeline lineno="68"><highlight class="normal"></highlight></codeline>
@@ -211,28 +212,28 @@
 <codeline lineno="71"><highlight class="normal"></highlight></codeline>
 <codeline lineno="72"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75" refid="classlibmolgrid_1_1AtomVectorTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomVectorTyper" kindref="compound">AtomVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="75" refid="classlibmolgrid_1_1AtomVectorTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" kindref="member">AtomVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" kindref="member">AtomTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="76"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="77" refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" kindref="member">AtomVectorTyper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="78" refid="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312" kindref="member">~AtomVectorTyper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="79"><highlight class="normal"></highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="81" refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="82"><highlight class="normal"></highlight></codeline>
-<codeline lineno="83" refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">final</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Index<sp/>typer<sp/>called<sp/>in<sp/>vector<sp/>typer&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
+<codeline lineno="83" refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom<sp/>*a)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">final</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::logic_error(</highlight><highlight class="stringliteral">&quot;Index<sp/>typer<sp/>called<sp/>in<sp/>vector<sp/>typer&quot;</highlight><highlight class="normal">);<sp/>}</highlight></codeline>
 <codeline lineno="84"><highlight class="normal"></highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" kindref="member">get_atom_type_vector</ref>(OpenBabel::OBAtom<sp/>*a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="86" refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" kindref="member">get_atom_type_vector</ref>(OpenBabel::OBAtom<sp/>*a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="87"><highlight class="normal"></highlight></codeline>
-<codeline lineno="89" refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" kindref="member">get_vector_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>(),<sp/>1.0);<sp/>}</highlight></codeline>
+<codeline lineno="89" refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" kindref="member">get_vector_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" kindref="member">num_types</ref>(),<sp/>1.0);<sp/>}</highlight></codeline>
 <codeline lineno="90"><highlight class="normal"></highlight></codeline>
 <codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//this<sp/>isn&apos;t<sp/>expected<sp/>to<sp/>be<sp/>particularly<sp/>efficient</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="93" refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="94" refid="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" kindref="member">is_vector_typer</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;<sp/>};</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"></highlight></codeline>
 <codeline lineno="96"><highlight class="normal"></highlight></codeline>
 <codeline lineno="97"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="98"><highlight class="normal"></highlight></codeline>
-<codeline lineno="100" refid="classlibmolgrid_1_1AtomIndexTypeMapper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper" kindref="compound">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
+<codeline lineno="100" refid="classlibmolgrid_1_1AtomIndexTypeMapper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" kindref="member">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
 <codeline lineno="101"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="102" refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" kindref="member">AtomIndexTypeMapper</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="103" refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359" kindref="member">~AtomIndexTypeMapper</ref>()<sp/>{}</highlight></codeline>
@@ -241,14 +242,14 @@
 <codeline lineno="107"><highlight class="normal"></highlight></codeline>
 <codeline lineno="109" refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6" kindref="member">get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>origt;<sp/>}</highlight></codeline>
 <codeline lineno="110"><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="112" refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="113"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="114"><highlight class="normal"></highlight></codeline>
 <codeline lineno="115"><highlight class="normal"></highlight></codeline>
 <codeline lineno="116"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GninaIndexTyper</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="117"><highlight class="normal"></highlight><highlight class="comment">/***********<sp/>Atom<sp/>typers<sp/>*****************/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="118"><highlight class="normal"></highlight></codeline>
-<codeline lineno="122" refid="classlibmolgrid_1_1GninaIndexTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="122" refid="classlibmolgrid_1_1GninaIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a683729a67c4252fdfa71f23d0810a7ab" kindref="member">GninaIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="123"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"></highlight></codeline>
 <codeline lineno="125" refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">enum</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d" kindref="member">type</ref><sp/>{</highlight></codeline>
@@ -322,13 +323,13 @@
 <codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" kindref="member">get_type_radii</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="203"><highlight class="normal"></highlight></codeline>
 <codeline lineno="204"><highlight class="normal"></highlight></codeline>
-<codeline lineno="206" refid="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">info</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" kindref="member">get_info</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>data[t];<sp/>}</highlight></codeline>
+<codeline lineno="206" refid="classlibmolgrid_1_1GninaIndexTyper_1a6755f887a9122d385f57889088b6daa2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">info</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a6755f887a9122d385f57889088b6daa2" kindref="member">get_info</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>data[t];<sp/>}</highlight></codeline>
 <codeline lineno="207"><highlight class="normal"></highlight></codeline>
 <codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79" kindref="member">gnina_type_name</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t);</highlight></codeline>
 <codeline lineno="210"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="211"><highlight class="normal"></highlight></codeline>
-<codeline lineno="212"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_ElementIndexTyper</highlight></codeline>
-<codeline lineno="220" refid="classlibmolgrid_1_1ElementIndexTyper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="212"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_ElementIndexTyper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="220" refid="classlibmolgrid_1_1ElementIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ElementIndexTyper_1ab9328295821875303f26d9c4774a931e" kindref="member">ElementIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>last_elem;</highlight></codeline>
 <codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>default_radius<sp/>=<sp/>1.6;</highlight></codeline>
 <codeline lineno="223"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
@@ -347,8 +348,8 @@
 <codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" kindref="member">get_type_radii</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="241"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="242"><highlight class="normal"></highlight></codeline>
-<codeline lineno="243"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_NullIndexTyper</highlight></codeline>
-<codeline lineno="246" refid="classlibmolgrid_1_1NullIndexTyper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1NullIndexTyper" kindref="compound">NullIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="243"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_NullIndexTyper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="246" refid="classlibmolgrid_1_1NullIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e" kindref="member">NullIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="247"><highlight class="normal"></highlight></codeline>
 <codeline lineno="248"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="249" refid="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e" kindref="member">NullIndexTyper</ref>()<sp/>{}</highlight></codeline>
@@ -356,19 +357,19 @@
 <codeline lineno="251"><highlight class="normal"></highlight></codeline>
 <codeline lineno="253" refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;<sp/>}</highlight></codeline>
 <codeline lineno="254"><highlight class="normal"></highlight></codeline>
-<codeline lineno="256" refid="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::make_pair(-1,0.0f);<sp/>}</highlight></codeline>
+<codeline lineno="256" refid="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::make_pair(-1,0.0f);<sp/>}</highlight></codeline>
 <codeline lineno="257"><highlight class="normal"></highlight></codeline>
-<codeline lineno="259" refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::make_pair(-1,0.0f);}</highlight></codeline>
+<codeline lineno="259" refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::make_pair(-1,0.0f);}</highlight></codeline>
 <codeline lineno="260"><highlight class="normal"></highlight></codeline>
 <codeline lineno="261"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="262" refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;();<sp/>}</highlight></codeline>
+<codeline lineno="262" refid="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;();<sp/>}</highlight></codeline>
 <codeline lineno="263"><highlight class="normal"></highlight></codeline>
-<codeline lineno="265" refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;();<sp/>}</highlight></codeline>
+<codeline lineno="265" refid="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;();<sp/>}</highlight></codeline>
 <codeline lineno="266"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="267"><highlight class="normal"></highlight></codeline>
-<codeline lineno="271" refid="classlibmolgrid_1_1CallbackIndexTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackIndexTyper" kindref="compound">CallbackIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="271" refid="classlibmolgrid_1_1CallbackIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" kindref="member">CallbackIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="272"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="273" refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref><sp/>=<sp/>std::function&lt;std::pair&lt;int,float&gt;(OpenBabel::OBAtom*<sp/>a)&gt;;</highlight></codeline>
+<codeline lineno="273" refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref><sp/>=<sp/>std::function&lt;std::pair&lt;int,float&gt;(OpenBabel::OBAtom*<sp/>a)&gt;;</highlight></codeline>
 <codeline lineno="274"><highlight class="normal"></highlight></codeline>
 <codeline lineno="275"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">private</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="276"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref><sp/>callback<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
@@ -381,7 +382,7 @@
 <codeline lineno="284"><highlight class="normal"></highlight></codeline>
 <codeline lineno="286" refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>type_names.size();<sp/>}</highlight></codeline>
 <codeline lineno="287"><highlight class="normal"></highlight></codeline>
-<codeline lineno="289" refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="289" refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>callback(a);</highlight></codeline>
 <codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//don&apos;t<sp/>allow<sp/>out<sp/>of<sp/>range<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ret.first<sp/>&gt;=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>())<sp/>ret.first<sp/>=<sp/>-1;</highlight></codeline>
@@ -389,22 +390,22 @@
 <codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="295"><highlight class="normal"></highlight></codeline>
 <codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//callbacks<sp/>are<sp/>really<sp/>only<sp/>for<sp/>obatom<sp/>typing</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="297" refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="297" refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>())<sp/>t<sp/>=<sp/>-1;</highlight></codeline>
 <codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::make_pair(t,<sp/>default_radius);</highlight></codeline>
 <codeline lineno="300"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="301"><highlight class="normal"></highlight></codeline>
 <codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="303" refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>type_names;<sp/>}</highlight></codeline>
+<codeline lineno="303" refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>type_names;<sp/>}</highlight></codeline>
 <codeline lineno="304"><highlight class="normal"></highlight></codeline>
-<codeline lineno="305" refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>(),<sp/>default_radius);<sp/>}</highlight></codeline>
+<codeline lineno="305" refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;(<ref refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" kindref="member">num_types</ref>(),<sp/>default_radius);<sp/>}</highlight></codeline>
 <codeline lineno="306"><highlight class="normal"></highlight></codeline>
 <codeline lineno="307"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="308"><highlight class="normal"></highlight></codeline>
 <codeline lineno="309"><highlight class="normal"></highlight></codeline>
 <codeline lineno="310"><highlight class="normal"></highlight></codeline>
-<codeline lineno="314"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Mapper,<sp/></highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Typer&gt;</highlight></codeline>
-<codeline lineno="315" refid="classlibmolgrid_1_1MappedAtomIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="314"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Mapper,<sp/></highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Typer&gt;</highlight></codeline>
+<codeline lineno="315" refid="classlibmolgrid_1_1MappedAtomIndexTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kindref="member">AtomIndexTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="316"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="317" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Mapper<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" kindref="member">mapper</ref>;</highlight></codeline>
 <codeline lineno="318" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Typer<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" kindref="member">typer</ref>;</highlight></codeline>
@@ -442,7 +443,7 @@
 <codeline lineno="351"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" kindref="member">mapper</ref>.num_types();</highlight></codeline>
 <codeline lineno="352"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="353"><highlight class="normal"></highlight></codeline>
-<codeline lineno="355" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="355" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" kindref="member">get_atom_type_index</ref>(OpenBabel::OBAtom*<sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="356"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>res_rad<sp/>=<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" kindref="member">typer</ref>.get_atom_type_index(a);</highlight></codeline>
 <codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//remap<sp/>the<sp/>type</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="358"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" kindref="member">mapper</ref>.get_new_type(res_rad.first);</highlight></codeline>
@@ -450,7 +451,7 @@
 <codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="361"><highlight class="normal"></highlight></codeline>
 <codeline lineno="362"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//map<sp/>the<sp/>type</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="363" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="363" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::pair&lt;int,float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kindref="member">get_int_type</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="364"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>res_rad<sp/>=<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" kindref="member">typer</ref>.get_int_type(t);</highlight></codeline>
 <codeline lineno="365"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//remap<sp/>the<sp/>type</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="366"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" kindref="member">mapper</ref>.get_new_type(res_rad.first);</highlight></codeline>
@@ -458,16 +459,16 @@
 <codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="369"><highlight class="normal"></highlight></codeline>
 <codeline lineno="370"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="371" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="371" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" kindref="member">mapper</ref>.get_type_names();</highlight></codeline>
 <codeline lineno="373"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="374"><highlight class="normal"></highlight></codeline>
-<codeline lineno="376" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" kindref="member">type_radii</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="376" refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;<sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kindref="member">get_type_radii</ref>()</highlight><highlight class="keyword"><sp/>const<sp/><sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" kindref="member">type_radii</ref>;<sp/>}</highlight></codeline>
 <codeline lineno="377"><highlight class="normal"></highlight></codeline>
 <codeline lineno="378"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="379"><highlight class="normal"></highlight></codeline>
-<codeline lineno="380"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GninaVectorTyper</highlight></codeline>
-<codeline lineno="386" refid="classlibmolgrid_1_1GninaVectorTyper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GninaVectorTyper" kindref="compound">GninaVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper" kindref="compound">AtomVectorTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="380"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GninaVectorTyper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="386" refid="classlibmolgrid_1_1GninaVectorTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GninaVectorTyper_1a8aabffa33c33ea047ccfc0f0dc27f512" kindref="member">GninaVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" kindref="member">AtomVectorTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="387"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref><sp/>ityper;</highlight></codeline>
 <codeline lineno="388"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/>vtype_names;</highlight></codeline>
 <codeline lineno="389"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
@@ -515,9 +516,9 @@
 <codeline lineno="434"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="435"><highlight class="normal"></highlight></codeline>
 <codeline lineno="436"><highlight class="normal"></highlight></codeline>
-<codeline lineno="440" refid="classlibmolgrid_1_1CallbackVectorTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackVectorTyper" kindref="compound">CallbackVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper" kindref="compound">AtomVectorTyper</ref><sp/>{</highlight></codeline>
+<codeline lineno="440" refid="classlibmolgrid_1_1CallbackVectorTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" kindref="member">CallbackVectorTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" kindref="member">AtomVectorTyper</ref><sp/>{</highlight></codeline>
 <codeline lineno="441"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="442" refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" kindref="member">AtomVectorTyperFunc</ref><sp/>=<sp/>std::function&lt;float<sp/>(OpenBabel::OBAtom*<sp/>a,<sp/>std::vector&lt;float&gt;&amp;<sp/>)&gt;;</highlight></codeline>
+<codeline lineno="442" refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" kindref="member">AtomVectorTyperFunc</ref><sp/>=<sp/>std::function&lt;float<sp/>(OpenBabel::OBAtom*<sp/>a,<sp/>std::vector&lt;float&gt;&amp;<sp/>)&gt;;</highlight></codeline>
 <codeline lineno="443"><highlight class="normal"></highlight></codeline>
 <codeline lineno="444"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">private</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="445"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" kindref="member">AtomVectorTyperFunc</ref><sp/>callback<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
@@ -532,14 +533,14 @@
 <codeline lineno="457" refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674" kindref="member">get_atom_type_vector</ref>(OpenBabel::OBAtom*<sp/>a,<sp/>std::vector&lt;float&gt;&amp;<sp/>typ)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>callback(a,<sp/>typ);<sp/>}</highlight></codeline>
 <codeline lineno="458"><highlight class="normal"></highlight></codeline>
 <codeline lineno="459"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>vector<sp/>of<sp/>string<sp/>representations<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="460" refid="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>type_names;<sp/>}</highlight></codeline>
+<codeline lineno="460" refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>type_names;<sp/>}</highlight></codeline>
 <codeline lineno="461"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="462"><highlight class="normal"></highlight></codeline>
 <codeline lineno="463"><highlight class="normal"></highlight></codeline>
 <codeline lineno="464"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_FileAtomMapper</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="465"><highlight class="normal"></highlight><highlight class="comment">/***********<sp/>Atom<sp/>mappers<sp/>*****************/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="466"><highlight class="normal"></highlight></codeline>
-<codeline lineno="473" refid="classlibmolgrid_1_1FileAtomMapper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper" kindref="compound">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
+<codeline lineno="473" refid="classlibmolgrid_1_1FileAtomMapper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileAtomMapper_1a2026312e4be308b70d3e93514c33bb65" kindref="member">FileAtomMapper</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" kindref="member">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
 <codeline lineno="474"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/>old_type_names;</highlight></codeline>
 <codeline lineno="475"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;int&gt;<sp/>old_type_to_new_type;</highlight></codeline>
 <codeline lineno="476"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/>new_type_names;</highlight></codeline>
@@ -561,12 +562,12 @@
 <codeline lineno="496"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="497"><highlight class="normal"></highlight></codeline>
 <codeline lineno="498"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//return<sp/>mapped<sp/>type<sp/>names</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="499" refid="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>new_type_names;<sp/>}</highlight></codeline>
+<codeline lineno="499" refid="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>new_type_names;<sp/>}</highlight></codeline>
 <codeline lineno="500"><highlight class="normal"></highlight></codeline>
 <codeline lineno="501"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="502"><highlight class="normal"></highlight></codeline>
-<codeline lineno="503"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_SubsetAtomMapper</highlight></codeline>
-<codeline lineno="506" refid="classlibmolgrid_1_1SubsetAtomMapper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper" kindref="compound">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
+<codeline lineno="503"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_SubsetAtomMapper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="506" refid="classlibmolgrid_1_1SubsetAtomMapper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1a4a83e99735e832950df79857b47d8d84" kindref="member">SubsetAtomMapper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" kindref="member">AtomIndexTypeMapper</ref><sp/>{</highlight></codeline>
 <codeline lineno="507"><highlight class="normal"><sp/><sp/><sp/><sp/>std::unordered_map&lt;int,<sp/>int&gt;<sp/>old2new;</highlight></codeline>
 <codeline lineno="508"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/>new_type_names;</highlight></codeline>
 <codeline lineno="509"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>default_type<sp/>=<sp/>-1;<sp/></highlight><highlight class="comment">//<sp/>if<sp/>not<sp/>in<sp/>map</highlight><highlight class="normal"></highlight></codeline>
@@ -580,103 +581,103 @@
 <codeline lineno="522"><highlight class="normal"></highlight></codeline>
 <codeline lineno="524"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" kindref="member">get_new_type</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>origt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="525"><highlight class="normal"></highlight></codeline>
-<codeline lineno="526" refid="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>new_type_names;<sp/>}</highlight></codeline>
+<codeline lineno="526" refid="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>new_type_names;<sp/>}</highlight></codeline>
 <codeline lineno="527"><highlight class="normal"></highlight></codeline>
 <codeline lineno="528"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="529"><highlight class="normal"></highlight></codeline>
-<codeline lineno="530"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_SubsettedElementTyper</highlight></codeline>
-<codeline lineno="532" refid="classlibmolgrid_1_1SubsettedElementTyper" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsettedElementTyper" kindref="compound">SubsettedElementTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;SubsetAtomMapper,<sp/>ElementIndexTyper&gt;<sp/>{</highlight></codeline>
+<codeline lineno="530"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_SubsettedElementTyper</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="532" refid="classlibmolgrid_1_1SubsettedElementTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" kindref="member">SubsettedElementTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;SubsetAtomMapper,<sp/>ElementIndexTyper&gt;<sp/>{</highlight></codeline>
 <codeline lineno="533"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="534" refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" kindref="member">SubsettedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxe<sp/>=<sp/>84):</highlight></codeline>
-<codeline lineno="535"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper" kindref="compound">SubsettedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="535"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" kindref="member">SubsettedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="536"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="537"><highlight class="normal"></highlight></codeline>
 <codeline lineno="538" refid="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26" kindref="member">SubsettedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="539"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="540"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="539"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="540"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="541"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="542"><highlight class="normal"></highlight></codeline>
 <codeline lineno="543" refid="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14" kindref="member">SubsettedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;<sp/>std::vector&lt;int&gt;<sp/>&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxe<sp/>=<sp/>84):</highlight></codeline>
-<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper" kindref="compound">SubsettedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" kindref="member">SubsettedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="545"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="546"><highlight class="normal"></highlight></codeline>
 <codeline lineno="547" refid="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164" kindref="member">SubsettedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;<sp/>std::vector&lt;int&gt;<sp/>&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="548"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="549"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="548"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="549"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="550"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="551"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="552"><highlight class="normal"></highlight></codeline>
-<codeline lineno="554" refid="classlibmolgrid_1_1SubsettedGninaTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsettedGninaTyper" kindref="compound">SubsettedGninaTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;SubsetAtomMapper,<sp/>GninaIndexTyper&gt;<sp/>{</highlight></codeline>
+<codeline lineno="554" refid="classlibmolgrid_1_1SubsettedGninaTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" kindref="member">SubsettedGninaTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;SubsetAtomMapper,<sp/>GninaIndexTyper&gt;<sp/>{</highlight></codeline>
 <codeline lineno="555"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="556" refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" kindref="member">SubsettedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>usec<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="557"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper" kindref="compound">SubsettedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor<sp/>to<sp/>avoid<sp/>multiple<sp/>constructions<sp/>of<sp/>typer</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="557"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" kindref="member">SubsettedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor<sp/>to<sp/>avoid<sp/>multiple<sp/>constructions<sp/>of<sp/>typer</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="558"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="559"><highlight class="normal"></highlight></codeline>
 <codeline lineno="560" refid="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7" kindref="member">SubsettedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="561"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="562"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="561"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="562"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="563"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="564"><highlight class="normal"></highlight></codeline>
 <codeline lineno="565" refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db" kindref="member">SubsettedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;<sp/>std::vector&lt;int&gt;<sp/>&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>usec<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="566"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper" kindref="compound">SubsettedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="566"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" kindref="member">SubsettedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>map,<sp/>include_catchall)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="567"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="568"><highlight class="normal"></highlight></codeline>
 <codeline lineno="569" refid="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f" kindref="member">SubsettedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;<sp/>std::vector&lt;int&gt;<sp/>&gt;&amp;<sp/>map,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_catchall=</highlight><highlight class="keyword">true</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="570"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="571"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="570"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="571"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref>(map,include_catchall,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="572"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="573"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="574"><highlight class="normal"></highlight></codeline>
-<codeline lineno="576" refid="classlibmolgrid_1_1FileMappedElementTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileMappedElementTyper" kindref="compound">FileMappedElementTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;FileAtomMapper,<sp/>ElementIndexTyper&gt;<sp/>{</highlight></codeline>
+<codeline lineno="576" refid="classlibmolgrid_1_1FileMappedElementTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" kindref="member">FileMappedElementTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;FileAtomMapper,<sp/>ElementIndexTyper&gt;<sp/>{</highlight></codeline>
 <codeline lineno="577"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="578" refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" kindref="member">FileMappedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxe<sp/>=<sp/>84):</highlight></codeline>
-<codeline lineno="579"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper" kindref="compound">FileMappedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>fname)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="579"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" kindref="member">FileMappedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>fname)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="580"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="581"><highlight class="normal"></highlight></codeline>
 <codeline lineno="582" refid="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588" kindref="member">FileMappedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname):</highlight></codeline>
-<codeline lineno="583"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="584"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(fname,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="583"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="584"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(fname,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="585"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="586"><highlight class="normal"></highlight></codeline>
 <codeline lineno="587" refid="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767" kindref="member">FileMappedElementTyper</ref>(std::istream&amp;<sp/>i,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxe<sp/>=<sp/>84):</highlight></codeline>
-<codeline lineno="588"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper" kindref="compound">FileMappedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>i)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="588"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" kindref="member">FileMappedElementTyper</ref>(<ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>(maxe),<sp/>i)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="589"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="590"><highlight class="normal"></highlight></codeline>
 <codeline lineno="591" refid="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1" kindref="member">FileMappedElementTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&amp;<sp/>etyper,<sp/>std::istream&amp;<sp/>i):</highlight></codeline>
-<codeline lineno="592"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="593"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(i,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="592"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="593"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(i,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="594"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="595"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="596"><highlight class="normal"></highlight></codeline>
-<codeline lineno="598" refid="classlibmolgrid_1_1FileMappedGninaTyper" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;FileAtomMapper,<sp/>GninaIndexTyper&gt;<sp/>{</highlight></codeline>
+<codeline lineno="598" refid="classlibmolgrid_1_1FileMappedGninaTyper" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" kindref="member">FileMappedGninaTyper</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;FileAtomMapper,<sp/>GninaIndexTyper&gt;<sp/>{</highlight></codeline>
 <codeline lineno="599"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="600" refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" kindref="member">FileMappedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>usec<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="601"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>fname)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="601"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" kindref="member">FileMappedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>fname)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="602"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="603"><highlight class="normal"></highlight></codeline>
 <codeline lineno="604" refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b" kindref="member">FileMappedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&amp;<sp/>etyper,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname):</highlight></codeline>
-<codeline lineno="605"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="606"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(fname,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="605"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="606"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(fname,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="607"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="608"><highlight class="normal"></highlight></codeline>
 <codeline lineno="609" refid="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee" kindref="member">FileMappedGninaTyper</ref>(std::istream&amp;<sp/>i,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>usec<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">):</highlight></codeline>
-<codeline lineno="610"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>i)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="610"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" kindref="member">FileMappedGninaTyper</ref>(<ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>(usec),<sp/>i)<sp/>{<sp/></highlight><highlight class="comment">//delegating<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="611"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="612"><highlight class="normal"></highlight></codeline>
 <codeline lineno="613" refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88" kindref="member">FileMappedGninaTyper</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&amp;<sp/>etyper,<sp/>std::istream&amp;<sp/>i):</highlight></codeline>
-<codeline lineno="614"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper" kindref="compound">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
-<codeline lineno="615"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(i,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
+<codeline lineno="614"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" kindref="member">MappedAtomIndexTyper</ref>&lt;<ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>,<sp/><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref>&gt;(</highlight></codeline>
+<codeline lineno="615"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref>(i,etyper.<ref refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kindref="member">get_type_names</ref>()),etyper)<sp/>{</highlight></codeline>
 <codeline lineno="616"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="617"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="618"><highlight class="normal"></highlight></codeline>
-<codeline lineno="635"><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>FileMappedGninaTyper<sp/><ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>;</highlight></codeline>
+<codeline lineno="635"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>FileMappedGninaTyper<sp/><ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>;</highlight></codeline>
 <codeline lineno="636"><highlight class="normal"></highlight></codeline>
-<codeline lineno="653"><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>FileMappedGninaTyper<sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>;</highlight></codeline>
+<codeline lineno="653"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>FileMappedGninaTyper<sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>;</highlight></codeline>
 <codeline lineno="654"><highlight class="normal"></highlight></codeline>
 <codeline lineno="655"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="656"><highlight class="normal"></highlight></codeline>
 <codeline lineno="657"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>ATOMTYPER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/cartesian__grid_8cpp.xml b/docs/cpp/xml/cartesian__grid_8cpp.xml
index af60a343..defd7306 100644
--- a/docs/cpp/xml/cartesian__grid_8cpp.xml
+++ b/docs/cpp/xml/cartesian__grid_8cpp.xml
@@ -1,23 +1,34 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="cartesian__grid_8cpp" kind="file" language="C++">
     <compoundname>cartesian_grid.cpp</compoundname>
     <includes refid="cartesian__grid_8h" local="no">libmolgrid/cartesian_grid.h</includes>
     <incdepgraph>
-      <node id="7">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="1">
-        <label>cartesian_grid.cpp</label>
-        <link refid="cartesian__grid_8cpp"/>
-        <childnode refid="2" relation="include">
+      <node id="2">
+        <label>libmolgrid/cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
         </childnode>
       </node>
-      <node id="17">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="8">
-        <label>cassert</label>
+      <node id="12">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
       </node>
       <node id="4">
         <label>libmolgrid/grid.h</label>
@@ -34,85 +45,97 @@
         </childnode>
         <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
-      </node>
-      <node id="2">
-        <label>libmolgrid/cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
       <node id="16">
-        <label>random</label>
-      </node>
-      <node id="19">
-        <label>utility</label>
-      </node>
-      <node id="10">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="11" relation="include">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>iostream</label>
-      </node>
-      <node id="14">
-        <label>cuda.h</label>
-      </node>
-      <node id="13">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="6">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
       <node id="18">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="11" relation="include">
-        </childnode>
         <childnode refid="19" relation="include">
         </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
         <childnode refid="7" relation="include">
         </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
         <childnode refid="4" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>type_traits</label>
+      <node id="1">
+        <label>cartesian_grid.cpp</label>
+        <link refid="cartesian__grid_8cpp"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+      </node>
+      <node id="7">
+        <label>boost/lexical_cast.hpp</label>
       </node>
       <node id="5">
         <label>boost/multi_array.hpp</label>
       </node>
-      <node id="15">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="16" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
+      <node id="6">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="12">
+      <node id="22">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="21">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="8">
+        <label>cassert</label>
+      </node>
+      <node id="19">
+        <label>cstdlib</label>
+      </node>
+      <node id="10">
         <label>cstring</label>
       </node>
-      <node id="11">
+      <node id="9">
+        <label>iostream</label>
+      </node>
+      <node id="15">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="13">
         <label>memory</label>
       </node>
+      <node id="17">
+        <label>random</label>
+      </node>
+      <node id="11">
+        <label>stdexcept</label>
+      </node>
+      <node id="14">
+        <label>string</label>
+      </node>
+      <node id="3">
+        <label>type_traits</label>
+      </node>
+      <node id="20">
+        <label>utility</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -131,17 +154,17 @@
 <codeline lineno="9"><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>Grid&lt;float,<sp/>4,<sp/>false&gt;<sp/>&gt;;</highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>Grid&lt;float,<sp/>4,<sp/>true&gt;<sp/>&gt;;</highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>Grid&lt;double,<sp/>4,<sp/>false&gt;<sp/>&gt;;</highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>Grid&lt;double,<sp/>4,<sp/>true&gt;<sp/>&gt;;</highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; Grid&lt;float, 4, false&gt;</ref><sp/>&gt;;</highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; Grid&lt;float, 4, true&gt;</ref><sp/>&gt;;</highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; Grid&lt;double, 4, false&gt;</ref><sp/>&gt;;</highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; Grid&lt;double, 4, true&gt;</ref><sp/>&gt;;</highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight></codeline>
-<codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>ManagedGrid&lt;float,<sp/>4&gt;<sp/>&gt;;</highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">CartesianGrid&lt;<sp/>ManagedGrid&lt;double,<sp/>4&gt;<sp/>&gt;;</highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; ManagedGrid&lt;float, 4&gt;</ref><sp/>&gt;;</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt; ManagedGrid&lt;double, 4&gt;</ref><sp/>&gt;;</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight></codeline>
 <codeline lineno="21"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/cartesian_grid.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/cartesian_grid.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/cartesian__grid_8h.xml b/docs/cpp/xml/cartesian__grid_8h.xml
index 142f26d4..b109501d 100644
--- a/docs/cpp/xml/cartesian__grid_8h.xml
+++ b/docs/cpp/xml/cartesian__grid_8h.xml
@@ -1,22 +1,39 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="cartesian__grid_8h" kind="file" language="C++">
     <compoundname>cartesian_grid.h</compoundname>
     <includes local="no">type_traits</includes>
     <includes refid="grid_8h" local="yes">libmolgrid/grid.h</includes>
     <includes refid="managed__grid_8h" local="yes">libmolgrid/managed_grid.h</includes>
+    <includedby refid="cartesian__grid_8cpp" local="no">cartesian_grid.cpp</includedby>
     <includedby refid="grid__interpolater_8h" local="yes">grid_interpolater.h</includedby>
     <includedby refid="grid__io_8h" local="yes">grid_io.h</includedby>
-    <includedby refid="cartesian__grid_8cpp" local="no">cartesian_grid.cpp</includedby>
     <incdepgraph>
-      <node id="6">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="16">
-        <label>cuda_runtime.h</label>
+      <node id="1">
+        <label>cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
       </node>
-      <node id="7">
-        <label>cassert</label>
+      <node id="11">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
       </node>
       <node id="3">
         <label>libmolgrid/grid.h</label>
@@ -33,121 +50,127 @@
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
-        </childnode>
-      </node>
-      <node id="1">
-        <label>cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="2" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
       </node>
       <node id="15">
-        <label>random</label>
-      </node>
-      <node id="18">
-        <label>utility</label>
-      </node>
-      <node id="9">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="10" relation="include">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>iostream</label>
-      </node>
-      <node id="13">
-        <label>cuda.h</label>
-      </node>
-      <node id="12">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="5">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
       <node id="17">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="10" relation="include">
-        </childnode>
         <childnode refid="18" relation="include">
         </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
         <childnode refid="6" relation="include">
         </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
         <childnode refid="3" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>type_traits</label>
+      <node id="6">
+        <label>boost/lexical_cast.hpp</label>
       </node>
       <node id="4">
         <label>boost/multi_array.hpp</label>
       </node>
-      <node id="14">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
-        <childnode refid="16" relation="include">
-        </childnode>
+      <node id="5">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="11">
+      <node id="21">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="7">
+        <label>cassert</label>
+      </node>
+      <node id="18">
+        <label>cstdlib</label>
+      </node>
+      <node id="9">
         <label>cstring</label>
       </node>
-      <node id="10">
+      <node id="8">
+        <label>iostream</label>
+      </node>
+      <node id="14">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="12">
         <label>memory</label>
       </node>
-    </incdepgraph>
-    <invincdepgraph>
-      <node id="2">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
+      <node id="16">
+        <label>random</label>
       </node>
-      <node id="5">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
+      <node id="10">
+        <label>stdexcept</label>
       </node>
-      <node id="6">
-        <label>cartesian_grid.cpp</label>
-        <link refid="cartesian__grid_8cpp"/>
+      <node id="13">
+        <label>string</label>
       </node>
-      <node id="4">
-        <label>grid_io.h</label>
-        <link refid="grid__io_8h"/>
-        <childnode refid="5" relation="include">
-        </childnode>
+      <node id="2">
+        <label>type_traits</label>
+      </node>
+      <node id="19">
+        <label>utility</label>
       </node>
+    </incdepgraph>
+    <invincdepgraph>
       <node id="1">
         <label>cartesian_grid.h</label>
         <link refid="cartesian__grid_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
         <childnode refid="4" relation="include">
         </childnode>
+      </node>
+      <node id="5">
+        <label>grid_io.h</label>
+        <link refid="grid__io_8h"/>
         <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="3">
+      <node id="2">
+        <label>cartesian_grid.cpp</label>
+        <link refid="cartesian__grid_8cpp"/>
+      </node>
+      <node id="4">
         <label>grid_interpolater.cpp</label>
         <link refid="grid__interpolater_8cpp"/>
       </node>
+      <node id="6">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1CartesianGrid" prot="public">libmolgrid::CartesianGrid</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -157,8 +180,9 @@
 <para>Wrapper around grid object that imposes Cartesian coordinates </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="6"><highlight class="preprocessor">#ifndef<sp/>CARTESIAN_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="5"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>CARTESIAN_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>CARTESIAN_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;type_traits&gt;</highlight><highlight class="normal"></highlight></codeline>
@@ -167,16 +191,16 @@
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_CartesianGrid</highlight></codeline>
-<codeline lineno="20"><highlight class="comment"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>G&gt;</highlight></codeline>
-<codeline lineno="21" refid="classlibmolgrid_1_1CartesianGrid" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_CartesianGrid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>G&gt;</highlight></codeline>
+<codeline lineno="21" refid="classlibmolgrid_1_1CartesianGrid" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" kindref="member">CartesianGrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"><sp/><sp/><sp/><sp/>G<sp/>grid_;</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dimensions[3]<sp/>=<sp/>{0,};<sp/></highlight><highlight class="comment">//number<sp/>of<sp/>grid<sp/>points</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>center_<sp/>=<sp/>{0,};</highlight></codeline>
-<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>origin_<sp/>=<sp/>{0,};</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center_<sp/>=<sp/>{0,};</highlight></codeline>
+<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>origin_<sp/>=<sp/>{0,};</highlight></codeline>
 <codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution_<sp/>=<sp/>0.0;</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="29" refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" kindref="member">CartesianGrid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/>g,<sp/>float3<sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res):<sp/>grid_(g),<sp/>center_(c),<sp/>resolution_(res)<sp/>{</highlight></codeline>
+<codeline lineno="29" refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" kindref="member">CartesianGrid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/>g,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res):<sp/>grid_(g),<sp/>center_(c),<sp/>resolution_(res)<sp/>{</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>dimensions[0]<sp/>=<sp/>g.dimension(G::N-3);</highlight></codeline>
 <codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>dimensions[1]<sp/>=<sp/>g.dimension(G::N-2);</highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>dimensions[2]<sp/>=<sp/>g.dimension(G::N-1);</highlight></codeline>
@@ -187,31 +211,31 @@
 <codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="38" refid="classlibmolgrid_1_1CartesianGrid_1a06b7c8c6d4403b1427e3f8f148984d6a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a06b7c8c6d4403b1427e3f8f148984d6a" kindref="member">~CartesianGrid</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="39"><highlight class="normal"></highlight></codeline>
-<codeline lineno="41" refid="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>center_;<sp/>}</highlight></codeline>
+<codeline lineno="41" refid="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>center_;<sp/>}</highlight></codeline>
 <codeline lineno="43" refid="classlibmolgrid_1_1CartesianGrid_1a90680a3e9859cab288318701395f6443" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a90680a3e9859cab288318701395f6443" kindref="member">resolution</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>resolution_;<sp/>}</highlight></codeline>
-<codeline lineno="45" refid="classlibmolgrid_1_1CartesianGrid_1a101b62301de9d0e1cab373ae5a1aa9f0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>G&amp;<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a101b62301de9d0e1cab373ae5a1aa9f0" kindref="member">grid</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_;<sp/>}</highlight></codeline>
-<codeline lineno="46" refid="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064" kindref="member">grid</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_;<sp/>}</highlight></codeline>
+<codeline lineno="45" refid="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>G&amp;<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83" kindref="member">grid</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_;<sp/>}</highlight></codeline>
+<codeline lineno="46" refid="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74" kindref="member">grid</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_;<sp/>}</highlight></codeline>
 <codeline lineno="47"><highlight class="normal"></highlight></codeline>
-<codeline lineno="49" refid="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" kindref="member">cart2grid</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>pt<sp/>=<sp/>{<sp/>(x-origin_.x)/resolution_,<sp/>(y-origin_.y)/resolution_,<sp/>(z-origin_.z)/resolution_<sp/>};</highlight></codeline>
+<codeline lineno="49" refid="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" kindref="member">cart2grid</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt<sp/>=<sp/>{<sp/>(x-origin_.x)/resolution_,<sp/>(y-origin_.y)/resolution_,<sp/>(z-origin_.z)/resolution_<sp/>};</highlight></codeline>
 <codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
 <codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="53"><highlight class="normal"></highlight></codeline>
-<codeline lineno="55" refid="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" kindref="member">grid2cart</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>pt<sp/>=<sp/>{origin_.x+i*resolution_,origin_.y+j*resolution_,origin_.z+k*resolution_};</highlight></codeline>
+<codeline lineno="55" refid="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" kindref="member">grid2cart</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt<sp/>=<sp/>{origin_.x+i*resolution_,origin_.y+j*resolution_,origin_.z+k*resolution_};</highlight></codeline>
 <codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"></highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>G::type<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e" kindref="member">interpolate</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>channel,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="61" refid="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>G::type<sp/><ref refid="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e" kindref="member">interpolate</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>channel,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="62"><highlight class="normal"></highlight></codeline>
 <codeline lineno="63"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="64"><highlight class="normal"></highlight></codeline>
-<codeline lineno="65" refid="namespacelibmolgrid_1a3f0b7d1200a69162b68f8226c9764a95" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianMGrid</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;float, 3&gt;</ref><sp/>&gt;;</highlight></codeline>
+<codeline lineno="65" refid="namespacelibmolgrid_1a3f0b7d1200a69162b68f8226c9764a95" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid_1a3f0b7d1200a69162b68f8226c9764a95" kindref="member">CartesianMGrid</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;float, 3&gt;</ref><sp/>&gt;;</highlight></codeline>
 <codeline lineno="66"><highlight class="normal"></highlight></codeline>
 <codeline lineno="67"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="68"><highlight class="normal"></highlight></codeline>
 <codeline lineno="69"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>CARTESIAN_GRID_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTypeMapper.xml b/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTypeMapper.xml
index 124da7d1..1d127b28 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTypeMapper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTypeMapper.xml
@@ -1,42 +1,45 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1AtomIndexTypeMapper" kind="class" language="C++" prot="public" abstract="yes">
     <compoundname>libmolgrid::AtomIndexTypeMapper</compoundname>
     <derivedcompoundref refid="classlibmolgrid_1_1FileAtomMapper" prot="public" virt="non-virtual">FileAtomMapper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1SubsetAtomMapper" prot="public" virt="non-virtual">SubsetAtomMapper</derivedcompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>AtomIndexTypeMapper</definition>
         <argsstring>()</argsstring>
         <name>AtomIndexTypeMapper</name>
+        <qualifiedname>libmolgrid::AtomIndexTypeMapper::AtomIndexTypeMapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="102" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="102" bodyend="102"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="102" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="102" bodyend="102"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~AtomIndexTypeMapper</definition>
         <argsstring>()</argsstring>
         <name>~AtomIndexTypeMapper</name>
+        <qualifiedname>libmolgrid::AtomIndexTypeMapper::~AtomIndexTypeMapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="103" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="103" bodyend="103"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="103" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="103" bodyend="103"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::AtomIndexTypeMapper::num_types</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1FileAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1SubsetAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <briefdescription>
@@ -46,13 +49,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="106" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="106" bodyend="106"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="106" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="106" bodyend="106"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>int</type>
         <definition>virtual int get_new_type</definition>
         <argsstring>(unsigned origt) const</argsstring>
         <name>get_new_type</name>
+        <qualifiedname>libmolgrid::AtomIndexTypeMapper::get_new_type</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd">get_new_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd">get_new_type</reimplementedby>
         <param>
@@ -66,15 +70,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="109" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="109" bodyend="109"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="109" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="109" bodyend="109"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const =0</argsstring>
         <name>get_type_names</name>
-        <reimplementedby refid="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
+        <qualifiedname>libmolgrid::AtomIndexTypeMapper::get_type_names</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <briefdescription>
 <para>return vector of string representations of types </para>
         </briefdescription>
@@ -82,9 +87,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="112" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="112" column="25"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Base class for mapping between type indices. </para>
     </briefdescription>
@@ -95,24 +100,24 @@
         <label>AtomIndexTypeMapper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
-      <node id="3">
-        <label>SubsetAtomMapper</label>
-        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
-        <childnode refid="1" relation="public-inheritance">
-        </childnode>
-      </node>
       <node id="2">
         <label>FileAtomMapper</label>
         <link refid="classlibmolgrid_1_1FileAtomMapper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>SubsetAtomMapper</label>
+        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
     </inheritancegraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="100" column="26" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="100" bodyend="113"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="100" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="100" bodyend="113"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" prot="public" virt="non-virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>AtomIndexTypeMapper</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>get_new_type</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTypeMapper</scope><name>~AtomIndexTypeMapper</name></member>
     </listofallmembers>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTyper.xml
index ecceceee..d65d2bfe 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1AtomIndexTyper.xml
@@ -1,56 +1,63 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1AtomIndexTyper" kind="class" language="C++" prot="public" abstract="yes">
     <compoundname>libmolgrid::AtomIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomTyper" prot="public" virt="non-virtual">AtomTyper</basecompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</derivedcompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</derivedcompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</derivedcompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1CallbackIndexTyper" prot="public" virt="non-virtual">CallbackIndexTyper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1ElementIndexTyper" prot="public" virt="non-virtual">ElementIndexTyper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1GninaIndexTyper" prot="public" virt="non-virtual">GninaIndexTyper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; Mapper, Typer &gt;</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1NullIndexTyper" prot="public" virt="non-virtual">NullIndexTyper</derivedcompoundref>
-    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</derivedcompoundref>
-    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</derivedcompoundref>
-    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</derivedcompoundref>
-    <derivedcompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</derivedcompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>AtomIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>AtomIndexTyper</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::AtomIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="45" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="45" bodyend="45"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="45" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="45" bodyend="45"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~AtomIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>~AtomIndexTyper</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::~AtomIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="46" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="46" bodyend="46"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="46" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="46" bodyend="46"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const =0</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -58,14 +65,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
+        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -81,23 +89,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const =0</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplements>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -109,23 +118,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="54" column="23"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="54" column="23"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const =0</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplements>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -137,19 +147,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="58" column="23"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="58" column="23"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const =0</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplements>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -157,18 +172,23 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_type_radii</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplementedby>
         <briefdescription>
 <para>if applicable to the typer, return the standard atomic radius of each type </para>
         </briefdescription>
@@ -176,14 +196,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -191,15 +212,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -218,127 +240,127 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Base class for generating numerical types along with atomic radius. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="15">
-        <label>SubsettedGninaTyper</label>
-        <link refid="classlibmolgrid_1_1SubsettedGninaTyper"/>
-        <childnode refid="14" relation="public-inheritance">
+      <node id="1">
+        <label>AtomIndexTyper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
       <node id="2">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
-      <node id="4">
+      <node id="11">
+        <label>CallbackIndexTyper</label>
+        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="12">
         <label>ElementIndexTyper</label>
         <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="7">
-        <label>NullIndexTyper</label>
-        <link refid="classlibmolgrid_1_1NullIndexTyper"/>
-        <childnode refid="1" relation="public-inheritance">
+      <node id="4">
+        <label>FileMappedElementTyper</label>
+        <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
+        <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
       <node id="6">
+        <label>FileMappedGninaTyper</label>
+        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
+        <childnode refid="5" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="13">
+        <label>GninaIndexTyper</label>
+        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="14">
         <label>MappedAtomIndexTyper&lt; Mapper, Typer &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="8">
+      <node id="3">
         <label>MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="10">
+      <node id="5">
         <label>MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="11">
-        <label>FileMappedGninaTyper</label>
-        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
-        <childnode refid="10" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="1">
-        <label>AtomIndexTyper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
+      <node id="7">
+        <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</label>
+        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
+        <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="14">
+      <node id="9">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="3">
-        <label>CallbackIndexTyper</label>
-        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
+      <node id="15">
+        <label>NullIndexTyper</label>
+        <link refid="classlibmolgrid_1_1NullIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="9">
-        <label>FileMappedElementTyper</label>
-        <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
-        <childnode refid="8" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="13">
+      <node id="8">
         <label>SubsettedElementTyper</label>
         <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
-        <childnode refid="12" relation="public-inheritance">
+        <childnode refid="7" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="5">
-        <label>GninaIndexTyper</label>
-        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
-        <childnode refid="1" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="12">
-        <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</label>
-        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
-        <childnode refid="1" relation="public-inheritance">
+      <node id="10">
+        <label>SubsettedGninaTyper</label>
+        <link refid="classlibmolgrid_1_1SubsettedGninaTyper"/>
+        <childnode refid="9" relation="public-inheritance">
         </childnode>
       </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="2">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="43" column="38" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="43" bodyend="72"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="43" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="43" bodyend="72"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::AtomIndexTyper</scope><name>set_names</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1AtomTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1AtomTyper.xml
index 4fbdd5d7..f9486de7 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1AtomTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1AtomTyper.xml
@@ -1,68 +1,76 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1AtomTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::AtomTyper</compoundname>
     <derivedcompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1AtomVectorTyper" prot="public" virt="non-virtual">AtomVectorTyper</derivedcompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>AtomTyper</definition>
         <argsstring>()</argsstring>
         <name>AtomTyper</name>
+        <qualifiedname>libmolgrid::AtomTyper::AtomTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="28" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="28" bodyend="28"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="28" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="28" bodyend="28"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~AtomTyper</definition>
         <argsstring>()</argsstring>
         <name>~AtomTyper</name>
+        <qualifiedname>libmolgrid::AtomTyper::~AtomTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="29" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="29" bodyend="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="29" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="29" bodyend="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::num_types</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="32" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="32" bodyend="32"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="32" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="32" bodyend="32"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const</argsstring>
         <name>get_atom_type_vector</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d">get_atom_type_vector</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646">get_atom_type_vector</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_atom_type_vector</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea">get_atom_type_vector</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646">get_atom_type_vector</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d">get_atom_type_vector</reimplementedby>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -77,24 +85,25 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="34" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="34" bodyend="34"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="34" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="34" bodyend="34"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_atom_type_index</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplementedby>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -105,23 +114,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="35" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="35" bodyend="35"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="35" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="35" bodyend="35"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_int_type</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -132,35 +142,41 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_type_names</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="38" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="38" bodyend="38"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="38" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="38" bodyend="38"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomTyper::is_vector_typer</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplementedby>
         <briefdescription>
@@ -169,70 +185,34 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="39" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="39" bodyend="39"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="39" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="39" bodyend="39"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Base class for all atom typers. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="15">
-        <label>SubsettedGninaTyper</label>
-        <link refid="classlibmolgrid_1_1SubsettedGninaTyper"/>
-        <childnode refid="14" relation="public-inheritance">
-        </childnode>
-      </node>
       <node id="1">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
-      <node id="4">
-        <label>ElementIndexTyper</label>
-        <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="7">
-        <label>NullIndexTyper</label>
-        <link refid="classlibmolgrid_1_1NullIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="6">
-        <label>MappedAtomIndexTyper&lt; Mapper, Typer &gt;</label>
-        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="8">
-        <label>MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</label>
-        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="10">
-        <label>MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</label>
-        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="11">
-        <label>FileMappedGninaTyper</label>
-        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
-        <childnode refid="10" relation="public-inheritance">
-        </childnode>
-      </node>
       <node id="2">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="14">
-        <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</label>
-        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
+      <node id="16">
+        <label>AtomVectorTyper</label>
+        <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="11">
+        <label>CallbackIndexTyper</label>
+        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
@@ -242,28 +222,28 @@
         <childnode refid="16" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="3">
-        <label>CallbackIndexTyper</label>
-        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
+      <node id="12">
+        <label>ElementIndexTyper</label>
+        <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="9">
+      <node id="4">
         <label>FileMappedElementTyper</label>
         <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
-        <childnode refid="8" relation="public-inheritance">
+        <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="13">
-        <label>SubsettedElementTyper</label>
-        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
-        <childnode refid="12" relation="public-inheritance">
+      <node id="6">
+        <label>FileMappedGninaTyper</label>
+        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
+        <childnode refid="5" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="16">
-        <label>AtomVectorTyper</label>
-        <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
-        <childnode refid="1" relation="public-inheritance">
+      <node id="13">
+        <label>GninaIndexTyper</label>
+        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
       <node id="18">
@@ -272,26 +252,62 @@
         <childnode refid="16" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="14">
+        <label>MappedAtomIndexTyper&lt; Mapper, Typer &gt;</label>
+        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</label>
+        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="5">
-        <label>GninaIndexTyper</label>
-        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <label>MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</label>
+        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="12">
+      <node id="7">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="9">
+        <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</label>
+        <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="15">
+        <label>NullIndexTyper</label>
+        <link refid="classlibmolgrid_1_1NullIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="8">
+        <label>SubsettedElementTyper</label>
+        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
+        <childnode refid="7" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="10">
+        <label>SubsettedGninaTyper</label>
+        <link refid="classlibmolgrid_1_1SubsettedGninaTyper"/>
+        <childnode refid="9" relation="public-inheritance">
+        </childnode>
+      </node>
     </inheritancegraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="26" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="26" bodyend="40"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="26" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="26" bodyend="40"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::AtomTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" prot="public" virt="virtual"><scope>libmolgrid::AtomTyper</scope><name>~AtomTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1AtomVectorTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1AtomVectorTyper.xml
index 6f1e455b..f98b227f 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1AtomVectorTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1AtomVectorTyper.xml
@@ -1,46 +1,49 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1AtomVectorTyper" kind="class" language="C++" prot="public" abstract="yes">
     <compoundname>libmolgrid::AtomVectorTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomTyper" prot="public" virt="non-virtual">AtomTyper</basecompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1CallbackVectorTyper" prot="public" virt="non-virtual">CallbackVectorTyper</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1GninaVectorTyper" prot="public" virt="non-virtual">GninaVectorTyper</derivedcompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>AtomVectorTyper</definition>
         <argsstring>()</argsstring>
         <name>AtomVectorTyper</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::AtomVectorTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="77" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="77" bodyend="77"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="77" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="77" bodyend="77"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~AtomVectorTyper</definition>
         <argsstring>()</argsstring>
         <name>~AtomVectorTyper</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::~AtomVectorTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="78" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="78" bodyend="78"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="78" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="78" bodyend="78"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const =0</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -48,15 +51,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="81" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" compoundref="atom__typer_8h" startline="89" endline="89">AtomVectorTyper::get_vector_type_radii</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="81" column="22"/>
+        <referencedby refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" compoundref="atom__typer_8h" startline="89" endline="89">AtomVectorTyper::get_vector_type_radii</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const final</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -67,16 +71,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const =0</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d">get_atom_type_vector</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d">get_atom_type_vector</reimplementedby>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -92,13 +97,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="86" column="19"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="86" column="19"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_vector_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_vector_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_vector_type_radii</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_vector_type_radii</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23">get_vector_type_radii</reimplementedby>
         <briefdescription>
 <para>return radii of types </para>
@@ -107,29 +113,31 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="89" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="89" bodyend="89"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="89" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="89" bodyend="89"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const =0</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplements>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77">get_type_names</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="93" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="93" column="25"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -137,23 +145,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_int_type</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -164,15 +173,21 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Base class for generating vector types. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
+      <node id="1">
+        <label>AtomVectorTyper</label>
+        <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="2">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
@@ -183,12 +198,6 @@
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>AtomVectorTyper</label>
-        <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
       <node id="4">
         <label>GninaVectorTyper</label>
         <link refid="classlibmolgrid_1_1GninaVectorTyper"/>
@@ -197,26 +206,26 @@
       </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="2">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>AtomVectorTyper</label>
         <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="75" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="75" bodyend="97"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="75" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="75" bodyend="97"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>AtomTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" prot="public" virt="non-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>AtomVectorTyper</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_vector_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>get_vector_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" prot="public" virt="virtual"><scope>libmolgrid::AtomVectorTyper</scope><name>~AtomTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1BalancedExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1BalancedExampleRefProvider.xml
index 9ae61f9d..06be5cf0 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1BalancedExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1BalancedExampleRefProvider.xml
@@ -1,41 +1,44 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1BalancedExampleRefProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::BalancedExampleRefProvider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
     <includes refid="exampleref__providers_8h" local="no">exampleref_providers.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c3c599a57ae155012056d9db86ad08d" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref></type>
         <definition>UniformExampleRefProvider actives</definition>
         <argsstring></argsstring>
         <name>actives</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::actives</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="100" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="100" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="100" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="100" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a794ba353d3e0e644569a7178f94f2673" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref></type>
         <definition>UniformExampleRefProvider decoys</definition>
         <argsstring></argsstring>
         <name>decoys</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::decoys</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="101" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="101" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="101" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="101" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t current</definition>
         <argsstring></argsstring>
         <name>current</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::current</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -43,13 +46,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="102" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="102" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="102" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="102" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae15d102ceae49cf5f3fd098f45df674b" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned labelpos</definition>
         <argsstring></argsstring>
         <name>labelpos</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::labelpos</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -57,28 +61,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="103" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="103" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="103" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="103" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>BalancedExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>BalancedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="106" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="106" bodyend="106"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="106" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="106" bodyend="106"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>BalancedExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings)</argsstring>
         <name>BalancedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::BalancedExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -89,13 +95,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="107" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="107" bodyend="110"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="107" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="107" bodyend="110"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -107,13 +114,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="112" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="107" bodyend="117"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="112" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="107" bodyend="117"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -122,13 +130,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="115" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="115" bodyend="115"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="115" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="115" bodyend="115"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -136,13 +145,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="116" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="119" bodyend="124"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="116" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="119" bodyend="124"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -154,13 +164,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="117" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="126" bodyend="137"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="117" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="126" bodyend="137"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -168,39 +179,42 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="118" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="118" bodyend="118"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="118" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="118" bodyend="118"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>unsigned</type>
         <definition>unsigned num_actives</definition>
         <argsstring>() const</argsstring>
         <name>num_actives</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::num_actives</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="119" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="119" bodyend="119"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="119" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="119" bodyend="119"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>unsigned</type>
         <definition>unsigned num_decoys</definition>
         <argsstring>() const</argsstring>
         <name>num_decoys</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::num_decoys</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="120" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="120" bodyend="120"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="120" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="120" bodyend="120"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void next_active</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>next_active</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::next_active</qualifiedname>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ex</declname>
@@ -211,13 +225,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="122" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="122" bodyend="122"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="122" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="122" bodyend="122"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void next_decoy</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>next_decoy</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::next_decoy</qualifiedname>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ex</declname>
@@ -228,13 +243,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="123" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="123" bodyend="123"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="123" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="123" bodyend="123"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
@@ -243,13 +259,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="125" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="125" bodyend="125"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="125" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="125" bodyend="125"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -258,13 +275,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="126" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="126" bodyend="126"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="126" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="126" bodyend="126"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::BalancedExampleRefProvider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -273,13 +291,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="128" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="128" bodyend="128"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="128" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="128" bodyend="128"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -287,13 +306,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -306,13 +327,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -328,14 +350,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -344,13 +366,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -359,15 +382,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -375,51 +399,53 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>sample uniformly from actives and decoys </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>ExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
-      </node>
       <node id="1">
         <label>BalancedExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1BalancedExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>BalancedExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1BalancedExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>ExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="99" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="98" bodyend="129"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="98" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="99" bodyend="129"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c3c599a57ae155012056d9db86ad08d" prot="private" virt="non-virtual"><scope>libmolgrid::BalancedExampleRefProvider</scope><name>actives</name></member>
       <member refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::BalancedExampleRefProvider</scope><name>addref</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1CallbackIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1CallbackIndexTyper.xml
index f9fd4fc8..5dab947e 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1CallbackIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1CallbackIndexTyper.xml
@@ -1,30 +1,32 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1CallbackIndexTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::CallbackIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" prot="public" static="no">
         <type>std::function&lt; std::pair&lt; int, float &gt;(OpenBabel::OBAtom *a)&gt;</type>
-        <definition>using AtomIndexTyperFunc =  std::function&lt;std::pair&lt;int,float&gt;(OpenBabel::OBAtom* a)&gt;</definition>
+        <definition>using AtomIndexTyperFunc = std::function&lt;std::pair&lt;int,float&gt;(OpenBabel::OBAtom* a)&gt;</definition>
         <argsstring></argsstring>
         <name>AtomIndexTyperFunc</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::AtomIndexTyperFunc</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="273" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="273" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="273" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="273" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-attrib">
+    </sectiondef>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1CallbackIndexTyper_1a85777d903c8f114355617b3370b7903f" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref></type>
         <definition>AtomIndexTyperFunc callback</definition>
         <argsstring></argsstring>
         <name>callback</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::callback</qualifiedname>
         <initializer>= nullptr</initializer>
         <briefdescription>
         </briefdescription>
@@ -32,26 +34,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="276" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="276" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="276" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="276" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CallbackIndexTyper_1a358563efd1eb0ca5cafa36f3891b6c1d" prot="private" static="no" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt;std::string&gt; type_names</definition>
         <argsstring></argsstring>
         <name>type_names</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="277" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="277" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="277" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="277" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CallbackIndexTyper_1a7b801ee2a06101cb9459999adc6def0f" prot="private" static="no" mutable="no">
         <type>const float</type>
         <definition>const float default_radius</definition>
         <argsstring></argsstring>
         <name>default_radius</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::default_radius</qualifiedname>
         <initializer>= 1.6</initializer>
         <briefdescription>
         </briefdescription>
@@ -59,15 +63,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="278" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="278" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="278" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="278" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CallbackIndexTyper</definition>
         <argsstring>(AtomIndexTyperFunc f, unsigned ntypes, const std::vector&lt; std::string &gt; &amp;names=std::vector&lt; std::string &gt;())</argsstring>
         <name>CallbackIndexTyper</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::CallbackIndexTyper</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" kindref="member">AtomIndexTyperFunc</ref></type>
           <declname>f</declname>
@@ -88,13 +93,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="283" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="257" bodyend="260"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="283" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="257" bodyend="260"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -103,17 +109,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="286" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="286" bodyend="286"/>
-        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" compoundref="atom__typer_8h" startline="289" endline="294">CallbackIndexTyper::get_atom_type_index</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727" compoundref="atom__typer_8h" startline="297" endline="300">CallbackIndexTyper::get_int_type</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="305" endline="305">CallbackIndexTyper::get_type_radii</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="286" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="286" bodyend="286"/>
+        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" compoundref="atom__typer_8h" startline="289" endline="294">CallbackIndexTyper::get_atom_type_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" compoundref="atom__typer_8h" startline="297" endline="300">CallbackIndexTyper::get_int_type</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" compoundref="atom__typer_8h" startline="305" endline="305">CallbackIndexTyper::get_type_radii</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -125,14 +132,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="289" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="289" bodyend="294"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="289" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="289" bodyend="294"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -144,14 +152,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="297" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="297" bodyend="300"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="297" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="297" bodyend="300"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -159,14 +168,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="303" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="303" bodyend="303"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="303" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="303" bodyend="303"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplements>
+        <qualifiedname>libmolgrid::CallbackIndexTyper::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>if applicable to the typer, return the standard atomic radius of each type </para>
         </briefdescription>
@@ -174,13 +184,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="305" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="305" bodyend="305"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="305" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="305" bodyend="305"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -196,13 +207,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -210,15 +222,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -237,20 +250,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Use user-provided callback to do typing Must provide the number of types and their names. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      <node id="1">
+        <label>CallbackIndexTyper</label>
+        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
       </node>
       <node id="2">
         <label>AtomIndexTyper</label>
@@ -258,32 +273,30 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>CallbackIndexTyper</label>
         <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="2">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>CallbackIndexTyper</label>
-        <link refid="classlibmolgrid_1_1CallbackIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="271" column="47" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="271" bodyend="307"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="271" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="271" bodyend="307"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1CallbackIndexTyper_1aae8b96fe407c4b9b3d4d6488f382b579" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>AtomIndexTyperFunc</name></member>
@@ -291,11 +304,11 @@
       <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a85777d903c8f114355617b3370b7903f" prot="private" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>callback</name></member>
       <member refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>CallbackIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a7b801ee2a06101cb9459999adc6def0f" prot="private" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>default_radius</name></member>
-      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackIndexTyper</scope><name>set_names</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1CallbackVectorTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1CallbackVectorTyper.xml
index ed2c1c65..de169ee5 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1CallbackVectorTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1CallbackVectorTyper.xml
@@ -1,30 +1,32 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1CallbackVectorTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::CallbackVectorTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomVectorTyper" prot="public" virt="non-virtual">AtomVectorTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" prot="public" static="no">
         <type>std::function&lt; float(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;)&gt;</type>
-        <definition>using AtomVectorTyperFunc =  std::function&lt;float (OpenBabel::OBAtom* a, std::vector&lt;float&gt;&amp; )&gt;</definition>
+        <definition>using AtomVectorTyperFunc = std::function&lt;float (OpenBabel::OBAtom* a, std::vector&lt;float&gt;&amp; )&gt;</definition>
         <argsstring></argsstring>
         <name>AtomVectorTyperFunc</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::AtomVectorTyperFunc</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="442" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="442" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="442" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="442" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-attrib">
+    </sectiondef>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1CallbackVectorTyper_1afa96bcb44aab706b33c2456eb454eccf" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" kindref="member">AtomVectorTyperFunc</ref></type>
         <definition>AtomVectorTyperFunc callback</definition>
         <argsstring></argsstring>
         <name>callback</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::callback</qualifiedname>
         <initializer>= nullptr</initializer>
         <briefdescription>
         </briefdescription>
@@ -32,28 +34,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="445" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="445" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="445" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="445" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CallbackVectorTyper_1a358563efd1eb0ca5cafa36f3891b6c1d" prot="private" static="no" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt;std::string&gt; type_names</definition>
         <argsstring></argsstring>
         <name>type_names</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="446" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="446" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="446" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="446" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CallbackVectorTyper</definition>
         <argsstring>(AtomVectorTyperFunc f, unsigned ntypes, const std::vector&lt; std::string &gt; &amp;names=std::vector&lt; std::string &gt;())</argsstring>
         <name>CallbackVectorTyper</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::CallbackVectorTyper</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" kindref="member">AtomVectorTyperFunc</ref></type>
           <declname>f</declname>
@@ -74,13 +78,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="451" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="410" bodyend="413"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="451" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="410" bodyend="413"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -89,13 +94,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="454" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="454" bodyend="454"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="454" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="454" bodyend="454"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -112,28 +118,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="457" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="457" bodyend="457"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="457" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="457" bodyend="457"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::CallbackVectorTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="460" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="460" bodyend="460"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="460" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="460" bodyend="460"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const final</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -144,13 +152,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_vector_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_vector_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_vector_type_radii</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_vector_type_radii</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23">get_vector_type_radii</reimplementedby>
         <briefdescription>
 <para>return radii of types </para>
@@ -159,13 +168,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="89" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="89" bodyend="89"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="89" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="89" bodyend="89"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -173,23 +183,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_int_type</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -200,25 +211,25 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Use user-provided callback to do vector typing Must provide the number of types and their names. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>CallbackVectorTyper</label>
         <link refid="classlibmolgrid_1_1CallbackVectorTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
       <node id="2">
         <label>AtomVectorTyper</label>
         <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
@@ -227,16 +238,16 @@
       </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>CallbackVectorTyper</label>
         <link refid="classlibmolgrid_1_1CallbackVectorTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
       <node id="2">
         <label>AtomVectorTyper</label>
         <link refid="classlibmolgrid_1_1AtomVectorTyper"/>
@@ -244,18 +255,18 @@
         </childnode>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="440" column="49" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="440" bodyend="461"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="440" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="440" bodyend="461"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>AtomTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>AtomVectorTyper</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a44ce451816e206ba621e7bb85b8c3570" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>AtomVectorTyperFunc</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1afa96bcb44aab706b33c2456eb454eccf" prot="private" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>callback</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" prot="public" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>CallbackVectorTyper</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a831a48238388829d1fae97d002719674" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1CallbackVectorTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_vector_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>get_vector_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a358563efd1eb0ca5cafa36f3891b6c1d" prot="private" virt="non-virtual"><scope>libmolgrid::CallbackVectorTyper</scope><name>type_names</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1CartesianGrid.xml b/docs/cpp/xml/classlibmolgrid_1_1CartesianGrid.xml
index 123c042d..adb13d49 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1CartesianGrid.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1CartesianGrid.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1CartesianGrid" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::CartesianGrid</compoundname>
     <includes refid="cartesian__grid_8h" local="no">cartesian_grid.h</includes>
@@ -8,25 +8,27 @@
         <type>class G</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1CartesianGrid_1ad4d137a96ea58935d427760ad6b28742" prot="private" static="no" mutable="no">
         <type>G</type>
         <definition>G grid_</definition>
         <argsstring></argsstring>
         <name>grid_</name>
+        <qualifiedname>libmolgrid::CartesianGrid::grid_</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="22" column="7" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="22" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="22" column="7" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="22" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CartesianGrid_1a546c29bca4900c88a8e3274a4cc56664" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t dimensions[3]</definition>
         <argsstring>[3]</argsstring>
         <name>dimensions</name>
+        <qualifiedname>libmolgrid::CartesianGrid::dimensions</qualifiedname>
         <initializer>= {0,}</initializer>
         <briefdescription>
         </briefdescription>
@@ -34,13 +36,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="23" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="23" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="23" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="23" bodyend="23"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CartesianGrid_1a99accc8fa8fe9f2b1b71b26d2c133979" prot="private" static="no" mutable="no">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 center_</definition>
         <argsstring></argsstring>
         <name>center_</name>
+        <qualifiedname>libmolgrid::CartesianGrid::center_</qualifiedname>
         <initializer>= {0,}</initializer>
         <briefdescription>
         </briefdescription>
@@ -48,13 +51,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="24" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="24" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="24" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="24" bodyend="24"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CartesianGrid_1a622682dd155a8ca7b848248f8c8b8728" prot="private" static="no" mutable="no">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 origin_</definition>
         <argsstring></argsstring>
         <name>origin_</name>
+        <qualifiedname>libmolgrid::CartesianGrid::origin_</qualifiedname>
         <initializer>= {0,}</initializer>
         <briefdescription>
         </briefdescription>
@@ -62,13 +66,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="25" bodyend="25"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CartesianGrid_1a187648938394eeb3cd86f9a4ce13eeea" prot="private" static="no" mutable="no">
         <type>float</type>
         <definition>float resolution_</definition>
         <argsstring></argsstring>
         <name>resolution_</name>
+        <qualifiedname>libmolgrid::CartesianGrid::resolution_</qualifiedname>
         <initializer>= 0.0</initializer>
         <briefdescription>
         </briefdescription>
@@ -76,21 +81,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="26" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="26" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="26" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="26" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>CartesianGrid</definition>
         <argsstring>(const G &amp;g, float3 c, float res)</argsstring>
         <name>CartesianGrid</name>
+        <qualifiedname>libmolgrid::CartesianGrid::CartesianGrid</qualifiedname>
         <param>
           <type>const G &amp;</type>
           <declname>g</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>c</declname>
         </param>
         <param>
@@ -104,26 +110,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="29" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="29" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="29" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="29" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a06b7c8c6d4403b1427e3f8f148984d6a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>~CartesianGrid</definition>
         <argsstring>()</argsstring>
         <name>~CartesianGrid</name>
+        <qualifiedname>libmolgrid::CartesianGrid::~CartesianGrid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="38" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="38" bodyend="38"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="38" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="38" bodyend="38"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 center</definition>
         <argsstring>() const</argsstring>
         <name>center</name>
+        <qualifiedname>libmolgrid::CartesianGrid::center</qualifiedname>
         <briefdescription>
 <para>return center of grid </para>
         </briefdescription>
@@ -131,13 +139,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="41" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="41" bodyend="41"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="41" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="41" bodyend="41"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a90680a3e9859cab288318701395f6443" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>float</type>
         <definition>float resolution</definition>
         <argsstring>() const</argsstring>
         <name>resolution</name>
+        <qualifiedname>libmolgrid::CartesianGrid::resolution</qualifiedname>
         <briefdescription>
 <para>return resolution of grid </para>
         </briefdescription>
@@ -145,13 +154,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="43" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="43" bodyend="43"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="43" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="43" bodyend="43"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a101b62301de9d0e1cab373ae5a1aa9f0" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>G &amp;</type>
-        <definition>G&amp; grid</definition>
+        <definition>G &amp; grid</definition>
         <argsstring>()</argsstring>
         <name>grid</name>
+        <qualifiedname>libmolgrid::CartesianGrid::grid</qualifiedname>
         <briefdescription>
 <para>return underlying grid </para>
         </briefdescription>
@@ -159,26 +169,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="45" column="7" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="45" bodyend="45"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="45" column="7" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="45" bodyend="45"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const G &amp;</type>
-        <definition>const G&amp; grid</definition>
+        <definition>const G &amp; grid</definition>
         <argsstring>() const</argsstring>
         <name>grid</name>
+        <qualifiedname>libmolgrid::CartesianGrid::grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="46" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="46" bodyend="46"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="46" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="46" bodyend="46"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 cart2grid</definition>
         <argsstring>(float x, float y, float z) const</argsstring>
         <name>cart2grid</name>
+        <qualifiedname>libmolgrid::CartesianGrid::cart2grid</qualifiedname>
         <param>
           <type>float</type>
           <declname>x</declname>
@@ -198,13 +210,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="49" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="49" bodyend="52"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="49" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="49" bodyend="52"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 grid2cart</definition>
         <argsstring>(unsigned i, unsigned j, unsigned k) const</argsstring>
         <name>grid2cart</name>
+        <qualifiedname>libmolgrid::CartesianGrid::grid2cart</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>i</declname>
@@ -224,13 +237,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="55" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="55" bodyend="58"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="55" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="55" bodyend="58"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>G::type</type>
         <definition>G::type interpolate</definition>
         <argsstring>(size_t channel, float x, float y, float z) const</argsstring>
         <name>interpolate</name>
+        <qualifiedname>libmolgrid::CartesianGrid::interpolate</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>channel</declname>
@@ -254,23 +268,23 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="61" column="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="61" column="22"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Wrapper around grid of type G that imposes Cartesian coordinates. Includes center and resolution and supports (eventually) interpolation. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="21" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="21" bodyend="63"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="21" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="21" bodyend="63"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1CartesianGrid_1a144b75f1b21a1e9e702250d41a548f1c" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>cart2grid</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1a67baf7af9fe98f31529fd02ae673dcb9" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>CartesianGrid</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1a437464eaf145c5829daa0cbb90c95dee" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>center</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1a99accc8fa8fe9f2b1b71b26d2c133979" prot="private" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>center_</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1a546c29bca4900c88a8e3274a4cc56664" prot="private" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>dimensions</name></member>
-      <member refid="classlibmolgrid_1_1CartesianGrid_1a101b62301de9d0e1cab373ae5a1aa9f0" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid</name></member>
-      <member refid="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid</name></member>
+      <member refid="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid</name></member>
+      <member refid="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1ab7e803fb08ab8bab9b81c5bcd0639948" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid2cart</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1ad4d137a96ea58935d427760ad6b28742" prot="private" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>grid_</name></member>
       <member refid="classlibmolgrid_1_1CartesianGrid_1acfb03269ae382bdcc5f772a53fc3a73e" prot="public" virt="non-virtual"><scope>libmolgrid::CartesianGrid</scope><name>interpolate</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1CoordCache.xml b/docs/cpp/xml/classlibmolgrid_1_1CoordCache.xml
index dde1e124..65787fdb 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1CoordCache.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1CoordCache.xml
@@ -1,81 +1,87 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1CoordCache" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::CoordCache</compoundname>
     <includes refid="coord__cache_8h" local="no">coord_cache.h</includes>
-      <sectiondef kind="private-type">
-      <memberdef kind="typedef" id="classlibmolgrid_1_1CoordCache_1a26079d27843c58af8220e0d5d49e4056" prot="private" static="no">
+    <sectiondef kind="private-type">
+      <memberdef kind="typedef" id="classlibmolgrid_1_1CoordCache_1a353a0b494afe224341d8e89354d896e6" prot="private" static="no">
         <type>std::unordered_map&lt; const char *, <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &gt;</type>
-        <definition>using MemCache =  std::unordered_map&lt;const char*, CoordinateSet&gt;</definition>
+        <definition>using MemCache = std::unordered_map&lt;const char *, CoordinateSet&gt;</definition>
         <argsstring></argsstring>
         <name>MemCache</name>
+        <qualifiedname>libmolgrid::CoordCache::MemCache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="24" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="24" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="27" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="27" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-attrib">
+    </sectiondef>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1a5e74f976e6402517f21467ce965bd5ef" prot="private" static="no" mutable="no">
         <type>MemCache</type>
         <definition>MemCache memcache</definition>
         <argsstring></argsstring>
         <name>memcache</name>
+        <qualifiedname>libmolgrid::CoordCache::memcache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="25" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="28" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="28" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1af489b1d6f17e2bd12442449d6b0ca3bd" prot="private" static="no" mutable="no">
         <type>std::shared_ptr&lt; <ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref> &gt;</type>
         <definition>std::shared_ptr&lt;AtomTyper&gt; typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::CoordCache::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="26" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="26" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="29" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="29" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1abb743f7f7739cfa25cddacf8af4e88ad" prot="private" static="no" mutable="no">
         <type>std::string</type>
         <definition>std::string data_root</definition>
         <argsstring></argsstring>
         <name>data_root</name>
+        <qualifiedname>libmolgrid::CoordCache::data_root</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="27" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="27" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="30" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="30" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1ac78c3236bcb6d2c440bb97dc8b24f22e" prot="private" static="no" mutable="no">
         <type>std::string</type>
         <definition>std::string molcache</definition>
         <argsstring></argsstring>
         <name>molcache</name>
+        <qualifiedname>libmolgrid::CoordCache::molcache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="28" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="28" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="31" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="31" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1ae7232526e932edeec381ff9ec2eae547" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool use_cache</definition>
         <argsstring></argsstring>
         <name>use_cache</name>
+        <qualifiedname>libmolgrid::CoordCache::use_cache</qualifiedname>
         <initializer>= true</initializer>
         <briefdescription>
         </briefdescription>
@@ -83,13 +89,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="29" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="29" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="32" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="32" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1acbd9d097d09a1b9a03e798011313ca03" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool addh</definition>
         <argsstring></argsstring>
         <name>addh</name>
+        <qualifiedname>libmolgrid::CoordCache::addh</qualifiedname>
         <initializer>= true</initializer>
         <briefdescription>
         </briefdescription>
@@ -97,14 +104,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="30" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="30" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="33" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="33" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1aea8c668320e357453dc83820f452c993" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool make_vector_types</definition>
         <argsstring></argsstring>
         <name>make_vector_types</name>
-        <initializer>= false</initializer>
+        <qualifiedname>libmolgrid::CoordCache::make_vector_types</qualifiedname>
+        <initializer>                   =
+false</initializer>
         <briefdescription>
 <para>protonate </para>
         </briefdescription>
@@ -112,55 +121,59 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="31" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="31" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="34" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="34" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1aa6ddc769fa0c9b0505306497a9421d5b" prot="private" static="no" mutable="no">
         <type>boost::iostreams::mapped_file_source</type>
         <definition>boost::iostreams::mapped_file_source cache_map</definition>
         <argsstring></argsstring>
         <name>cache_map</name>
+        <qualifiedname>libmolgrid::CoordCache::cache_map</qualifiedname>
         <briefdescription>
-<para>convert index types to vector, will also convert to type based radii and add a dummy type </para>
         </briefdescription>
         <detaileddescription>
+<para>convert index types to vector, will also convert to type based radii and add a dummy type </para>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="34" column="42" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="39" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="39" bodyend="-1"/>
       </memberdef>
-      <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1a67d8a5ef81433ec9e7406661d0cfb85f" prot="private" static="no" mutable="no">
+      <memberdef kind="variable" id="classlibmolgrid_1_1CoordCache_1ad0fa9a24424779115ba16fd14c626c00" prot="private" static="no" mutable="no">
         <type>std::unordered_map&lt; const char *, size_t &gt;</type>
-        <definition>std::unordered_map&lt;const char*, size_t&gt; offsets</definition>
+        <definition>std::unordered_map&lt;const char *, size_t&gt; offsets</definition>
         <argsstring></argsstring>
         <name>offsets</name>
+        <qualifiedname>libmolgrid::CoordCache::offsets</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="35" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="35" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="41" column="7" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="41" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>CoordCache</definition>
         <argsstring>()</argsstring>
         <name>CoordCache</name>
+        <qualifiedname>libmolgrid::CoordCache::CoordCache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="38" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="38" bodyend="38"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="44" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="44" bodyend="44"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordCache</definition>
-        <argsstring>(std::shared_ptr&lt; AtomTyper &gt; t, const ExampleProviderSettings &amp;settings, const std::string &amp;mc=&quot;&quot;)</argsstring>
+        <argsstring>(std::shared_ptr&lt; AtomTyper &gt; t, const ExampleProviderSettings &amp;settings=ExampleProviderSettings(), const std::string &amp;mc=&quot;&quot;)</argsstring>
         <name>CoordCache</name>
+        <qualifiedname>libmolgrid::CoordCache::CoordCache</qualifiedname>
         <param>
           <type>std::shared_ptr&lt; <ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref> &gt;</type>
           <declname>t</declname>
@@ -168,6 +181,7 @@
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
+          <defval><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>()</defval>
         </param>
         <param>
           <type>const std::string &amp;</type>
@@ -180,26 +194,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="39" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/coord_cache.cpp" bodystart="25" bodyend="73"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="45" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" bodystart="25" bodyend="77"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>~CoordCache</definition>
         <argsstring>()</argsstring>
         <name>~CoordCache</name>
+        <qualifiedname>libmolgrid::CoordCache::~CoordCache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="41" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="41" bodyend="41"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="49" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="49" bodyend="49"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_coords</definition>
         <argsstring>(const char *fname, CoordinateSet &amp;coord)</argsstring>
         <name>set_coords</name>
+        <qualifiedname>libmolgrid::CoordCache::set_coords</qualifiedname>
         <param>
           <type>const char *</type>
           <declname>fname</declname>
@@ -233,13 +249,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="47" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/coord_cache.cpp" bodystart="76" bodyend="172"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="56" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" bodystart="80" bodyend="176"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::CoordCache::num_types</qualifiedname>
         <briefdescription>
 <para>return the number of types (channels) each example will have </para>
         </briefdescription>
@@ -247,42 +265,182 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="50" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="50" bodyend="50"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="59" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="59" bodyend="59"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::CoordCache::get_type_names</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="61" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="61" bodyend="63"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_cache</definition>
+        <argsstring>(std::ostream &amp;out) const</argsstring>
+        <name>save_mem_cache</name>
+        <qualifiedname>libmolgrid::CoordCache::save_mem_cache</qualifiedname>
+        <param>
+          <type>std::ostream &amp;</type>
+          <declname>out</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory cache to provided output stream. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">out</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>output stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="69" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" bodystart="178" bodyend="185"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" compoundref="coord__cache_8h" startline="74" endline="79">CoordCache::save_mem_cache</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" compoundref="coord__cache_8cpp" startline="178" endline="185">CoordCache::save_mem_cache</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_cache</definition>
+        <argsstring>(const std::string &amp;fname) const</argsstring>
+        <name>save_mem_cache</name>
+        <qualifiedname>libmolgrid::CoordCache::save_mem_cache</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory cache to provided file. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="74" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="74" bodyend="79"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_cache</definition>
+        <argsstring>(std::istream &amp;in)</argsstring>
+        <name>load_mem_cache</name>
+        <qualifiedname>libmolgrid::CoordCache::load_mem_cache</qualifiedname>
+        <param>
+          <type>std::istream &amp;</type>
+          <declname>in</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of input stream into memory cache. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">in</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>input stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="84" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" bodystart="188" bodyend="196"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" compoundref="coord__cache_8h" startline="88" endline="93">CoordCache::load_mem_cache</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" compoundref="coord__cache_8cpp" startline="188" endline="196">CoordCache::load_mem_cache</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_cache</definition>
+        <argsstring>(const std::string &amp;fname)</argsstring>
+        <name>load_mem_cache</name>
+        <qualifiedname>libmolgrid::CoordCache::load_mem_cache</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of provided file into memory cache. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="88" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="88" bodyend="93"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t mem_cache_size</definition>
+        <argsstring>() const</argsstring>
+        <name>mem_cache_size</name>
+        <qualifiedname>libmolgrid::CoordCache::mem_cache_size</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="52" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="52" bodyend="52"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="95" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="95" bodyend="97"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Load and cache molecular coordinates and atom types. </para>
     </briefdescription>
     <detaileddescription>
 <para>Precalculated molcache2 files are supported and are memory mapped for efficient memory usage when running multiple training runs. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" line="23" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="23" bodyend="53"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" line="26" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h" bodystart="26" bodyend="98"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1CoordCache_1acbd9d097d09a1b9a03e798011313ca03" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>addh</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1aa6ddc769fa0c9b0505306497a9421d5b" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>cache_map</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>CoordCache</name></member>
-      <member refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>CoordCache</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>CoordCache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1abb743f7f7739cfa25cddacf8af4e88ad" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>data_root</name></member>
-      <member refid="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>load_mem_cache</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>load_mem_cache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1aea8c668320e357453dc83820f452c993" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>make_vector_types</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>mem_cache_size</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a353a0b494afe224341d8e89354d896e6" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>MemCache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1a5e74f976e6402517f21467ce965bd5ef" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>memcache</name></member>
-      <member refid="classlibmolgrid_1_1CoordCache_1a26079d27843c58af8220e0d5d49e4056" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>MemCache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1ac78c3236bcb6d2c440bb97dc8b24f22e" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>molcache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>num_types</name></member>
-      <member refid="classlibmolgrid_1_1CoordCache_1a67d8a5ef81433ec9e7406661d0cfb85f" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1ad0fa9a24424779115ba16fd14c626c00" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>save_mem_cache</name></member>
+      <member refid="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>save_mem_cache</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" prot="public" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>set_coords</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1af489b1d6f17e2bd12442449d6b0ca3bd" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>typer</name></member>
       <member refid="classlibmolgrid_1_1CoordCache_1ae7232526e932edeec381ff9ec2eae547" prot="private" virt="non-virtual"><scope>libmolgrid::CoordCache</scope><name>use_cache</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ElementIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1ElementIndexTyper.xml
index 261a4c5c..ccc94ff0 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ElementIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ElementIndexTyper.xml
@@ -1,28 +1,30 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ElementIndexTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ElementIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ElementIndexTyper_1a40914b2099207404a2a1e7eda6ce6718" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned last_elem</definition>
         <argsstring></argsstring>
         <name>last_elem</name>
+        <qualifiedname>libmolgrid::ElementIndexTyper::last_elem</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="221" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="221" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="221" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="221" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ElementIndexTyper_1a7b801ee2a06101cb9459999adc6def0f" prot="private" static="no" mutable="no">
         <type>const float</type>
         <definition>const float default_radius</definition>
         <argsstring></argsstring>
         <name>default_radius</name>
+        <qualifiedname>libmolgrid::ElementIndexTyper::default_radius</qualifiedname>
         <initializer>= 1.6</initializer>
         <briefdescription>
         </briefdescription>
@@ -30,15 +32,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="222" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="222" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="222" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="222" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1ab9328295821875303f26d9c4774a931e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ElementIndexTyper</definition>
         <argsstring>(unsigned maxe=84)</argsstring>
         <name>ElementIndexTyper</name>
+        <qualifiedname>libmolgrid::ElementIndexTyper::ElementIndexTyper</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>maxe</declname>
@@ -50,26 +53,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="224" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="224" bodyend="224"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="224" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="224" bodyend="224"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1ad7d3c7e60575c6faecabaa600735bb75" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~ElementIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>~ElementIndexTyper</name>
+        <qualifiedname>libmolgrid::ElementIndexTyper::~ElementIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="225" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="225" bodyend="225"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="225" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="225" bodyend="225"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::ElementIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -78,14 +83,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="228" column="22" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="204" bodyend="206"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="228" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="204" bodyend="206"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1afa822a9ced021828013716b9b2e99670" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
         <definition>std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::ElementIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -97,14 +103,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="231" column="23" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="209" bodyend="214"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="231" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="209" bodyend="214"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
         <definition>std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::ElementIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -116,14 +123,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="234" column="23" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="217" bodyend="221"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="234" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="217" bodyend="221"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::ElementIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -131,14 +139,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="237" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="224" bodyend="231"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="237" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="224" bodyend="231"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplements>
+        <qualifiedname>libmolgrid::ElementIndexTyper::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>return atomic radius of each type, generic type is given zero radius </para>
         </briefdescription>
@@ -146,13 +155,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="240" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="234" bodyend="242"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="240" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="234" bodyend="242"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -168,13 +178,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -182,15 +193,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -209,11 +221,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Calculate element types. </para>
     </briefdescription>
@@ -221,10 +233,6 @@
 <para>There are quite a few elements, so should probably run this through an organic chem atom mapper that reduces to number of types. The type id is the atomic number. Any element with atomic number greater than or equal to the specified max is assigned type zero. </para>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>ElementIndexTyper</label>
         <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
@@ -237,12 +245,12 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="3">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>ElementIndexTyper</label>
         <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
@@ -255,8 +263,12 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="220" column="46" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="220" bodyend="241"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="220" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="220" bodyend="241"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::ElementIndexTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::ElementIndexTyper</scope><name>AtomTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ExampleDataset.xml b/docs/cpp/xml/classlibmolgrid_1_1ExampleDataset.xml
index f9af9fe0..0678d5a2 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ExampleDataset.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ExampleDataset.xml
@@ -1,55 +1,59 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ExampleDataset" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ExampleDataset</compoundname>
     <includes refid="example__dataset_8h" local="no">example_dataset.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleDataset_1ac052d871fcac9e679855543cc0fd72fd" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref></type>
         <definition>UniformExampleRefProvider provider</definition>
         <argsstring></argsstring>
         <name>provider</name>
+        <qualifiedname>libmolgrid::ExampleDataset::provider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="27" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="27" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="27" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="27" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleDataset_1a2fb8829b2e7a2a7ddd15f77963afe1af" prot="private" static="no" mutable="yes">
         <type><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref></type>
         <definition>ExampleExtractor extractor</definition>
         <argsstring></argsstring>
         <name>extractor</name>
+        <qualifiedname>libmolgrid::ExampleDataset::extractor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="28" column="30" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="28" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="28" column="30" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="28" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleDataset_1a3720a86fa37818f1974f5b1854beef4f" prot="private" static="no" mutable="no">
         <type><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref></type>
         <definition>ExampleProviderSettings init_settings</definition>
         <argsstring></argsstring>
         <name>init_settings</name>
+        <qualifiedname>libmolgrid::ExampleDataset::init_settings</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="29" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="29" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="29" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="29" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleDataset</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings=ExampleProviderSettings())</argsstring>
         <name>ExampleDataset</name>
+        <qualifiedname>libmolgrid::ExampleDataset::ExampleDataset</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -62,13 +66,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="35" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="15" bodyend="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="35" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="15" bodyend="22"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a665d391f6484d8613be1f50fc1a82b0d" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleDataset</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t)</argsstring>
         <name>ExampleDataset</name>
+        <qualifiedname>libmolgrid::ExampleDataset::ExampleDataset</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -85,13 +90,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="38" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="25" bodyend="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="38" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="25" bodyend="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1ae54328bb30fea9334dcd6630f5197184" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleDataset</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t1, std::shared_ptr&lt; AtomTyper &gt; t2)</argsstring>
         <name>ExampleDataset</name>
+        <qualifiedname>libmolgrid::ExampleDataset::ExampleDataset</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -111,13 +117,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="41" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="31" bodyend="35"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="41" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="31" bodyend="35"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1adce540f282d1ca6938ffe7c70c53ff4f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleDataset</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, const std::vector&lt; std::shared_ptr&lt; AtomTyper &gt; &gt; &amp;typrs, const std::vector&lt; std::string &gt; &amp;molcaches=std::vector&lt; std::string &gt;())</argsstring>
         <name>ExampleDataset</name>
+        <qualifiedname>libmolgrid::ExampleDataset::ExampleDataset</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -138,26 +145,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="44" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="37" bodyend="42"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="44" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="37" bodyend="42"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1ad38c22bd6d165cf0d195069279a30da9" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~ExampleDataset</definition>
         <argsstring>()</argsstring>
         <name>~ExampleDataset</name>
+        <qualifiedname>libmolgrid::ExampleDataset::~ExampleDataset</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="47" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="47" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="47" bodyend="47"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void populate</definition>
         <argsstring>(const std::string &amp;fname, int num_labels=-1)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleDataset::populate</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -174,13 +183,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="50" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="45" bodyend="50"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="50" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="45" bodyend="50"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void populate</definition>
         <argsstring>(const std::vector&lt; std::string &gt; &amp;fnames, int num_labels=-1)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleDataset::populate</qualifiedname>
         <param>
           <type>const std::vector&lt; std::string &gt; &amp;</type>
           <declname>fnames</declname>
@@ -197,13 +207,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="52" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="53" bodyend="60"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="52" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="53" bodyend="60"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a3cfefbb6aa29709d7db0bdaebb8c7338" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref></type>
         <definition>Example operator[]</definition>
         <argsstring>(size_t idx) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::ExampleDataset::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>idx</declname>
@@ -215,13 +226,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="55" column="13" bodyfile="/home/dkoes/git/libmolgrid/src/example_dataset.cpp" bodystart="62" bodyend="68"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="55" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp" bodystart="62" bodyend="68"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::ExampleDataset::num_labels</qualifiedname>
         <briefdescription>
 <para>return number of labels for each example (computed from first example only) </para>
         </briefdescription>
@@ -229,14 +241,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="58" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="58" bodyend="58"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="58" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="58" bodyend="58"/>
         <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" compoundref="example__dataset_8cpp" startline="53" endline="60">ExampleDataset::populate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
-        <definition>const ExampleProviderSettings&amp; settings</definition>
+        <definition>const ExampleProviderSettings &amp; settings</definition>
         <argsstring>() const</argsstring>
         <name>settings</name>
+        <qualifiedname>libmolgrid::ExampleDataset::settings</qualifiedname>
         <briefdescription>
 <para>return settings created with </para>
         </briefdescription>
@@ -244,13 +258,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="61" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="61" bodyend="61"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="61" column="35" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="61" bodyend="61"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1adce540f282d1ca6938ffe7c70c53ff4f" compoundref="example__dataset_8cpp" startline="37" endline="42">ExampleDataset::ExampleDataset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1a665d391f6484d8613be1f50fc1a82b0d" compoundref="example__dataset_8cpp" startline="25" endline="29">ExampleDataset::ExampleDataset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1ae54328bb30fea9334dcd6630f5197184" compoundref="example__dataset_8cpp" startline="31" endline="35">ExampleDataset::ExampleDataset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" compoundref="example__dataset_8cpp" startline="15" endline="22">ExampleDataset::ExampleDataset</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::ExampleDataset::num_types</qualifiedname>
         <briefdescription>
 <para>number of types </para>
         </briefdescription>
@@ -258,13 +277,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="64" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="64" bodyend="64"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="64" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="64" bodyend="64"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::ExampleDataset::get_type_names</qualifiedname>
         <briefdescription>
 <para>names of types (requires explicit typing) </para>
         </briefdescription>
@@ -272,13 +292,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="66" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="66" bodyend="66"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="66" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="66" bodyend="66"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ExampleDataset::size</qualifiedname>
         <briefdescription>
 <para>return number of examples </para>
         </briefdescription>
@@ -286,22 +307,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="68" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="68" bodyend="68"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="68" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="68" bodyend="68"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Given a file of examples, provide a &quot;mappable&quot; interface. Although this is configured with <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>, settings that configure iteration over the dataset are ignored. It is up to the user to access the data as they see fit. Note that cache_structs is true by default which will load the entirety of the dataset into memory. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" line="26" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="26" bodyend="69"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" line="26" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h" bodystart="26" bodyend="69"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>ExampleDataset</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1a665d391f6484d8613be1f50fc1a82b0d" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>ExampleDataset</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1ae54328bb30fea9334dcd6630f5197184" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>ExampleDataset</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1adce540f282d1ca6938ffe7c70c53ff4f" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>ExampleDataset</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1a2fb8829b2e7a2a7ddd15f77963afe1af" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>extractor</name></member>
-      <member refid="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1ExampleDataset_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1a3720a86fa37818f1974f5b1854beef4f" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>init_settings</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" virt="virtual"><scope>libmolgrid::ExampleDataset</scope><name>num_labels</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>num_types</name></member>
@@ -309,7 +330,7 @@
       <member refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" prot="public" virt="virtual"><scope>libmolgrid::ExampleDataset</scope><name>populate</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" prot="public" virt="virtual"><scope>libmolgrid::ExampleDataset</scope><name>populate</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1ac052d871fcac9e679855543cc0fd72fd" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>provider</name></member>
-      <member refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>settings</name></member>
+      <member refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>settings</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleDataset</scope><name>size</name></member>
       <member refid="classlibmolgrid_1_1ExampleDataset_1ad38c22bd6d165cf0d195069279a30da9" prot="public" virt="virtual"><scope>libmolgrid::ExampleDataset</scope><name>~ExampleDataset</name></member>
     </listofallmembers>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ExampleExtractor.xml b/docs/cpp/xml/classlibmolgrid_1_1ExampleExtractor.xml
index be8bce0c..caeaf267 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ExampleExtractor.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ExampleExtractor.xml
@@ -1,27 +1,29 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ExampleExtractor" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ExampleExtractor</compoundname>
     <includes refid="example__extractor_8h" local="no">example_extractor.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleExtractor_1a54c779513bcd7e412018cbe0bf0321ff" prot="private" static="no" mutable="no">
         <type>std::vector&lt; <ref refid="classlibmolgrid_1_1CoordCache" kindref="compound">CoordCache</ref> &gt;</type>
         <definition>std::vector&lt;CoordCache&gt; coord_caches</definition>
         <argsstring></argsstring>
         <name>coord_caches</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::coord_caches</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" line="34" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="34" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="34" bodyend="-1"/>
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         <type>bool</type>
         <definition>bool duplicate_poses</definition>
         <argsstring></argsstring>
         <name>duplicate_poses</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::duplicate_poses</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -29,15 +31,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="35" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="35" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-func">
+    </sectiondef>
+    <sectiondef kind="private-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a5421a698349e82ca0640e45fa6d35429" prot="private" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t count_types</definition>
         <argsstring>(unsigned n) const</argsstring>
         <name>count_types</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::count_types</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>n</declname>
@@ -48,15 +51,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="37" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="58" bodyend="72"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1ab7d66331e008ab169c9db0f34d441187" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleExtractor</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t)</argsstring>
         <name>ExampleExtractor</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::ExampleExtractor</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -71,13 +75,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="40" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="40" bodyend="42"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a553fedda20a9ad9f854140456750e118" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleExtractor</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t1, std::shared_ptr&lt; AtomTyper &gt; t2)</argsstring>
         <name>ExampleExtractor</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::ExampleExtractor</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -96,13 +101,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="44" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="44" bodyend="47"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a53ec0aa6cb7614769917a652f98302bf" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleExtractor</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, const std::vector&lt; std::shared_ptr&lt; AtomTyper &gt; &gt; &amp;typrs, std::vector&lt; std::string &gt; molcaches=std::vector&lt; std::string &gt;())</argsstring>
         <name>ExampleExtractor</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::ExampleExtractor</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -123,26 +129,28 @@
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         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" line="51" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="51" bodyend="73"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="51" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="51" bodyend="73"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~ExampleExtractor</definition>
         <argsstring>()</argsstring>
         <name>~ExampleExtractor</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::~ExampleExtractor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" line="75" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="75" bodyend="75"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="75" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="75" bodyend="75"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void extract</definition>
         <argsstring>(const ExampleRef &amp;ref, Example &amp;ex)</argsstring>
         <name>extract</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::extract</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ref</declname>
@@ -158,16 +166,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9" compoundref="example__provider_8cpp" startline="70" endline="74">ExampleProvider::next</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" compoundref="example__provider_8cpp" startline="77" endline="90">ExampleProvider::next_batch</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1a3cfefbb6aa29709d7db0bdaebb8c7338" compoundref="example__dataset_8cpp" startline="62" endline="68">ExampleDataset::operator[]</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="78" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="21" bodyend="55"/>
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         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::num_types</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -175,15 +181,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" compoundref="example__dataset_8h" startline="64" endline="64">ExampleDataset::num_types</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" compoundref="example__provider_8h" startline="136" endline="136">ExampleProvider::num_types</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="83" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="73" bodyend="75"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>(const ExampleRef &amp;ref) const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::num_types</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ref</declname>
@@ -194,13 +199,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="86" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="77" bodyend="79"/>
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         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::get_type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -208,18 +214,148 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" line="90" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/example_extractor.cpp" bodystart="77" bodyend="86"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" compoundref="example__dataset_8h" startline="66" endline="66">ExampleDataset::get_type_names</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" compoundref="example__provider_8h" startline="138" endline="138">ExampleProvider::get_type_names</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="90" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="81" bodyend="90"/>
       </memberdef>
-      </sectiondef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_caches</definition>
+        <argsstring>(std::ostream &amp;out) const</argsstring>
+        <name>save_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::save_mem_caches</qualifiedname>
+        <param>
+          <type>std::ostream &amp;</type>
+          <declname>out</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory caches to provided output stream. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">out</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>output stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="96" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="92" bodyend="96"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" compoundref="example__extractor_8h" startline="101" endline="106">ExampleExtractor::save_mem_caches</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_caches</definition>
+        <argsstring>(const std::string &amp;fname) const</argsstring>
+        <name>save_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::save_mem_caches</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory caches to provided file. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="101" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="101" bodyend="106"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_caches</definition>
+        <argsstring>(std::istream &amp;in)</argsstring>
+        <name>load_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::load_mem_caches</qualifiedname>
+        <param>
+          <type>std::istream &amp;</type>
+          <declname>in</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of input stream into memory caches. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">in</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>input stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="111" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="98" bodyend="102"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" compoundref="example__extractor_8h" startline="115" endline="120">ExampleExtractor::load_mem_caches</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_caches</definition>
+        <argsstring>(const std::string &amp;fname)</argsstring>
+        <name>load_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::load_mem_caches</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of provided file into memory caches. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="115" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="115" bodyend="120"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t mem_caches_size</definition>
+        <argsstring>() const</argsstring>
+        <name>mem_caches_size</name>
+        <qualifiedname>libmolgrid::ExampleExtractor::mem_caches_size</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="122" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp" bodystart="104" bodyend="110"/>
+      </memberdef>
+    </sectiondef>
     <briefdescription>
 <para>Converts an <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> to and <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> Loads (potentially cached) data and applies atom typers to create coordinate sets. Takes care of in-memory caching (optional) and also supports memory mapped gnina cache files (incurring slight overhead on recalculation of atom types in exchange for substantially less real mem usage). </para>
     </briefdescription>
     <detaileddescription>
 <para>Can take multiple atom typers, in which case they are applied in order, with the last being repeated. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" line="32" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="32" bodyend="91"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" line="32" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h" bodystart="32" bodyend="123"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a54c779513bcd7e412018cbe0bf0321ff" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>coord_caches</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a5421a698349e82ca0640e45fa6d35429" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>count_types</name></member>
@@ -229,8 +365,13 @@
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a53ec0aa6cb7614769917a652f98302bf" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>ExampleExtractor</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" prot="public" virt="virtual"><scope>libmolgrid::ExampleExtractor</scope><name>extract</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="virtual"><scope>libmolgrid::ExampleExtractor</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>load_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>load_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>mem_caches_size</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" virt="virtual"><scope>libmolgrid::ExampleExtractor</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" prot="public" virt="virtual"><scope>libmolgrid::ExampleExtractor</scope><name>num_types</name></member>
+      <member refid="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>save_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleExtractor</scope><name>save_mem_caches</name></member>
       <member refid="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157" prot="public" virt="virtual"><scope>libmolgrid::ExampleExtractor</scope><name>~ExampleExtractor</name></member>
     </listofallmembers>
   </compounddef>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ExampleProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1ExampleProvider.xml
index 0eea5049..e5f26719 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ExampleProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ExampleProvider.xml
@@ -1,53 +1,57 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ExampleProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ExampleProvider</compoundname>
     <includes refid="example__provider_8h" local="no">example_provider.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleProvider_1a1ec12f6bc38d48f2ebd31cd136d7ce07" prot="private" static="no" mutable="no">
         <type>std::shared_ptr&lt; <ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref> &gt;</type>
         <definition>std::shared_ptr&lt;ExampleRefProvider&gt; provider</definition>
         <argsstring></argsstring>
         <name>provider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::provider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="30" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="30" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="31" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="31" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleProvider_1a2fb8829b2e7a2a7ddd15f77963afe1af" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref></type>
         <definition>ExampleExtractor extractor</definition>
         <argsstring></argsstring>
         <name>extractor</name>
+        <qualifiedname>libmolgrid::ExampleProvider::extractor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="31" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="31" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="32" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="32" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleProvider_1a3720a86fa37818f1974f5b1854beef4f" prot="private" static="no" mutable="no">
         <type><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref></type>
         <definition>ExampleProviderSettings init_settings</definition>
         <argsstring></argsstring>
         <name>init_settings</name>
+        <qualifiedname>libmolgrid::ExampleProvider::init_settings</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="32" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="32" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="33" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="33" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleProvider_1a5a204a763731fc6af022857da52a4d64" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t last_epoch</definition>
         <argsstring></argsstring>
         <name>last_epoch</name>
+        <qualifiedname>libmolgrid::ExampleProvider::last_epoch</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -55,15 +59,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="33" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="33" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="34" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="34" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>std::shared_ptr&lt; <ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref> &gt;</type>
         <definition>std::shared_ptr&lt; ExampleRefProvider &gt; createProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings)</argsstring>
         <name>createProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::createProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -75,15 +80,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="38" column="28" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="100" bodyend="212"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="39" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="100" bodyend="212"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" compoundref="example__provider_8cpp" startline="37" endline="42">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250" compoundref="example__provider_8cpp" startline="25" endline="29">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7" compoundref="example__provider_8cpp" startline="31" endline="35">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" compoundref="example__provider_8cpp" startline="15" endline="22">ExampleProvider::ExampleProvider</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings=ExampleProviderSettings())</argsstring>
         <name>ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::ExampleProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -96,13 +106,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="41" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="15" bodyend="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="42" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="15" bodyend="22"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t)</argsstring>
         <name>ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::ExampleProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -118,13 +129,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="44" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="25" bodyend="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="46" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="25" bodyend="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, std::shared_ptr&lt; AtomTyper &gt; t1, std::shared_ptr&lt; AtomTyper &gt; t2)</argsstring>
         <name>ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::ExampleProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -144,13 +156,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="47" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="31" bodyend="35"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="50" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="31" bodyend="35"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, const std::vector&lt; std::shared_ptr&lt; AtomTyper &gt; &gt; &amp;typrs, const std::vector&lt; std::string &gt; &amp;molcaches=std::vector&lt; std::string &gt;())</argsstring>
         <name>ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::ExampleProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -171,13 +184,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="50" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="37" bodyend="42"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="54" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="37" bodyend="42"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a3066f4feae60e7344e861b8560c13c2e" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleProvider</definition>
         <argsstring>(std::shared_ptr&lt; ExampleRefProvider &gt; p, const ExampleExtractor &amp;e)</argsstring>
         <name>ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::ExampleProvider</qualifiedname>
         <param>
           <type>std::shared_ptr&lt; <ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref> &gt;</type>
           <declname>p</declname>
@@ -193,26 +207,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="54" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="45" bodyend="49"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="60" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="45" bodyend="49"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~ExampleProvider</definition>
         <argsstring>()</argsstring>
         <name>~ExampleProvider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::~ExampleProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="55" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="55" bodyend="55"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="62" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="62" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void populate</definition>
         <argsstring>(const std::string &amp;fname, int num_labels=-1)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleProvider::populate</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -229,13 +245,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="58" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="52" bodyend="57"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="65" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="52" bodyend="57"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void populate</definition>
         <argsstring>(const std::vector&lt; std::string &gt; &amp;fnames, int num_labels=-1)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleProvider::populate</qualifiedname>
         <param>
           <type>const std::vector&lt; std::string &gt; &amp;</type>
           <declname>fnames</declname>
@@ -252,28 +269,31 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="60" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="60" bodyend="67"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="67" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="60" bodyend="67"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::ExampleProvider::num_labels</qualifiedname>
         <briefdescription>
-<para>return number of labels for each example (computed from first example only) </para>
         </briefdescription>
         <detaileddescription>
+<para>return number of labels for each example (computed from first example only) </para>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="63" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="63" bodyend="63"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="72" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="72" bodyend="72"/>
         <referencedby refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__provider_8cpp" startline="52" endline="57">ExampleProvider::populate</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe" compoundref="example__provider_8cpp" startline="60" endline="67">ExampleProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void next</definition>
         <argsstring>(Example &amp;ex)</argsstring>
         <name>next</name>
+        <qualifiedname>libmolgrid::ExampleProvider::next</qualifiedname>
         <param>
           <type><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &amp;</type>
           <declname>ex</declname>
@@ -285,27 +305,29 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="66" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="70" bodyend="74"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="75" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="70" bodyend="74"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref></type>
         <definition>virtual Example next</definition>
         <argsstring>()</argsstring>
         <name>next</name>
+        <qualifiedname>libmolgrid::ExampleProvider::next</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="67" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="67" bodyend="67"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" compoundref="example__provider_8h" startline="67" endline="67">ExampleProvider::next</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="76" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="76" bodyend="80"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" compoundref="example__provider_8h" startline="76" endline="80">ExampleProvider::next</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleProvider::get_small_epoch_num</qualifiedname>
         <briefdescription>
 <para>Return current small epoch number A small epoch occurs once every training example has been seen at MOST once. For example, when providing a balanced view of unbalanced data, a small epoch will complete once the less common class has been iterated over. Note this is the epoch of the next example to be provided, not the previous. </para>
         </briefdescription>
@@ -313,13 +335,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="76" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="76" bodyend="76"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="90" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="90" bodyend="92"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleProvider::get_large_epoch_num</qualifiedname>
         <briefdescription>
 <para>Return current large epoch number A large epoch occurs once every training example has been seen at LEAST once. For example, when providing a balanced view of unbalanced data, a large epoch will complete once the more common class has been iterated over. Note this is the epoch of the next example to be provided, not the previous. </para>
         </briefdescription>
@@ -327,13 +350,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="85" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="85" bodyend="85"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="102" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="102" bodyend="104"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::ExampleProvider::small_epoch_size</qualifiedname>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
         </briefdescription>
@@ -341,13 +365,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="88" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="88" bodyend="88"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="107" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="107" bodyend="109"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::ExampleProvider::large_epoch_size</qualifiedname>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
         </briefdescription>
@@ -355,13 +380,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="91" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="91" bodyend="91"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="112" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="112" bodyend="114"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::ExampleProvider::reset</qualifiedname>
         <briefdescription>
 <para>Reset to beginning. </para>
         </briefdescription>
@@ -369,13 +395,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="94" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="94" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="117" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="117" bodyend="117"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void skip</definition>
         <argsstring>(unsigned n)</argsstring>
         <name>skip</name>
+        <qualifiedname>libmolgrid::ExampleProvider::skip</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>n</declname>
@@ -387,13 +414,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="97" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="92" bodyend="97"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="120" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="92" bodyend="97"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
-        <definition>const ExampleProviderSettings&amp; settings</definition>
+        <definition>const ExampleProviderSettings &amp; settings</definition>
         <argsstring>() const</argsstring>
         <name>settings</name>
+        <qualifiedname>libmolgrid::ExampleProvider::settings</qualifiedname>
         <briefdescription>
 <para>return settings created with </para>
         </briefdescription>
@@ -401,14 +429,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="100" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="100" bodyend="100"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="123" column="33" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="123" bodyend="123"/>
         <referencedby refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" compoundref="example__provider_8cpp" startline="100" endline="212">ExampleProvider::createProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" compoundref="example__provider_8cpp" startline="37" endline="42">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250" compoundref="example__provider_8cpp" startline="25" endline="29">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7" compoundref="example__provider_8cpp" startline="31" endline="35">ExampleProvider::ExampleProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" compoundref="example__provider_8cpp" startline="15" endline="22">ExampleProvider::ExampleProvider</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void next_batch</definition>
         <argsstring>(std::vector&lt; Example &gt; &amp;ex, unsigned batch_size=0)</argsstring>
         <name>next_batch</name>
+        <qualifiedname>libmolgrid::ExampleProvider::next_batch</qualifiedname>
         <param>
           <type>std::vector&lt; <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &gt; &amp;</type>
           <declname>ex</declname>
@@ -425,33 +458,35 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="103" column="18" bodyfile="/home/dkoes/git/libmolgrid/src/example_provider.cpp" bodystart="77" bodyend="90"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" compoundref="example__provider_8h" startline="106" endline="110">ExampleProvider::next_batch</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="125" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp" bodystart="77" bodyend="90"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" compoundref="example__provider_8h" startline="129" endline="133">ExampleProvider::next_batch</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &gt;</type>
-        <definition>virtual std::vector&lt;Example&gt; next_batch</definition>
+        <definition>virtual std::vector&lt; Example &gt; next_batch</definition>
         <argsstring>(unsigned batch_size=0)</argsstring>
         <name>next_batch</name>
+        <qualifiedname>libmolgrid::ExampleProvider::next_batch</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>batch_size</declname>
           <defval>0</defval>
         </param>
         <briefdescription>
-<para>provide a batch of examples, unspecified or 0 batch_size uses default batch size </para>
         </briefdescription>
         <detaileddescription>
+<para>provide a batch of examples, unspecified or 0 batch_size uses default batch size </para>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="106" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="106" bodyend="110"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="129" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="129" bodyend="133"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool at_new_epoch</definition>
         <argsstring>()</argsstring>
         <name>at_new_epoch</name>
+        <qualifiedname>libmolgrid::ExampleProvider::at_new_epoch</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -459,39 +494,42 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="115" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="115" bodyend="130"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="138" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="138" bodyend="153"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a23ca85aec357cd4b99a3ed80b70ffed7" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref> &amp;</type>
-        <definition>ExampleExtractor&amp; get_extractor</definition>
+        <definition>ExampleExtractor &amp; get_extractor</definition>
         <argsstring>()</argsstring>
         <name>get_extractor</name>
+        <qualifiedname>libmolgrid::ExampleProvider::get_extractor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="132" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="132" bodyend="132"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="155" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="155" bodyend="155"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref> &amp;</type>
-        <definition>ExampleRefProvider&amp; get_provider</definition>
+        <definition>ExampleRefProvider &amp; get_provider</definition>
         <argsstring>()</argsstring>
         <name>get_provider</name>
+        <qualifiedname>libmolgrid::ExampleProvider::get_provider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="133" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="133" bodyend="133"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="156" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="156" bodyend="156"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::ExampleProvider::num_types</qualifiedname>
         <briefdescription>
 <para>number of types </para>
         </briefdescription>
@@ -499,13 +537,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="136" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="136" bodyend="136"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="159" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="159" bodyend="159"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::ExampleProvider::get_type_names</qualifiedname>
         <briefdescription>
 <para>names of types (requires explicit typing) </para>
         </briefdescription>
@@ -513,13 +552,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="138" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="138" bodyend="138"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="161" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="161" bodyend="163"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ExampleProvider::size</qualifiedname>
         <briefdescription>
 <para>return number of examples </para>
         </briefdescription>
@@ -527,16 +567,146 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="140" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="140" bodyend="140"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="165" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="165" bodyend="165"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_caches</definition>
+        <argsstring>(std::ostream &amp;out) const</argsstring>
+        <name>save_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleProvider::save_mem_caches</qualifiedname>
+        <param>
+          <type>std::ostream &amp;</type>
+          <declname>out</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory caches to provided output stream. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">out</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>output stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="171" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="171" bodyend="173"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void save_mem_caches</definition>
+        <argsstring>(const std::string &amp;fname) const</argsstring>
+        <name>save_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleProvider::save_mem_caches</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Write out current contents of memory caches to provided file. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="178" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="178" bodyend="180"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_caches</definition>
+        <argsstring>(std::istream &amp;in)</argsstring>
+        <name>load_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleProvider::load_mem_caches</qualifiedname>
+        <param>
+          <type>std::istream &amp;</type>
+          <declname>in</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of input stream into memory caches. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">in</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>input stream </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="185" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="185" bodyend="185"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void load_mem_caches</definition>
+        <argsstring>(const std::string &amp;fname)</argsstring>
+        <name>load_mem_caches</name>
+        <qualifiedname>libmolgrid::ExampleProvider::load_mem_caches</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+<para>Read contents of provided file into memory caches. </para>
+        </briefdescription>
+        <detaileddescription>
+<para><parameterlist kind="param"><parameteritem>
+<parameternamelist>
+<parametername direction="in">fname</parametername>
+</parameternamelist>
+<parameterdescription>
+<para>file name </para>
+</parameterdescription>
+</parameteritem>
+</parameterlist>
+</para>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="189" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="189" bodyend="189"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t mem_caches_size</definition>
+        <argsstring>() const</argsstring>
+        <name>mem_caches_size</name>
+        <qualifiedname>libmolgrid::ExampleProvider::mem_caches_size</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="191" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="191" bodyend="191"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Given a file of examples, provide <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> classes one at a time This contains an <ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>, which can be configured using a single settings object if so desired, and an example extractor. Note that cache_structs is true by default which will load the entirety of the dataset into memory. </para>
     </briefdescription>
     <detaileddescription>
 <para>An example files contains a single example on each line where an example consists of some number of numerical labels (num_labels, will be auto-detected if not specified) followed by file paths to molecular data, all space separated. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" line="29" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h" bodystart="29" bodyend="141"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" line="30" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h" bodystart="30" bodyend="192"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>at_new_epoch</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>createProvider</name></member>
@@ -546,25 +716,30 @@
       <member refid="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>ExampleProvider</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a3066f4feae60e7344e861b8560c13c2e" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>ExampleProvider</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a2fb8829b2e7a2a7ddd15f77963afe1af" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>extractor</name></member>
-      <member refid="classlibmolgrid_1_1ExampleProvider_1a23ca85aec357cd4b99a3ed80b70ffed7" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_extractor</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_extractor</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_large_epoch_num</name></member>
-      <member refid="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_provider</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_provider</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_small_epoch_num</name></member>
-      <member refid="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a3720a86fa37818f1974f5b1854beef4f" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>init_settings</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>large_epoch_size</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a5a204a763731fc6af022857da52a4d64" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>last_epoch</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>load_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>load_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>mem_caches_size</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>next</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>next</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>next_batch</name></member>
-      <member refid="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>next_batch</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>next_batch</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>num_labels</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>populate</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>populate</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a1ec12f6bc38d48f2ebd31cd136d7ce07" prot="private" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>provider</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>reset</name></member>
-      <member refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>settings</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>save_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>save_mem_caches</name></member>
+      <member refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>settings</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleProvider</scope><name>size</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>skip</name></member>
       <member refid="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" virt="virtual"><scope>libmolgrid::ExampleProvider</scope><name>small_epoch_size</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1ExampleRefProvider.xml
index 3d9f33d8..a75f16e2 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ExampleRefProvider.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ExampleRefProvider" kind="class" language="C++" prot="public" abstract="yes">
     <compoundname>libmolgrid::ExampleRefProvider</compoundname>
     <derivedcompoundref refid="classlibmolgrid_1_1BalancedExampleRefProvider" prot="public" virt="non-virtual">BalancedExampleRefProvider</derivedcompoundref>
@@ -9,12 +9,13 @@
     <derivedcompoundref refid="classlibmolgrid_1_1UniformExampleRefProvider" prot="public" virt="non-virtual">UniformExampleRefProvider</derivedcompoundref>
     <derivedcompoundref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" prot="public" virt="non-virtual">ValueStratifiedExampleRefProfider&lt; Provider &gt;</derivedcompoundref>
     <includes refid="exampleref__providers_8h" local="no">exampleref_providers.h</includes>
-      <sectiondef kind="protected-attrib">
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -22,40 +23,50 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>ExampleRefProvider</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::ExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="28" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="28" bodyend="28"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="28" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="28" bodyend="28"/>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08" compoundref="exampleref__providers_8h" startline="107" endline="110">BalancedExampleRefProvider::BalancedExampleRefProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b" compoundref="exampleref__providers_8h" startline="470" endline="475">GroupedExampleRefProvider&lt; Provider &gt;::GroupedExampleRefProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b" compoundref="exampleref__providers_8h" startline="206" endline="209">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::ReceptorStratifiedExampleRefProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234" compoundref="exampleref__providers_8h" startline="143" endline="145">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::SamplingExampleRefProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" compoundref="exampleref__providers_8h" startline="74" endline="76">UniformExampleRefProvider::UniformExampleRefProvider</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558" compoundref="exampleref__providers_8h" startline="340" endline="358">ValueStratifiedExampleRefProfider&lt; Provider &gt;::ValueStratifiedExampleRefProfider</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ae32c6ad6aeaeba0d2d2ab74a48a553b5" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings)</argsstring>
         <name>ExampleRefProvider</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::ExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -66,19 +77,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="29" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="29" bodyend="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="29" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="29" bodyend="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" prot="public" static="no" const="no" explicit="no" inline="no" virt="pure-virtual">
         <type>void</type>
         <definition>virtual void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)=0</argsstring>
         <name>addref</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::addref</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a">addref</reimplementedby>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ex</declname>
@@ -89,40 +101,43 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="30" column="18"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="30" column="18"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c" prot="public" static="no" const="no" explicit="no" inline="no" virt="pure-virtual">
         <type>void</type>
         <definition>virtual void setup</definition>
         <argsstring>()=0</argsstring>
         <name>setup</name>
-        <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::setup</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d">setup</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="31" column="18"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="31" column="18"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423" prot="public" static="no" const="no" explicit="no" inline="no" virt="pure-virtual">
         <type>void</type>
         <definition>virtual void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)=0</argsstring>
         <name>nextref</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::nextref</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934">nextref</reimplementedby>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
           <declname>ex</declname>
@@ -133,45 +148,49 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="32" column="18"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="32" column="18"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>unsigned</type>
         <definition>virtual unsigned size</definition>
         <argsstring>() const =0</argsstring>
         <name>size</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70">size</reimplementedby>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="33" column="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="33" column="22"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a6dab7933abd006833437122f78468007" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~ExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>~ExampleRefProvider</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::~ExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="34" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="34" bodyend="34"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="34" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="34" bodyend="34"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -179,13 +198,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -198,19 +219,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const =0</argsstring>
         <name>num_labels</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::num_labels</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e">num_labels</reimplementedby>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
         </briefdescription>
@@ -219,13 +241,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="39" column="20"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="39" column="20"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -241,14 +264,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -257,13 +280,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -272,19 +296,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
         <type>size_t</type>
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const =0</argsstring>
         <name>small_epoch_size</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d">small_epoch_size</reimplementedby>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
         </briefdescription>
@@ -292,7 +317,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="50" column="20"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="50" column="20"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
@@ -300,12 +325,13 @@
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const =0</argsstring>
         <name>large_epoch_size</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395">large_epoch_size</reimplementedby>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
         </briefdescription>
@@ -313,7 +339,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="53" column="20"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="53" column="20"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1" prot="public" static="no" const="no" explicit="no" inline="no" virt="pure-virtual">
@@ -321,12 +347,13 @@
         <definition>virtual void reset</definition>
         <argsstring>()=0</argsstring>
         <name>reset</name>
-        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
+        <qualifiedname>libmolgrid::ExampleRefProvider::reset</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d">reset</reimplementedby>
         <briefdescription>
 <para>Reset iterators to start. </para>
         </briefdescription>
@@ -334,34 +361,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="56" column="18"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="56" column="18"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>abstract class for storing training example references </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>GroupedExampleRefProvider&lt; Provider &gt;</label>
-        <link refid="classlibmolgrid_1_1GroupedExampleRefProvider"/>
-        <childnode refid="1" relation="public-inheritance">
-        </childnode>
-      </node>
       <node id="1">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
-      <node id="7">
-        <label>ValueStratifiedExampleRefProfider&lt; Provider &gt;</label>
-        <link refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"/>
+      <node id="2">
+        <label>BalancedExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1BalancedExampleRefProvider"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="5">
-        <label>SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;</label>
-        <link refid="classlibmolgrid_1_1SamplingExampleRefProvider"/>
+      <node id="3">
+        <label>GroupedExampleRefProvider&lt; Provider &gt;</label>
+        <link refid="classlibmolgrid_1_1GroupedExampleRefProvider"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
@@ -371,9 +392,9 @@
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="2">
-        <label>BalancedExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1BalancedExampleRefProvider"/>
+      <node id="5">
+        <label>SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;</label>
+        <link refid="classlibmolgrid_1_1SamplingExampleRefProvider"/>
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
@@ -383,8 +404,14 @@
         <childnode refid="1" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="7">
+        <label>ValueStratifiedExampleRefProfider&lt; Provider &gt;</label>
+        <link refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
     </inheritancegraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="23" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="23" bodyend="57"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="23" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="23" bodyend="57"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" prot="public" virt="pure-virtual"><scope>libmolgrid::ExampleRefProvider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" virt="virtual"><scope>libmolgrid::ExampleRefProvider</scope><name>check_batch_size</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1FileAtomMapper.xml b/docs/cpp/xml/classlibmolgrid_1_1FileAtomMapper.xml
index 49d9dabe..66600a06 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1FileAtomMapper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1FileAtomMapper.xml
@@ -1,56 +1,60 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1FileAtomMapper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::FileAtomMapper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTypeMapper" prot="public" virt="non-virtual">AtomIndexTypeMapper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1FileAtomMapper_1ad66bc71cd5fd2316bcb5143e48f0044c" prot="private" static="no" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt;std::string&gt; old_type_names</definition>
         <argsstring></argsstring>
         <name>old_type_names</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::old_type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="474" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="474" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="474" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="474" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1FileAtomMapper_1ae773d2bd17ea6ab0f08fcb1d579419eb" prot="private" static="no" mutable="no">
         <type>std::vector&lt; int &gt;</type>
         <definition>std::vector&lt;int&gt; old_type_to_new_type</definition>
         <argsstring></argsstring>
         <name>old_type_to_new_type</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::old_type_to_new_type</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="475" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="475" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="475" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="475" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1FileAtomMapper_1a13a0fc95c51121d146263a7c52618f50" prot="private" static="no" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt;std::string&gt; new_type_names</definition>
         <argsstring></argsstring>
         <name>new_type_names</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::new_type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="476" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="476" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="476" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="476" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-func">
+    </sectiondef>
+    <sectiondef kind="private-func">
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1ae33c4132e8b9598ffa2628b3170a6b4f" prot="private" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>(std::istream &amp;in)</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::setup</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
@@ -62,15 +66,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="479" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="419" bodyend="458"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="479" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="419" bodyend="458"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1a2026312e4be308b70d3e93514c33bb65" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>FileAtomMapper</definition>
         <argsstring>(const std::string &amp;fname, const std::vector&lt; std::string &gt; &amp;type_names)</argsstring>
         <name>FileAtomMapper</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::FileAtomMapper</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -86,13 +91,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="483" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="460" bodyend="468"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="483" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="460" bodyend="468"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1afe177a2d3bc6915733327f7dacec723a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileAtomMapper</definition>
         <argsstring>(std::istream &amp;in, const std::vector&lt; std::string &gt; &amp;type_names)</argsstring>
         <name>FileAtomMapper</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::FileAtomMapper</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
@@ -108,26 +114,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="486" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="486" bodyend="488"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="486" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="486" bodyend="488"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1a4f9602176f27630df390aedc8d5f5614" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~FileAtomMapper</definition>
         <argsstring>()</argsstring>
         <name>~FileAtomMapper</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::~FileAtomMapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="490" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="490" bodyend="490"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="490" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="490" bodyend="490"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
         <briefdescription>
 <para>return number of mapped types, zero if unknown (no mapping) </para>
@@ -136,13 +144,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="493" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="493" bodyend="493"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="493" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="493" bodyend="493"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int get_new_type</definition>
         <argsstring>(unsigned origt) const</argsstring>
         <name>get_new_type</name>
+        <qualifiedname>libmolgrid::FileAtomMapper::get_new_type</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6">get_new_type</reimplements>
         <param>
           <type>unsigned</type>
@@ -155,14 +164,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="496" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="471" bodyend="474"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="496" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="471" bodyend="474"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::FileAtomMapper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
 <para>return vector of string representations of types </para>
         </briefdescription>
@@ -170,9 +180,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="499" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="499" bodyend="499"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="499" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="499" bodyend="499"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Map atom types based on provided file. </para>
     </briefdescription>
@@ -180,36 +190,36 @@
 <para>Each line for the provided file specifies a single type. Types are specified using type names. This class must be provided the type names properly indexed (should match get_type_names). </para>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>AtomIndexTypeMapper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
-      </node>
       <node id="1">
         <label>FileAtomMapper</label>
         <link refid="classlibmolgrid_1_1FileAtomMapper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>AtomIndexTypeMapper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>FileAtomMapper</label>
         <link refid="classlibmolgrid_1_1FileAtomMapper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>AtomIndexTypeMapper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="473" column="48" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="473" bodyend="501"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="473" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="473" bodyend="501"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" prot="public" virt="non-virtual"><scope>libmolgrid::FileAtomMapper</scope><name>AtomIndexTypeMapper</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1a2026312e4be308b70d3e93514c33bb65" prot="public" virt="non-virtual"><scope>libmolgrid::FileAtomMapper</scope><name>FileAtomMapper</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1afe177a2d3bc6915733327f7dacec723a" prot="public" virt="non-virtual"><scope>libmolgrid::FileAtomMapper</scope><name>FileAtomMapper</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" prot="public" virt="virtual"><scope>libmolgrid::FileAtomMapper</scope><name>get_new_type</name></member>
-      <member refid="classlibmolgrid_1_1FileAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::FileAtomMapper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1FileAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::FileAtomMapper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1a13a0fc95c51121d146263a7c52618f50" prot="private" virt="non-virtual"><scope>libmolgrid::FileAtomMapper</scope><name>new_type_names</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::FileAtomMapper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1FileAtomMapper_1ad66bc71cd5fd2316bcb5143e48f0044c" prot="private" virt="non-virtual"><scope>libmolgrid::FileAtomMapper</scope><name>old_type_names</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1FileMappedElementTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1FileMappedElementTyper.xml
index b27d5029..b5ff28d5 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1FileMappedElementTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1FileMappedElementTyper.xml
@@ -1,15 +1,16 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
-  <compounddef id="classlibmolgrid_1_1FileMappedElementTyper" kind="class" language="C++" prot="public" abstract="yes">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="classlibmolgrid_1_1FileMappedElementTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::FileMappedElementTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedElementTyper</definition>
         <argsstring>(const std::string &amp;fname, unsigned maxe=84)</argsstring>
         <name>FileMappedElementTyper</name>
+        <qualifiedname>libmolgrid::FileMappedElementTyper::FileMappedElementTyper</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -25,13 +26,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="578" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="578" bodyend="580"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="578" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="578" bodyend="580"/>
+        <referencedby refid="classlibmolgrid_1_1FileMappedElementTyper_1a795c7339d3ef54ebfab5ae0b62413f08" compoundref="atom__typer_8h" startline="578" endline="580">FileMappedElementTyper::FileMappedElementTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767" compoundref="atom__typer_8h" startline="587" endline="589">FileMappedElementTyper::FileMappedElementTyper</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedElementTyper</definition>
         <argsstring>(const ElementIndexTyper &amp;etyper, const std::string &amp;fname)</argsstring>
         <name>FileMappedElementTyper</name>
+        <qualifiedname>libmolgrid::FileMappedElementTyper::FileMappedElementTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -46,13 +50,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="582" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="582" bodyend="585"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="582" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="582" bodyend="585"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedElementTyper</definition>
         <argsstring>(std::istream &amp;i, unsigned maxe=84)</argsstring>
         <name>FileMappedElementTyper</name>
+        <qualifiedname>libmolgrid::FileMappedElementTyper::FileMappedElementTyper</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>i</declname>
@@ -68,13 +73,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="587" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="587" bodyend="589"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="587" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="587" bodyend="589"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedElementTyper</definition>
         <argsstring>(const ElementIndexTyper &amp;etyper, std::istream &amp;i)</argsstring>
         <name>FileMappedElementTyper</name>
+        <qualifiedname>libmolgrid::FileMappedElementTyper::FileMappedElementTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -89,13 +95,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="591" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="591" bodyend="594"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="591" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="591" bodyend="594"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::num_types</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -103,35 +111,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>unsigned</type>
-        <definition>virtual unsigned num_types</definition>
-        <argsstring>() const =0</argsstring>
-        <name>num_types</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <briefdescription>
-<para>return number of types </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -143,14 +131,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -162,13 +151,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -176,33 +167,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
-        <argsstring>() const =0</argsstring>
-        <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-<para>return vector of string representations of types this isn&apos;t expected to be particularly efficient </para>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <referencedby refid="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588" compoundref="atom__typer_8h" startline="582" endline="585">FileMappedElementTyper::FileMappedElementTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1" compoundref="atom__typer_8h" startline="591" endline="594">FileMappedElementTyper::FileMappedElementTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>radii are the average of the underlying mapped types </para>
         </briefdescription>
@@ -210,33 +185,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
-        <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
-        <argsstring>() const</argsstring>
-        <name>get_type_radii</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <briefdescription>
-<para>if applicable to the typer, return the standard atomic radius of each type </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -252,13 +208,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -266,56 +223,60 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref></type>
-        <definition>FileAtomMapper  mapper</definition>
+        <definition>FileAtomMapper mapper</definition>
         <argsstring></argsstring>
         <name>mapper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::mapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref></type>
-        <definition>ElementIndexTyper  typer</definition>
+        <definition>ElementIndexTyper typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; type_radii</definition>
         <argsstring></argsstring>
         <name>type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;::type_radii</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -334,17 +295,29 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>file mapping element types, derived class for convenient initialization </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
+      <node id="1">
+        <label>FileMappedElementTyper</label>
+        <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>AtomIndexTyper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
+        <childnode refid="4" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="4">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
@@ -355,72 +328,60 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="3">
-        <label>AtomIndexTyper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
-        <childnode refid="4" relation="public-inheritance">
-        </childnode>
-      </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>FileMappedElementTyper</label>
         <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
-      <node id="8">
+      <node id="6">
         <label>AtomIndexTypeMapper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
+      <node id="3">
+        <label>AtomIndexTyper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
+        <childnode refid="4" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="4">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
-      <node id="5">
+      <node id="7">
         <label>ElementIndexTyper</label>
         <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="5">
+        <label>FileAtomMapper</label>
+        <link refid="classlibmolgrid_1_1FileAtomMapper"/>
+        <childnode refid="6" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="2">
         <label>MappedAtomIndexTyper&lt; FileAtomMapper, ElementIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
         <childnode refid="3" relation="public-inheritance">
         </childnode>
         <childnode refid="5" relation="usage">
-          <edgelabel>typer</edgelabel>
-        </childnode>
-        <childnode refid="6" relation="usage">
-          <edgelabel>type_radii</edgelabel>
-        </childnode>
-        <childnode refid="7" relation="usage">
           <edgelabel>mapper</edgelabel>
         </childnode>
-      </node>
-      <node id="7">
-        <label>FileAtomMapper</label>
-        <link refid="classlibmolgrid_1_1FileAtomMapper"/>
-        <childnode refid="8" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="3">
-        <label>AtomIndexTyper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
-        <childnode refid="4" relation="public-inheritance">
+        <childnode refid="7" relation="usage">
+          <edgelabel>typer</edgelabel>
         </childnode>
-      </node>
-      <node id="1">
-        <label>FileMappedElementTyper</label>
-        <link refid="classlibmolgrid_1_1FileMappedElementTyper"/>
-        <childnode refid="2" relation="public-inheritance">
+        <childnode refid="8" relation="usage">
+          <edgelabel>type_radii</edgelabel>
         </childnode>
       </node>
-      <node id="6">
+      <node id="8">
         <label>vector&lt; float &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="576" column="59" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="576" bodyend="595"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="576" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="576" bodyend="595"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>AtomTyper</name></member>
@@ -428,18 +389,15 @@
       <member refid="classlibmolgrid_1_1FileMappedElementTyper_1a0faecdcada8944e9b9b3b68dea5e5588" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>FileMappedElementTyper</name></member>
       <member refid="classlibmolgrid_1_1FileMappedElementTyper_1a589a71c408722b354b3d770231417767" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>FileMappedElementTyper</name></member>
       <member refid="classlibmolgrid_1_1FileMappedElementTyper_1ac6ac951d70d468686bb8d122dd1a23b1" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>FileMappedElementTyper</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_radii</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>MappedAtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>mapper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>num_types</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedElementTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>set_names</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>type_radii</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedElementTyper</scope><name>typer</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1FileMappedGninaTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1FileMappedGninaTyper.xml
index e6898308..b3d22d00 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1FileMappedGninaTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1FileMappedGninaTyper.xml
@@ -1,15 +1,16 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
-  <compounddef id="classlibmolgrid_1_1FileMappedGninaTyper" kind="class" language="C++" prot="public" abstract="yes">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="classlibmolgrid_1_1FileMappedGninaTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::FileMappedGninaTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedGninaTyper</definition>
         <argsstring>(const std::string &amp;fname, bool usec=false)</argsstring>
         <name>FileMappedGninaTyper</name>
+        <qualifiedname>libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -25,13 +26,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="600" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="600" bodyend="602"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="600" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="600" bodyend="602"/>
+        <referencedby refid="classlibmolgrid_1_1FileMappedGninaTyper_1a526261bd16ea412fd79339097dcbf675" compoundref="atom__typer_8h" startline="600" endline="602">FileMappedGninaTyper::FileMappedGninaTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee" compoundref="atom__typer_8h" startline="609" endline="611">FileMappedGninaTyper::FileMappedGninaTyper</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedGninaTyper</definition>
         <argsstring>(const GninaIndexTyper &amp;etyper, const std::string &amp;fname)</argsstring>
         <name>FileMappedGninaTyper</name>
+        <qualifiedname>libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -46,13 +50,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="604" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="604" bodyend="607"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="604" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="604" bodyend="607"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedGninaTyper</definition>
         <argsstring>(std::istream &amp;i, bool usec=false)</argsstring>
         <name>FileMappedGninaTyper</name>
+        <qualifiedname>libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>i</declname>
@@ -68,13 +73,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="609" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="609" bodyend="611"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="609" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="609" bodyend="611"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>FileMappedGninaTyper</definition>
         <argsstring>(const GninaIndexTyper &amp;etyper, std::istream &amp;i)</argsstring>
         <name>FileMappedGninaTyper</name>
+        <qualifiedname>libmolgrid::FileMappedGninaTyper::FileMappedGninaTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -89,13 +95,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="613" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="613" bodyend="616"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="613" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="613" bodyend="616"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::num_types</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -103,35 +111,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>unsigned</type>
-        <definition>virtual unsigned num_types</definition>
-        <argsstring>() const =0</argsstring>
-        <name>num_types</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <briefdescription>
-<para>return number of types </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -143,14 +131,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -162,13 +151,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -176,33 +167,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <referencedby refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b" compoundref="atom__typer_8h" startline="604" endline="607">FileMappedGninaTyper::FileMappedGninaTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88" compoundref="atom__typer_8h" startline="613" endline="616">FileMappedGninaTyper::FileMappedGninaTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
-        <argsstring>() const =0</argsstring>
-        <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-<para>return vector of string representations of types this isn&apos;t expected to be particularly efficient </para>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>radii are the average of the underlying mapped types </para>
         </briefdescription>
@@ -210,33 +185,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
-        <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
-        <argsstring>() const</argsstring>
-        <name>get_type_radii</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <briefdescription>
-<para>if applicable to the typer, return the standard atomic radius of each type </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -252,13 +208,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -266,56 +223,60 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1FileAtomMapper" kindref="compound">FileAtomMapper</ref></type>
-        <definition>FileAtomMapper  mapper</definition>
+        <definition>FileAtomMapper mapper</definition>
         <argsstring></argsstring>
         <name>mapper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::mapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref></type>
-        <definition>GninaIndexTyper  typer</definition>
+        <definition>GninaIndexTyper typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; type_radii</definition>
         <argsstring></argsstring>
         <name>type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; FileAtomMapper, GninaIndexTyper &gt;::type_radii</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -334,17 +295,29 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>file mapping element types, derived class for convenient initialization </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
+      <node id="1">
+        <label>FileMappedGninaTyper</label>
+        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>AtomIndexTyper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
+        <childnode refid="4" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="4">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
@@ -355,32 +328,38 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>FileMappedGninaTyper</label>
         <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="6">
+        <label>AtomIndexTypeMapper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
+      </node>
       <node id="3">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="4" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
-      <node id="8">
-        <label>AtomIndexTypeMapper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
-      </node>
       <node id="4">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
-      <node id="7">
+      <node id="5">
         <label>FileAtomMapper</label>
         <link refid="classlibmolgrid_1_1FileAtomMapper"/>
-        <childnode refid="8" relation="public-inheritance">
+        <childnode refid="6" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="7">
+        <label>GninaIndexTyper</label>
+        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
       <node id="2">
@@ -389,38 +368,20 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
         <childnode refid="5" relation="usage">
-          <edgelabel>type_radii</edgelabel>
-        </childnode>
-        <childnode refid="6" relation="usage">
-          <edgelabel>typer</edgelabel>
-        </childnode>
-        <childnode refid="7" relation="usage">
           <edgelabel>mapper</edgelabel>
         </childnode>
-      </node>
-      <node id="1">
-        <label>FileMappedGninaTyper</label>
-        <link refid="classlibmolgrid_1_1FileMappedGninaTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
-      <node id="3">
-        <label>AtomIndexTyper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
-        <childnode refid="4" relation="public-inheritance">
+        <childnode refid="7" relation="usage">
+          <edgelabel>typer</edgelabel>
         </childnode>
-      </node>
-      <node id="6">
-        <label>GninaIndexTyper</label>
-        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
-        <childnode refid="3" relation="public-inheritance">
+        <childnode refid="8" relation="usage">
+          <edgelabel>type_radii</edgelabel>
         </childnode>
       </node>
-      <node id="5">
+      <node id="8">
         <label>vector&lt; float &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="598" column="57" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="598" bodyend="617"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="598" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="598" bodyend="617"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>AtomTyper</name></member>
@@ -428,18 +389,15 @@
       <member refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad6bb361503a8d59d64f22b7d3636fa2b" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>FileMappedGninaTyper</name></member>
       <member refid="classlibmolgrid_1_1FileMappedGninaTyper_1a9037c6e349dd27eccf31eff4314792ee" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>FileMappedGninaTyper</name></member>
       <member refid="classlibmolgrid_1_1FileMappedGninaTyper_1ad1dcc7134bb0ff077e729a7504cc5f88" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>FileMappedGninaTyper</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_radii</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>MappedAtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>mapper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>num_types</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::FileMappedGninaTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>set_names</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>type_radii</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" virt="non-virtual"><scope>libmolgrid::FileMappedGninaTyper</scope><name>typer</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1GninaIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1GninaIndexTyper.xml
index c6826600..11071060 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1GninaIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1GninaIndexTyper.xml
@@ -1,14 +1,15 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1GninaIndexTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::GninaIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
     <innerclass refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" prot="public">libmolgrid::GninaIndexTyper::info</innerclass>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="enum" id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d" prot="public" static="no" strong="no">
         <type></type>
         <name>type</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::type</qualifiedname>
         <enumvalue id="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da20fa2720571344499f799d2839b23c7e" prot="public">
           <name>Hydrogen</name>
           <briefdescription>
@@ -218,15 +219,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="125" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="125" bodyend="155"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="125" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="125" bodyend="155"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-attrib">
+    </sectiondef>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GninaIndexTyper_1a00161623a95c7ffa27d620532c573984" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool use_covalent</definition>
         <argsstring></argsstring>
         <name>use_covalent</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::use_covalent</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -234,13 +236,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="177" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="177" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="177" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="177" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GninaIndexTyper_1a2bddd8ea9bcb04d6f926e6527a34cfb6" prot="private" static="no" mutable="no">
         <type>const <ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">info</ref> *</type>
         <definition>const info* data</definition>
         <argsstring></argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::data</qualifiedname>
         <initializer>= NULL</initializer>
         <briefdescription>
         </briefdescription>
@@ -248,30 +251,32 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="179" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="179" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="179" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="179" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-static-attrib">
+    </sectiondef>
+    <sectiondef kind="private-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GninaIndexTyper_1aa5bf93ecd6c0d77173098ab6812167e0" prot="private" static="yes" mutable="no">
         <type>const <ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">info</ref></type>
         <definition>const GninaIndexTyper::info default_data</definition>
         <argsstring>[NumTypes]</argsstring>
         <name>default_data</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::default_data</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="178" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="178" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="178" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="178" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a683729a67c4252fdfa71f23d0810a7ab" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GninaIndexTyper</definition>
         <argsstring>(bool usec=false, const info *d=default_data)</argsstring>
         <name>GninaIndexTyper</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::GninaIndexTyper</qualifiedname>
         <param>
           <type>bool</type>
           <declname>usec</declname>
@@ -298,26 +303,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="186" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="186" bodyend="186"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="186" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="186" bodyend="186"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a187ae086fdbb7327510642b6dd674634" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~GninaIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>~GninaIndexTyper</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::~GninaIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="187" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="187" bodyend="187"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="187" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="187" bodyend="187"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -326,14 +333,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="190" column="22" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="67" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="190" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="67" bodyend="69"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
         <definition>std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::GninaIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -346,15 +354,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="193" column="23" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="80" bodyend="164"/>
-        <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="193" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="80" bodyend="164"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
         <definition>pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::GninaIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -366,14 +374,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="196" column="23" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="167" bodyend="177"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="196" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="167" bodyend="177"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::GninaIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
 <para>return vector of string representations of types </para>
         </briefdescription>
@@ -381,14 +390,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="199" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="180" bodyend="186"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="199" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="180" bodyend="186"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplements>
+        <qualifiedname>libmolgrid::GninaIndexTyper::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>return atomic radius of each type </para>
         </briefdescription>
@@ -396,13 +406,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="202" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="189" bodyend="199"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="202" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="189" bodyend="199"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a6755f887a9122d385f57889088b6daa2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="structlibmolgrid_1_1GninaIndexTyper_1_1info" kindref="compound">info</ref> &amp;</type>
-        <definition>const info&amp; get_info</definition>
+        <definition>const info &amp; get_info</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_info</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::get_info</qualifiedname>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -414,15 +425,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="206" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="206" bodyend="206"/>
-        <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" compoundref="atom__typer_8cpp" startline="395" endline="402">GninaVectorTyper::get_vector_type_radii</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="206" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="206" bodyend="206"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -438,13 +448,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -452,15 +463,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GninaIndexTyper_1a34534793e0879fb3222beee2f60d7e79" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>std::string</type>
         <definition>std::string gnina_type_name</definition>
         <argsstring>(int t)</argsstring>
         <name>gnina_type_name</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::gnina_type_name</qualifiedname>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -472,13 +484,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="209" column="24" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="71" bodyend="76"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="209" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="71" bodyend="76"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -497,11 +510,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Calculate gnina types. </para>
     </briefdescription>
@@ -509,9 +522,11 @@
 <para>These are variants of AutoDock4 types. </para>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      <node id="1">
+        <label>GninaIndexTyper</label>
+        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
       </node>
       <node id="2">
         <label>AtomIndexTyper</label>
@@ -519,32 +534,30 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>GninaIndexTyper</label>
         <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="2">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>GninaIndexTyper</label>
-        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="122" column="44" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="122" bodyend="210"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="122" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="122" bodyend="210"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da1ea7ee189d41ec98ed6592d7e07cbe01" prot="public" virt="non-virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>AliphaticCarbonXSHydrophobe</name></member>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2da9b66ff931740ae4be675a9fa83f9c130" prot="public" virt="non-virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>AliphaticCarbonXSNonHydrophobe</name></member>
@@ -562,7 +575,7 @@
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2dad89b17a8892a5bd6aac5579a777515e0" prot="public" virt="non-virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>GenericMetal</name></member>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1afa822a9ced021828013716b9b2e99670" prot="public" virt="virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1GninaIndexTyper_1aef23b5c76e723f1fa66e56819225126b" prot="public" virt="non-virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_info</name></member>
+      <member refid="classlibmolgrid_1_1GninaIndexTyper_1a6755f887a9122d385f57889088b6daa2" prot="public" virt="non-virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_info</name></member>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969" prot="public" virt="virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_int_type</name></member>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b" prot="public" virt="virtual"><scope>libmolgrid::GninaIndexTyper</scope><name>get_type_radii</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1GninaVectorTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1GninaVectorTyper.xml
index 33133f62..5aac330d 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1GninaVectorTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1GninaVectorTyper.xml
@@ -1,13 +1,14 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1GninaVectorTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::GninaVectorTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomVectorTyper" prot="public" virt="non-virtual">AtomVectorTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="enum" id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58" prot="public" static="no" strong="no">
         <type></type>
         <name>vtype</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::vtype</qualifiedname>
         <enumvalue id="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a20fa2720571344499f799d2839b23c7e" prot="public">
           <name>Hydrogen</name>
           <briefdescription>
@@ -203,57 +204,59 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="390" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="390" bodyend="418"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="390" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="390" bodyend="418"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-attrib">
+    </sectiondef>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GninaVectorTyper_1a804985fc0e267f0a5c2c2e35b11a0a58" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref></type>
         <definition>GninaIndexTyper ityper</definition>
         <argsstring></argsstring>
         <name>ityper</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::ityper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="387" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="387" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="387" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="387" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-static-attrib">
+    </sectiondef>
+    <sectiondef kind="private-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GninaVectorTyper_1a241ea1f966320d05b07e9151f2778407" prot="private" static="yes" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>vector&lt; string &gt; vtype_names</definition>
         <argsstring></argsstring>
         <name>vtype_names</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::vtype_names</qualifiedname>
         <initializer>{ 
   &quot;Hydrogen&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a29aed61cddc081ff18d77c441b9fedb2" kindref="member">Carbon</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af766de68d927b08d86af09a7aadbe81b" kindref="member">Nitrogen</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae54b22e3be885eb43db3925118a89f02" kindref="member">Oxygen</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adfc4f003c99e8ae202fa0bbe5433e37d" kindref="member">Sulfur</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58afb6902001cce5e4c30fbf6ff798d14ff" kindref="member">Phosphorus</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a720bc1d5b753af7cf738a52d4b390004" kindref="member">Fluorine</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8b6a342c70d3df3c2927e8a07b798170" kindref="member">Chlorine</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a0aa79218b633c599741632eb7393d2fe" kindref="member">Bromine</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58af293af144ce688a9a2e0a43a9af4e279" kindref="member">Iodine</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58aff5ab7e500a1c16d48b11aa93bb60439" kindref="member">Magnesium</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a2481971aeae9ed91247d0e6c69447bcf" kindref="member">Manganese</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64391040c4d0c382ba484cfc7dc24cce" kindref="member">Zinc</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a40f67c18f45fbcb3396df8fb55e41145" kindref="member">Calcium</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8750950e70ba4037061ecd568a56b944" kindref="member">Iron</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a3a2170e4ebad18bd68d1cd7ebd73bd3d" kindref="member">Boron</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a102c874da8d58e697153b870836f97d7" kindref="member">GenericAtom</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a66071ce81eacf279caeb6181d2b4af77" kindref="member">AD_depth</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a94dadc9171990acbc734ebc7b964c24e" kindref="member">AD_solvation</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58ae946596d3b2f7916326449e286a24d86" kindref="member">AD_volume</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a6fa0bccf04cddf72b9a36f9189e6f826" kindref="member">XS_hydrophobe</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58adf29561d776262734af9b550a4084d99" kindref="member">XS_donor</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a495ab511fe9d4de716f17c16b88c8381" kindref="member">XS_acceptor</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a17742e560aabc21a282511133d1d6051" kindref="member">AD_heteroatom</ref>&quot;,
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a64c607937ff8cf2e2d5c22b8b4052b4c" kindref="member">Aromatic</ref>&quot;, 
-  &quot;<ref refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a47dac740f8d42f2a95b945a0ca69578d" kindref="member">OB_partialcharge</ref>&quot;
+  &quot;Carbon&quot;,
+  &quot;Nitrogen&quot;,
+  &quot;Oxygen&quot;,
+  &quot;Sulfur&quot;,
+  &quot;Phosphorus&quot;,
+  &quot;Fluorine&quot;,
+  &quot;Chlorine&quot;,
+  &quot;Bromine&quot;,
+  &quot;Iodine&quot;,
+  &quot;Magnesium&quot;,
+  &quot;Manganese&quot;,
+  &quot;Zinc&quot;,
+  &quot;Calcium&quot;,
+  &quot;Iron&quot;,
+  &quot;Boron&quot;,
+  &quot;GenericAtom&quot;,
+  &quot;AD_depth&quot;, 
+  &quot;AD_solvation&quot;, 
+  &quot;AD_volume&quot;, 
+  &quot;XS_hydrophobe&quot;, 
+  &quot;XS_donor&quot;, 
+  &quot;XS_acceptor&quot;, 
+  &quot;AD_heteroatom&quot;,
+  &quot;Aromatic&quot;, 
+  &quot;OB_partialcharge&quot;
 }</initializer>
         <briefdescription>
         </briefdescription>
@@ -261,15 +264,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="388" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="388" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="388" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="388" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1a8aabffa33c33ea047ccfc0f0dc27f512" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GninaVectorTyper</definition>
         <argsstring>(const GninaIndexTyper &amp;ityp=GninaIndexTyper())</argsstring>
         <name>GninaVectorTyper</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::GninaVectorTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref> &amp;</type>
           <declname>ityp</declname>
@@ -281,26 +285,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="420" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="420" bodyend="420"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="420" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="420" bodyend="420"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1a86b9eabd4c39cba26d8f59d5840e554a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~GninaVectorTyper</definition>
         <argsstring>()</argsstring>
         <name>~GninaVectorTyper</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::~GninaVectorTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="421" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="421" bodyend="421"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="421" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="421" bodyend="421"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -309,13 +315,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="424" column="22" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="296" bodyend="300"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="424" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="296" bodyend="300"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>float</type>
         <definition>float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::GninaVectorTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -332,14 +339,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="427" column="19" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="303" bodyend="392"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="427" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="303" bodyend="392"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt; float &gt; get_vector_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_vector_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1a2b70b0f630b2e527f02857ad6735122f">get_vector_type_radii</reimplements>
+        <qualifiedname>libmolgrid::GninaVectorTyper::get_vector_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49">get_vector_type_radii</reimplements>
         <briefdescription>
 <para>return radii of types </para>
         </briefdescription>
@@ -347,28 +355,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="430" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="395" bodyend="402"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="430" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="395" bodyend="402"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::GninaVectorTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="433" column="25" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="405" bodyend="407"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="433" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="405" bodyend="407"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const final</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::AtomVectorTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -379,13 +389,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="83" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="83" bodyend="83"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomVectorTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomVectorTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -393,23 +404,24 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="94" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="94" bodyend="94"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <qualifiedname>libmolgrid::AtomTyper::get_int_type</qualifiedname>
+        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ad7cd781efd0d97403d12057df9cacbdb">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727">get_int_type</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a2f2292603513836fcc299e920d102969">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
+        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e">get_int_type</reimplementedby>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -420,9 +432,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="36" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="36" bodyend="36"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Decompose gnina types into elements and properties. Result is boolean. </para>
     </briefdescription>
@@ -431,6 +443,12 @@
 <para>These are variants of AutoDock4 types. </para>
     </detaileddescription>
     <inheritancegraph>
+      <node id="1">
+        <label>GninaVectorTyper</label>
+        <link refid="classlibmolgrid_1_1GninaVectorTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="3">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
@@ -441,14 +459,14 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>GninaVectorTyper</label>
         <link refid="classlibmolgrid_1_1GninaVectorTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="3">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
@@ -459,14 +477,8 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>GninaVectorTyper</label>
-        <link refid="classlibmolgrid_1_1GninaVectorTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
-      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="386" column="46" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="386" bodyend="434"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="386" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="386" bodyend="434"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a66071ce81eacf279caeb6181d2b4af77" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>AD_depth</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a17742e560aabc21a282511133d1d6051" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>AD_heteroatom</name></member>
@@ -482,9 +494,9 @@
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a8b6a342c70d3df3c2927e8a07b798170" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>Chlorine</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a720bc1d5b753af7cf738a52d4b390004" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>Fluorine</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a21bf59de2ac4232bcda03cf34a11ac58a102c874da8d58e697153b870836f97d7" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>GenericAtom</name></member>
-      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_int_type</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1ab179299d9dc6bb3a4bfe868fd60882a6" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" prot="public" virt="virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>get_vector_type_radii</name></member>
       <member refid="classlibmolgrid_1_1GninaVectorTyper_1a8aabffa33c33ea047ccfc0f0dc27f512" prot="public" virt="non-virtual"><scope>libmolgrid::GninaVectorTyper</scope><name>GninaVectorTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1Grid.xml b/docs/cpp/xml/classlibmolgrid_1_1Grid.xml
index 9f660e46..ed10b771 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1Grid.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1Grid.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1Grid" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::Grid</compoundname>
     <includes refid="grid_8h" local="no">grid.h</includes>
@@ -19,100 +19,99 @@
         <defval>false</defval>
       </param>
     </templateparamlist>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using type =  Dtype</definition>
+        <definition>using type = Dtype</definition>
         <argsstring></argsstring>
         <name>type</name>
+        <qualifiedname>libmolgrid::Grid::type</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="76" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="76" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="78" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="78" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims-1, isCUDA &gt;</type>
-        <definition>using subgrid_t =  Grid&lt;Dtype,NumDims-1,isCUDA&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, NumDims-1, isCUDA &gt;</type>
+        <definition>using subgrid_t = Grid&lt;Dtype,NumDims-1,isCUDA&gt;</definition>
         <argsstring></argsstring>
         <name>subgrid_t</name>
+        <qualifiedname>libmolgrid::Grid::subgrid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="77" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="77" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="79" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="79" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
-        <definition>using managed_t =  ManagedGrid&lt;Dtype,NumDims&gt;</definition>
+        <definition>using managed_t = ManagedGrid&lt;Dtype,NumDims&gt;</definition>
         <argsstring></argsstring>
         <name>managed_t</name>
+        <qualifiedname>libmolgrid::Grid::managed_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="78" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="78" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="80" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="80" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, false &gt;</type>
-        <definition>using cpu_grid_t =  Grid&lt;Dtype,NumDims,false&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, NumDims, false &gt;</type>
+        <definition>using cpu_grid_t = Grid&lt;Dtype,NumDims,false&gt;</definition>
         <argsstring></argsstring>
         <name>cpu_grid_t</name>
+        <qualifiedname>libmolgrid::Grid::cpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="79" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="79" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="81" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="81" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, true &gt;</type>
-        <definition>using gpu_grid_t =  Grid&lt;Dtype,NumDims,true&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, NumDims, true &gt;</type>
+        <definition>using gpu_grid_t = Grid&lt;Dtype,NumDims,true&gt;</definition>
         <argsstring></argsstring>
         <name>gpu_grid_t</name>
+        <qualifiedname>libmolgrid::Grid::gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="80" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="80" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="82" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="82" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" prot="protected" static="no" mutable="no">
         <type>Dtype *</type>
         <definition>Dtype* buffer</definition>
         <argsstring></argsstring>
         <name>buffer</name>
+        <qualifiedname>libmolgrid::Grid::buffer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="48" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="48" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" compoundref="grid_8h" startline="174" endline="176">Grid&lt; Dtype, NumDims, true &gt;::address</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" compoundref="grid_8h" startline="105" endline="105">Grid&lt; Dtype, NumDims, true &gt;::data</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aaa5a68e1e5befda24cb7b3e422ba9cc5" compoundref="grid_8h" startline="266" endline="266">Grid&lt; Dtype, 1, isCUDA &gt;::data</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" compoundref="grid_8h" startline="163" endline="165">Grid&lt; Dtype, NumDims, true &gt;::operator()</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8ad9fc847771943373c0ece05f3761a6" compoundref="grid_8h" startline="288" endline="290">Grid&lt; Dtype, 1, isCUDA &gt;::operator()</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" compoundref="grid_8h" startline="278" endline="281">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" compoundref="grid_8h" startline="108" endline="108">Grid&lt; Dtype, NumDims, true &gt;::set_buffer</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" compoundref="grid_8h" startline="271" endline="271">Grid&lt; Dtype, 1, isCUDA &gt;::set_buffer</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="50" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="50" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t dims[NumDims]</definition>
         <argsstring>[NumDims]</argsstring>
         <name>dims</name>
+        <qualifiedname>libmolgrid::Grid::dims</qualifiedname>
         <briefdescription>
 <para>raw pointer to data </para>
         </briefdescription>
@@ -120,41 +119,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="49" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="49" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="88" endline="88">Grid&lt; Dtype, NumDims, true &gt;::dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="260" endline="260">Grid&lt; Dtype, 1, isCUDA &gt;::dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" compoundref="grid_8h" startline="86" endline="86">Grid&lt; Dtype, NumDims, true &gt;::dimensions</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a483b22b3df988a8a315fe4525097cd91" compoundref="grid_8h" startline="258" endline="258">Grid&lt; Dtype, 1, isCUDA &gt;::dimensions</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" compoundref="grid_8h" startline="134" endline="143">Grid&lt; Dtype, NumDims, true &gt;::Grid</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" compoundref="grid_8h" startline="154" endline="157">Grid&lt; Dtype, NumDims, true &gt;::operator[]</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" compoundref="grid_8h" startline="278" endline="281">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" compoundref="grid_8h" startline="96" endline="102">Grid&lt; Dtype, NumDims, true &gt;::size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" compoundref="grid_8h" startline="263" endline="263">Grid&lt; Dtype, 1, isCUDA &gt;::size</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="51" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="51" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t offs[NumDims]</definition>
         <argsstring>[NumDims]</argsstring>
         <name>offs</name>
+        <qualifiedname>libmolgrid::Grid::offs</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="50" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="50" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" compoundref="grid_8h" startline="53" endline="63">Grid&lt; Dtype, NumDims, true &gt;::getPos</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" compoundref="grid_8h" startline="134" endline="143">Grid&lt; Dtype, NumDims, true &gt;::Grid</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" compoundref="grid_8h" startline="93" endline="93">Grid&lt; Dtype, NumDims, true &gt;::offset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" compoundref="grid_8h" startline="91" endline="91">Grid&lt; Dtype, NumDims, true &gt;::offsets</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="52" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="52" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-attrib">
+    </sectiondef>
+    <sectiondef kind="public-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr size_t</type>
-        <definition>constexpr size_t N</definition>
+        <type>size_t</type>
+        <definition>size_t N</definition>
         <argsstring></argsstring>
         <name>N</name>
+        <qualifiedname>libmolgrid::Grid::N</qualifiedname>
         <initializer>= NumDims</initializer>
         <briefdescription>
         </briefdescription>
@@ -162,13 +150,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="82" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="82" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="84" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="84" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr bool</type>
-        <definition>constexpr bool GPU</definition>
+        <type>bool</type>
+        <definition>bool GPU</definition>
         <argsstring></argsstring>
         <name>GPU</name>
+        <qualifiedname>libmolgrid::Grid::GPU</qualifiedname>
         <initializer>= isCUDA</initializer>
         <briefdescription>
         </briefdescription>
@@ -176,10 +165,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="83" column="27" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="83" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="85" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="85" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
@@ -192,6 +181,7 @@
         <definition>CUDA_CALLABLE_MEMBER size_t getPos</definition>
         <argsstring>(I... indices) const</argsstring>
         <name>getPos</name>
+        <qualifiedname>libmolgrid::Grid::getPos</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -202,15 +192,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="53" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="53" bodyend="63"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" compoundref="grid_8h" startline="174" endline="176">Grid&lt; Dtype, NumDims, true &gt;::address</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" compoundref="grid_8h" startline="163" endline="165">Grid&lt; Dtype, NumDims, true &gt;::operator()</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="55" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="55" bodyend="65"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" compoundref="grid_8h" startline="176" endline="178">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::address</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423" compoundref="grid_8h" startline="181" endline="183">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::address</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" compoundref="grid_8h" startline="165" endline="167">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" compoundref="grid_8h" startline="170" endline="172">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator()</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void check_index</definition>
         <argsstring>(size_t i, size_t dim) const</argsstring>
         <name>check_index</name>
+        <qualifiedname>libmolgrid::Grid::check_index</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -225,19 +218,21 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="65" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="65" bodyend="73"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="88" endline="88">Grid&lt; Dtype, NumDims, true &gt;::dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="260" endline="260">Grid&lt; Dtype, 1, isCUDA &gt;::dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" compoundref="grid_8h" startline="154" endline="157">Grid&lt; Dtype, NumDims, true &gt;::operator[]</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" compoundref="grid_8h" startline="278" endline="281">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="67" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="67" bodyend="75"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="278" endline="278">Grid&lt; Dtype, 1, isCUDA &gt;::dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="90" endline="90">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" compoundref="grid_8h" startline="301" endline="304">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" compoundref="grid_8h" startline="156" endline="159">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator[]</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>const <ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t *</type>
-        <definition>const CUDA_CALLABLE_MEMBER size_t* dimensions</definition>
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a8593beea5ae18a49e3b23a395a98aa2c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> const size_t *</type>
+        <definition>CUDA_CALLABLE_MEMBER const size_t * dimensions</definition>
         <argsstring>() const</argsstring>
         <name>dimensions</name>
+        <qualifiedname>libmolgrid::Grid::dimensions</qualifiedname>
         <briefdescription>
 <para>dimensions along each axis </para>
         </briefdescription>
@@ -245,14 +240,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="86" column="47" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="86" bodyend="86"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" compoundref="managed__grid_8h" startline="124" endline="124">ManagedGridBase&lt; Dtype, 1 &gt;::dimensions</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="88" column="47" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="88" bodyend="88"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t dimension</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>dimension</name>
+        <qualifiedname>libmolgrid::Grid::dimension</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -264,37 +259,42 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="88" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="88" bodyend="88"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="90" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="90" bodyend="90"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
         <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="685" endline="704">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="40" endline="54">GridMaker::check_index_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="68" endline="89">GridMaker::check_vector_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="722" endline="741">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="77" endline="91">GridMaker::check_index_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="105" endline="126">GridMaker::check_vector_args</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" compoundref="grid__interpolater_8cpp" startline="56" endline="76">GridInterpolater::checkGrids</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="313" endline="319">CoordinateSet::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" compoundref="managed__grid_8h" startline="126" endline="126">ManagedGridBase&lt; Dtype, 1 &gt;::dimension</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="277" endline="295">Example::extract_label</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" compoundref="example_8cpp" startline="255" endline="270">Example::extract_labels</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="314" endline="320">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="328" endline="346">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="279" endline="301">Example::extract_label</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" compoundref="example_8cpp" startline="253" endline="272">Example::extract_labels</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" compoundref="grid_8h" startline="219" endline="225">Grid&lt; Dtype, NumDims, true &gt;::Grid</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="303" endline="304">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" compoundref="managed__grid_8h" startline="380" endline="384">ManagedGrid&lt; Dtype, NumDims &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aac980d7c511bc6f9323788892ae103f9" compoundref="grid__maker_8h" startline="195" endline="201">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" compoundref="grid_8h" startline="239" endline="245">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" compoundref="managed__grid_8h" startline="478" endline="483">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::operator[]</referencedby>
         <referencedby refid="namespacelibmolgrid_1a675a477dd7654f29009ae26ae706f39a" compoundref="grid__io_8cpp" startline="101" endline="121">libmolgrid::read_dx</referencedby>
         <referencedby refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" compoundref="grid__io_8cpp" startline="192" endline="201">libmolgrid::read_dx_grids</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="357" endline="376">Example::sum_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="363" endline="382">Example::sum_types</referencedby>
         <referencedby refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" compoundref="grid__io_8cpp" startline="134" endline="166">libmolgrid::write_dx</referencedby>
         <referencedby refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" compoundref="grid__io_8cpp" startline="177" endline="189">libmolgrid::write_dx_grids</referencedby>
         <referencedby refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" compoundref="grid__io_8cpp" startline="205" endline="221">libmolgrid::write_map</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>const <ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t *</type>
-        <definition>const CUDA_CALLABLE_MEMBER size_t* offsets</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> const size_t *</type>
+        <definition>CUDA_CALLABLE_MEMBER const size_t * offsets</definition>
         <argsstring>() const</argsstring>
         <name>offsets</name>
+        <qualifiedname>libmolgrid::Grid::offsets</qualifiedname>
         <briefdescription>
 <para>offset for each dimension, all indexing calculations use this </para>
         </briefdescription>
@@ -302,14 +302,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="91" column="47" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="91" bodyend="91"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" compoundref="managed__grid_8h" startline="129" endline="129">ManagedGridBase&lt; Dtype, 1 &gt;::offsets</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="93" column="47" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="93" bodyend="93"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t offset</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>offset</name>
+        <qualifiedname>libmolgrid::Grid::offset</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -321,15 +321,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="93" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="93" bodyend="93"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" compoundref="grid_8h" startline="219" endline="225">Grid&lt; Dtype, NumDims, true &gt;::Grid</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" compoundref="managed__grid_8h" startline="131" endline="131">ManagedGridBase&lt; Dtype, 1 &gt;::offset</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="95" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="95" bodyend="95"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" compoundref="grid_8h" startline="239" endline="245">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::Grid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::Grid::size</qualifiedname>
         <briefdescription>
 <para>number of elements in grid </para>
         </briefdescription>
@@ -337,29 +337,33 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="96" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="96" bodyend="102"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="685" endline="704">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="40" endline="54">GridMaker::check_index_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="68" endline="89">GridMaker::check_vector_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="201" endline="207">Grid&lt; Dtype, NumDims, true &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="317" endline="323">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="188" endline="194">Grid&lt; Dtype, NumDims, true &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="308" endline="314">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="212" endline="215">Grid&lt; Dtype, NumDims, true &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" compoundref="managed__grid_8h" startline="134" endline="134">ManagedGridBase&lt; Dtype, 1 &gt;::size</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="98" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="98" bodyend="104"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="722" endline="741">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="77" endline="91">GridMaker::check_index_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="105" endline="126">GridMaker::check_vector_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="350" endline="364">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="208" endline="222">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="333" endline="347">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="190" endline="204">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="314" endline="324">Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="225" endline="235">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype *</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype* data</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype * data</definition>
         <argsstring>() const</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::Grid::data</qualifiedname>
         <briefdescription>
 <para>pointer to underlying data </para>
         </briefdescription>
@@ -367,30 +371,31 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="105" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="105" bodyend="105"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="107" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="107" bodyend="107"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" compoundref="grid__interpolater_8cpp" startline="56" endline="76">GridInterpolater::checkGrids</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="201" endline="207">Grid&lt; Dtype, NumDims, true &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="317" endline="323">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="188" endline="194">Grid&lt; Dtype, NumDims, true &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="308" endline="314">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" compoundref="managed__grid_8h" startline="327" endline="327">ManagedGridBase&lt; Dtype, 1 &gt;::data</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="277" endline="295">Example::extract_label</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="212" endline="215">Grid&lt; Dtype, NumDims, true &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="310" endline="314">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="357" endline="376">Example::sum_types</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="350" endline="364">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="208" endline="222">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="333" endline="347">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="190" endline="204">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="279" endline="301">Example::extract_label</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="314" endline="324">Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="225" endline="235">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="363" endline="382">Example::sum_types</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_buffer</definition>
         <argsstring>(Dtype *ptr)</argsstring>
         <name>set_buffer</name>
+        <qualifiedname>libmolgrid::Grid::set_buffer</qualifiedname>
         <param>
           <type>Dtype *</type>
           <declname>ptr</declname>
@@ -402,16 +407,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="108" column="38" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="108" bodyend="108"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" compoundref="managed__grid_8h" startline="78" endline="91">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="110" column="38" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="110" bodyend="110"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Grid</definition>
         <argsstring>()</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid::Grid</qualifiedname>
         <briefdescription>
 <para>Empty grid constructor. </para>
         </briefdescription>
@@ -419,7 +422,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="111" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="111" bodyend="113"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="113" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="113" bodyend="115"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -433,6 +436,7 @@
         <definition>Grid</definition>
         <argsstring>(Dtype *const d, I... sizes)</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid::Grid</qualifiedname>
         <param>
           <type>Dtype *const</type>
           <declname>d</declname>
@@ -449,13 +453,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="120" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="120" bodyend="128"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="122" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="122" bodyend="130"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Grid</definition>
         <argsstring>(Dtype *const d, size_t *sizes)</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid::Grid</qualifiedname>
         <param>
           <type>Dtype *const</type>
           <declname>d</declname>
@@ -472,15 +477,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="134" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="134" bodyend="143"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="136" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="136" bodyend="145"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ad22da2de234b06dce1fc0a7017c4fcb0" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>Grid</definition>
         <argsstring>(const Grid &amp;)=default</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid::Grid</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> &amp;</type>
+          <type>const Grid &amp;</type>
         </param>
         <briefdescription>
         </briefdescription>
@@ -488,26 +494,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="145" column="5"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="147" column="5"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>~Grid</definition>
         <argsstring>()=default</argsstring>
         <name>~Grid</name>
+        <qualifiedname>libmolgrid::Grid::~Grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="146" column="5"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="148" column="5"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" kindref="member">subgrid_t</ref></type>
         <definition>CUDA_CALLABLE_MEMBER subgrid_t operator[]</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::Grid::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -520,9 +528,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="154" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="154" bodyend="157"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="156" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="156" bodyend="159"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename...</type>
@@ -531,9 +539,10 @@
           </param>
         </templateparamlist>
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype &amp;</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype&amp; operator()</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype &amp; operator()</definition>
         <argsstring>(I... indices)</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::Grid::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -545,7 +554,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="163" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="163" bodyend="165"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="165" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="165" bodyend="167"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -559,6 +568,7 @@
         <definition>CUDA_CALLABLE_MEMBER Dtype operator()</definition>
         <argsstring>(I... indices) const</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::Grid::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -569,9 +579,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="168" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="168" bodyend="170"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="170" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="170" bodyend="172"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename...</type>
@@ -580,9 +590,10 @@
           </param>
         </templateparamlist>
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype *</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype* address</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype * address</definition>
         <argsstring>(I... indices)</argsstring>
         <name>address</name>
+        <qualifiedname>libmolgrid::Grid::address</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -594,9 +605,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="174" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="174" bodyend="176"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="176" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="176" bodyend="178"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ad16f3140a0985865efe01db743da33c2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename...</type>
@@ -604,10 +615,11 @@
             <defname>I</defname>
           </param>
         </templateparamlist>
-        <type>const <ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype *</type>
-        <definition>const CUDA_CALLABLE_MEMBER Dtype* address</definition>
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> const Dtype *</type>
+        <definition>CUDA_CALLABLE_MEMBER const Dtype * address</definition>
         <argsstring>(I... indices) const</argsstring>
         <name>address</name>
+        <qualifiedname>libmolgrid::Grid::address</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -618,7 +630,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="179" column="45" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="179" bodyend="181"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="181" column="45" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="181" bodyend="183"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -632,8 +644,9 @@
         <definition>size_t copyTo</definition>
         <argsstring>(Grid&lt; Dtype, NumDims, destCUDA &gt; &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::Grid::copyTo</qualifiedname>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, destCUDA &gt; &amp;</type>
+          <type><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, NumDims, destCUDA &gt; &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
@@ -644,7 +657,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="188" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="188" bodyend="194"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="190" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="190" bodyend="204"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -658,25 +671,26 @@
         <definition>size_t copyFrom</definition>
         <argsstring>(const Grid&lt; Dtype, NumDims, srcCUDA &gt; &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::Grid::copyFrom</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, srcCUDA &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, NumDims, srcCUDA &gt; &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
 <para>copy contents from src </para>
         </briefdescription>
         <detaileddescription>
-<para>Sizes should be the same, but will narrow as necessary. Will copy across device/host. </para>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="201" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="201" bodyend="207"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="208" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="208" bodyend="222"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void fill_zero</definition>
         <argsstring>()</argsstring>
         <name>fill_zero</name>
+        <qualifiedname>libmolgrid::Grid::fill_zero</qualifiedname>
         <briefdescription>
 <para>Set contents to zero. </para>
         </briefdescription>
@@ -684,20 +698,21 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="212" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="212" bodyend="215"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="685" endline="704">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="137" endline="140">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="225" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="225" bodyend="235"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="722" endline="741">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" prot="public" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></type>
         <definition>CUDA_CALLABLE_MEMBER Grid</definition>
         <argsstring>(const Grid&lt; Dtype, NumDims+1, isCUDA &gt; &amp;G, size_t i)</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid::Grid</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims+1, isCUDA &gt; &amp;</type>
+          <type>const Grid&lt; Dtype, NumDims+1, isCUDA &gt; &amp;</type>
           <declname>G</declname>
         </param>
         <param>
@@ -710,26 +725,26 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="219" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="219" bodyend="225"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="239" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="239" bodyend="245"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
-<para>A dense array of memory stored on the CPU. The memory is owned and managed external to this class. The location and size of the memory should not change during the lifetime of the grid. If isCUDA is true, data should only be accessed in kernels. </para>
+<para>A dense array of memory. The memory is owned and managed external to this class. The isCUDA template parameter is kept for API compatibility; on Apple Silicon all memory is unified and accessible from both CPU and GPU. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="44" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="44" bodyend="227"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="48" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="48" bodyend="247"/>
     <listofallmembers>
-      <member refid="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>address</name></member>
-      <member refid="classlibmolgrid_1_1Grid_1ad16f3140a0985865efe01db743da33c2" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>address</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>address</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>address</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>buffer</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>check_index</name></member>
       <member refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>copyFrom</name></member>
       <member refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>copyTo</name></member>
       <member refid="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>cpu_grid_t</name></member>
-      <member refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>data</name></member>
       <member refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>dimension</name></member>
-      <member refid="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>dimensions</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1a8593beea5ae18a49e3b23a395a98aa2c" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>dimensions</name></member>
       <member refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>dims</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>fill_zero</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>getPos</name></member>
@@ -744,8 +759,8 @@
       <member refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>N</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>offs</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>offset</name></member>
-      <member refid="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>offsets</name></member>
-      <member refid="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>operator[]</name></member>
       <member refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" prot="public" virt="non-virtual"><scope>libmolgrid::Grid</scope><name>set_buffer</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1GridInterpolater.xml b/docs/cpp/xml/classlibmolgrid_1_1GridInterpolater.xml
index b3e320cc..ed78aacc 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1GridInterpolater.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1GridInterpolater.xml
@@ -1,14 +1,15 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1GridInterpolater" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::GridInterpolater</compoundname>
     <includes refid="grid__interpolater_8h" local="no">grid_interpolater.h</includes>
-      <sectiondef kind="protected-attrib">
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float in_resolution</definition>
         <argsstring></argsstring>
         <name>in_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::in_resolution</qualifiedname>
         <initializer>= 0.5</initializer>
         <briefdescription>
         </briefdescription>
@@ -16,18 +17,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="32" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="32" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="31" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="31" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" compoundref="grid__interpolater_8h" startline="69" endline="69">GridInterpolater::get_in_resolution</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="88" endline="92">GridInterpolater::set_in_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="74" endline="78">GridInterpolater::set_in_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" compoundref="grid__interpolater_8h" startline="70" endline="70">GridInterpolater::get_in_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="91" endline="97">GridInterpolater::set_in_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="75" endline="81">GridInterpolater::set_in_resolution</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float out_resolution</definition>
         <argsstring></argsstring>
         <name>out_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::out_resolution</qualifiedname>
         <initializer>= 0.05</initializer>
         <briefdescription>
         </briefdescription>
@@ -35,17 +37,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="33" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="33" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="32" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="32" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" compoundref="grid__interpolater_8h" startline="71" endline="71">GridInterpolater::get_out_resolution</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" compoundref="grid__interpolater_8h" startline="80" endline="80">GridInterpolater::set_out_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" compoundref="grid__interpolater_8h" startline="72" endline="72">GridInterpolater::get_out_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" compoundref="grid__interpolater_8h" startline="83" endline="83">GridInterpolater::set_out_resolution</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float in_dimension</definition>
         <argsstring></argsstring>
         <name>in_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::in_dimension</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -53,18 +56,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="34" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="33" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="33" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" compoundref="grid__interpolater_8h" startline="83" endline="83">GridInterpolater::get_in_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="88" endline="92">GridInterpolater::set_in_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="74" endline="78">GridInterpolater::set_in_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" compoundref="grid__interpolater_8h" startline="86" endline="86">GridInterpolater::get_in_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="91" endline="97">GridInterpolater::set_in_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="75" endline="81">GridInterpolater::set_in_resolution</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float out_dimension</definition>
         <argsstring></argsstring>
         <name>out_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::out_dimension</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -72,17 +76,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="35" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="35" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="34" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="34" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" compoundref="grid__interpolater_8h" startline="85" endline="85">GridInterpolater::get_out_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" compoundref="grid__interpolater_8h" startline="94" endline="94">GridInterpolater::set_out_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" compoundref="grid__interpolater_8h" startline="88" endline="88">GridInterpolater::get_out_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" compoundref="grid__interpolater_8h" startline="99" endline="99">GridInterpolater::set_out_dimension</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" prot="protected" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned in_dim</definition>
         <argsstring></argsstring>
         <name>in_dim</name>
+        <qualifiedname>libmolgrid::GridInterpolater::in_dim</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -90,17 +95,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="36" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="36" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="35" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="35" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" compoundref="grid__interpolater_8cpp" startline="56" endline="76">GridInterpolater::checkGrids</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="88" endline="92">GridInterpolater::set_in_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="74" endline="78">GridInterpolater::set_in_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a64f8f349043aa37ffa3a5ad40aabeef7" compoundref="grid__interpolater_8cpp" startline="88" endline="92">GridInterpolater::get_pt</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="91" endline="97">GridInterpolater::set_in_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="75" endline="81">GridInterpolater::set_in_resolution</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" prot="protected" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned out_dim</definition>
         <argsstring></argsstring>
         <name>out_dim</name>
+        <qualifiedname>libmolgrid::GridInterpolater::out_dim</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -108,27 +115,13 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="37" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="37" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="36" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="36" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" compoundref="grid__interpolater_8cpp" startline="56" endline="76">GridInterpolater::checkGrids</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="59" endline="64">GridInterpolater::GridInterpolater</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" compoundref="grid__interpolater_8h" startline="56" endline="61">GridInterpolater::GridInterpolater</referencedby>
       </memberdef>
-      <memberdef kind="variable" id="classlibmolgrid_1_1GridInterpolater_1aff68190c6ea2608819bc6e3dbdadbe3d" prot="protected" static="no" mutable="yes">
-        <type>cudaArray_t</type>
-        <definition>cudaArray_t cuArray</definition>
-        <argsstring></argsstring>
-        <name>cuArray</name>
-        <initializer>= nullptr</initializer>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="49" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="49" bodyend="-1"/>
-      </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" prot="protected" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
@@ -144,6 +137,7 @@
         <definition>template void checkGrids</definition>
         <argsstring>(const Grid&lt; Dtype, 4, isCUDA &gt; &amp;in, const Grid&lt; Dtype, 4, isCUDA &gt; &amp;out) const</argsstring>
         <name>checkGrids</name>
+        <qualifiedname>libmolgrid::GridInterpolater::checkGrids</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, isCUDA &gt; &amp;</type>
           <declname>in</declname>
@@ -158,49 +152,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="41" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_interpolater.cpp" bodystart="56" bodyend="76"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="40" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" bodystart="56" bodyend="76"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a49d6bf9a3927ef3cd5b416740b0b94a9" prot="protected" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
-        <type>cudaTextureObject_t</type>
-        <definition>cudaTextureObject_t initializeTexture</definition>
-        <argsstring>(const Grid&lt; float, 3, true &gt; &amp;in) const</argsstring>
-        <name>initializeTexture</name>
-        <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 3, true &gt; &amp;</type>
-          <declname>in</declname>
-        </param>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="44" column="25"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" prot="protected" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
-        <type>void</type>
-        <definition>void clearTexture</definition>
-        <argsstring>()</argsstring>
-        <name>clearTexture</name>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="47" column="10"/>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="88" endline="92">GridInterpolater::set_in_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="74" endline="78">GridInterpolater::set_in_resolution</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" compoundref="grid__interpolater_8h" startline="66" endline="66">GridInterpolater::~GridInterpolater</referencedby>
-      </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GridInterpolater</definition>
         <argsstring>(float inres, float indim, float outres, float outdim)</argsstring>
         <name>GridInterpolater</name>
+        <qualifiedname>libmolgrid::GridInterpolater::GridInterpolater</qualifiedname>
         <param>
           <type>float</type>
           <declname>inres</declname>
@@ -258,26 +220,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="59" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="59" bodyend="64"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="56" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="56" bodyend="61"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~GridInterpolater</definition>
         <argsstring>()</argsstring>
         <name>~GridInterpolater</name>
+        <qualifiedname>libmolgrid::GridInterpolater::~GridInterpolater</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="66" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="66" bodyend="66"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="63" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="63" bodyend="67"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_in_resolution</definition>
         <argsstring>() const</argsstring>
         <name>get_in_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_in_resolution</qualifiedname>
         <briefdescription>
 <para>return resolution of input grid in Angstroms </para>
         </briefdescription>
@@ -285,13 +249,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="69" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="70" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="70" bodyend="70"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_out_resolution</definition>
         <argsstring>() const</argsstring>
         <name>get_out_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_out_resolution</qualifiedname>
         <briefdescription>
 <para>return resolution of output grid in Angstroms </para>
         </briefdescription>
@@ -299,13 +264,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="71" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="71" bodyend="71"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="72" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="72" bodyend="72"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_in_resolution</definition>
         <argsstring>(float res)</argsstring>
         <name>set_in_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::set_in_resolution</qualifiedname>
         <param>
           <type>float</type>
           <declname>res</declname>
@@ -317,13 +283,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="74" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="74" bodyend="78"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="75" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="75" bodyend="81"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_out_resolution</definition>
         <argsstring>(float res)</argsstring>
         <name>set_out_resolution</name>
+        <qualifiedname>libmolgrid::GridInterpolater::set_out_resolution</qualifiedname>
         <param>
           <type>float</type>
           <declname>res</declname>
@@ -335,13 +302,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="80" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="80" bodyend="80"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="83" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="83" bodyend="83"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_in_dimension</definition>
         <argsstring>() const</argsstring>
         <name>get_in_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_in_dimension</qualifiedname>
         <briefdescription>
 <para>get input dimension in Angstroms </para>
         </briefdescription>
@@ -349,13 +317,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="83" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="83" bodyend="83"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="86" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="86" bodyend="86"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_out_dimension</definition>
         <argsstring>() const</argsstring>
         <name>get_out_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_out_dimension</qualifiedname>
         <briefdescription>
 <para>get output dimension in Angstroms </para>
         </briefdescription>
@@ -363,13 +332,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="85" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="85" bodyend="85"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="88" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="88" bodyend="88"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_in_dimension</definition>
         <argsstring>(float d)</argsstring>
         <name>set_in_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::set_in_dimension</qualifiedname>
         <param>
           <type>float</type>
           <declname>d</declname>
@@ -381,13 +351,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="88" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="88" bodyend="92"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="91" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="91" bodyend="97"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_out_dimension</definition>
         <argsstring>(float d)</argsstring>
         <name>set_out_dimension</name>
+        <qualifiedname>libmolgrid::GridInterpolater::set_out_dimension</qualifiedname>
         <param>
           <type>float</type>
           <declname>d</declname>
@@ -399,7 +370,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="94" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="94" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="99" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="99" bodyend="99"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -411,6 +382,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 4, false &gt; &amp;in, const Transform &amp;transform, Grid&lt; Dtype, 4, false &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, false &gt; &amp;</type>
           <declname>in</declname>
@@ -429,8 +401,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="107" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="107" bodyend="110"/>
-        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" compoundref="grid__interpolater_8h" startline="120" endline="123">GridInterpolater::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="105" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="105" bodyend="108"/>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" compoundref="grid__interpolater_8h" startline="105" endline="108">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" compoundref="grid__interpolater_8h" startline="120" endline="123">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" compoundref="grid__interpolater_8h" startline="113" endline="116">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" compoundref="grid__interpolater_8h" startline="127" endline="130">GridInterpolater::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -442,6 +417,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 4, true &gt; &amp;in, const Transform &amp;transform, Grid&lt; Dtype, 4, true &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt; &amp;</type>
           <declname>in</declname>
@@ -460,7 +436,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="120" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="120" bodyend="123"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="113" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="113" bodyend="116"/>
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         <templateparamlist>
@@ -472,6 +448,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 4, false &gt; &amp;in, Grid&lt; Dtype, 4, false &gt; &amp;out, float random_translation=0, bool random_rotation=false) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, false &gt; &amp;</type>
           <declname>in</declname>
@@ -496,7 +473,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="134" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="134" bodyend="137"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="120" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="120" bodyend="123"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -508,6 +485,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 4, true &gt; &amp;in, Grid&lt; Dtype, 4, true &gt; &amp;out, float random_translation=0, bool random_rotation=false) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt; &amp;</type>
           <declname>in</declname>
@@ -532,7 +510,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="148" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="148" bodyend="151"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="127" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="127" bodyend="130"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -544,8 +522,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 in_center, const Grid&lt; Dtype, 4, false &gt; &amp;in, const Transform &amp;transform, float3 out_center, Grid&lt; Dtype, 4, false &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>in_center</declname>
         </param>
         <param>
@@ -557,7 +536,7 @@
           <declname>transform</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>out_center</declname>
         </param>
         <param>
@@ -570,7 +549,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="165" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_interpolater.cpp" bodystart="17" bodyend="48"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="134" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" bodystart="17" bodyend="48"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a82e555c9410eb768286054e7bca5bd4b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -582,8 +561,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 in_center, const Grid&lt; Dtype, 4, true &gt; &amp;in, const Transform &amp;transform, float3 out_center, Grid&lt; Dtype, 4, true &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridInterpolater::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>in_center</declname>
         </param>
         <param>
@@ -595,7 +575,7 @@
           <declname>transform</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>out_center</declname>
         </param>
         <param>
@@ -608,7 +588,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="177" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="138" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -625,6 +605,7 @@
         <definition>CUDA_CALLABLE_MEMBER Dtype get_pt</definition>
         <argsstring>(const Grid&lt; Dtype, 3, isCUDA &gt; &amp;in, int x, int y, int z) const</argsstring>
         <name>get_pt</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_pt</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 3, isCUDA &gt; &amp;</type>
           <declname>in</declname>
@@ -647,7 +628,8 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="182" column="32"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="143" column="32"/>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" compoundref="grid__interpolater_8cpp" startline="95" endline="116">GridInterpolater::interpolate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -664,12 +646,13 @@
         <definition>CUDA_CALLABLE_MEMBER Dtype interpolate</definition>
         <argsstring>(const Grid&lt; Dtype, 3, isCUDA &gt; &amp;in, float3 gridpt) const</argsstring>
         <name>interpolate</name>
+        <qualifiedname>libmolgrid::GridInterpolater::interpolate</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 3, isCUDA &gt; &amp;</type>
           <declname>in</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>gridpt</declname>
         </param>
         <briefdescription>
@@ -678,20 +661,90 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="185" column="32"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="146" column="32"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
-      </sectiondef>
+      <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1a64f8f349043aa37ffa3a5ad40aabeef7" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>typename Dtype</type>
+          </param>
+          <param>
+            <type>bool</type>
+            <declname>isCUDA</declname>
+            <defname>isCUDA</defname>
+          </param>
+        </templateparamlist>
+        <type>Dtype</type>
+        <definition>Dtype get_pt</definition>
+        <argsstring>(const Grid&lt; Dtype, 3, isCUDA &gt; &amp;in, int x, int y, int z) const</argsstring>
+        <name>get_pt</name>
+        <qualifiedname>libmolgrid::GridInterpolater::get_pt</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 3, isCUDA &gt; &amp;</type>
+          <declname>in</declname>
+        </param>
+        <param>
+          <type>int</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>int</type>
+          <declname>y</declname>
+        </param>
+        <param>
+          <type>int</type>
+          <declname>z</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" line="88" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" bodystart="88" bodyend="92"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>typename Dtype</type>
+          </param>
+          <param>
+            <type>bool</type>
+            <declname>isCUDA</declname>
+            <defname>isCUDA</defname>
+          </param>
+        </templateparamlist>
+        <type>Dtype</type>
+        <definition>Dtype interpolate</definition>
+        <argsstring>(const Grid&lt; Dtype, 3, isCUDA &gt; &amp;in, float3 gridpt) const</argsstring>
+        <name>interpolate</name>
+        <qualifiedname>libmolgrid::GridInterpolater::interpolate</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 3, isCUDA &gt; &amp;</type>
+          <declname>in</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>gridpt</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" line="95" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp" bodystart="95" bodyend="116"/>
+      </memberdef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
 <para>Applies a transformation (translation and/or rotation) to a source grid to get an output grid of specified resolutions and dimensions. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="29" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="29" bodyend="186"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="28" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="28" bodyend="147"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>checkGrids</name></member>
-      <member refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>clearTexture</name></member>
-      <member refid="classlibmolgrid_1_1GridInterpolater_1aff68190c6ea2608819bc6e3dbdadbe3d" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>cuArray</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>forward</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>forward</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>forward</name></member>
@@ -703,12 +756,13 @@
       <member refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>get_out_dimension</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>get_out_resolution</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>get_pt</name></member>
+      <member refid="classlibmolgrid_1_1GridInterpolater_1a64f8f349043aa37ffa3a5ad40aabeef7" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>get_pt</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>GridInterpolater</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>in_dim</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>in_dimension</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>in_resolution</name></member>
-      <member refid="classlibmolgrid_1_1GridInterpolater_1a49d6bf9a3927ef3cd5b416740b0b94a9" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>initializeTexture</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>interpolate</name></member>
+      <member refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" prot="public" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>interpolate</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>out_dim</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>out_dimension</name></member>
       <member refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" prot="protected" virt="non-virtual"><scope>libmolgrid::GridInterpolater</scope><name>out_resolution</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1GridMaker.xml b/docs/cpp/xml/classlibmolgrid_1_1GridMaker.xml
index 7b5e5d48..e51f014b 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1GridMaker.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1GridMaker.xml
@@ -1,14 +1,15 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1GridMaker" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::GridMaker</compoundname>
     <includes refid="grid__maker_8h" local="no">grid_maker.h</includes>
-      <sectiondef kind="protected-attrib">
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float resolution</definition>
         <argsstring></argsstring>
         <name>resolution</name>
+        <qualifiedname>libmolgrid::GridMaker::resolution</qualifiedname>
         <initializer>= 0.5</initializer>
         <briefdescription>
         </briefdescription>
@@ -16,14 +17,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="36" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="36" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="326" endline="354">GridMaker::calc_atom_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="392" endline="433">GridMaker::calc_atom_relevance_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="358" endline="389">GridMaker::calc_type_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="36" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="36" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" compoundref="grid__maker_8cpp" startline="755" endline="763">GridMaker::get_bounds_1d</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b" compoundref="grid__maker_8h" startline="93" endline="93">GridMaker::get_resolution</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" compoundref="grid__maker_8h" startline="101" endline="101">GridMaker::set_dimension</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" compoundref="grid__maker_8h" startline="96" endline="96">GridMaker::set_resolution</referencedby>
       </memberdef>
@@ -32,6 +36,7 @@
         <definition>float dimension</definition>
         <argsstring></argsstring>
         <name>dimension</name>
+        <qualifiedname>libmolgrid::GridMaker::dimension</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
 <para>grid spacing </para>
@@ -40,10 +45,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="37" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="37" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="37" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="37" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a913c32e731985d3bf13d38da3eb8fbdc" compoundref="grid__maker_8h" startline="99" endline="99">GridMaker::get_dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" compoundref="grid__maker_8cpp" startline="100" endline="107">GridMaker::get_grid_origin</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" compoundref="grid__maker_8cpp" startline="137" endline="144">GridMaker::get_grid_origin</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" compoundref="grid__maker_8h" startline="101" endline="101">GridMaker::set_dimension</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" compoundref="grid__maker_8h" startline="96" endline="96">GridMaker::set_resolution</referencedby>
       </memberdef>
@@ -52,6 +58,7 @@
         <definition>float radius_scale</definition>
         <argsstring></argsstring>
         <name>radius_scale</name>
+        <qualifiedname>libmolgrid::GridMaker::radius_scale</qualifiedname>
         <initializer>= 1.0</initializer>
         <briefdescription>
 <para>grid side length in Angstroms </para>
@@ -60,20 +67,25 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="38" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="38" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="326" endline="354">GridMaker::calc_atom_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="392" endline="433">GridMaker::calc_atom_relevance_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="358" endline="389">GridMaker::calc_type_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="38" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="38" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" compoundref="grid__maker_8cpp" startline="819" endline="831">GridMaker::accumulate_atom_gradient</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1" compoundref="grid__maker_8h" startline="116" endline="116">GridMaker::get_radiusmultiple</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float gaussian_radius_multiple</definition>
         <argsstring></argsstring>
         <name>gaussian_radius_multiple</name>
+        <qualifiedname>libmolgrid::GridMaker::gaussian_radius_multiple</qualifiedname>
         <initializer>= 1.0</initializer>
         <briefdescription>
 <para>pre-multiplier for radius; simplest way to change size of atoms </para>
@@ -82,14 +94,21 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="39" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="39" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="39" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="39" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" compoundref="grid__maker_8cpp" startline="780" endline="793">GridMaker::atom_density_grad_grad</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" compoundref="grid__maker_8cpp" startline="795" endline="807">GridMaker::atom_density_grad_grad_other</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" compoundref="grid__maker_8cpp" startline="809" endline="817">GridMaker::density_grad_dist</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" compoundref="grid__maker_8cpp" startline="765" endline="778">GridMaker::type_grad_grad</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float final_radius_multiple</definition>
         <argsstring></argsstring>
         <name>final_radius_multiple</name>
+        <qualifiedname>libmolgrid::GridMaker::final_radius_multiple</qualifiedname>
         <initializer>= 1.5</initializer>
         <briefdescription>
 <para>multiple of atomic radius that gaussian function extends to </para>
@@ -98,92 +117,116 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="42" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="42" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="326" endline="354">GridMaker::calc_atom_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="392" endline="433">GridMaker::calc_atom_relevance_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="358" endline="389">GridMaker::calc_type_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="42" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="42" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" compoundref="grid__maker_8cpp" startline="780" endline="793">GridMaker::atom_density_grad_grad</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" compoundref="grid__maker_8cpp" startline="795" endline="807">GridMaker::atom_density_grad_grad_other</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" compoundref="grid__maker_8cpp" startline="809" endline="817">GridMaker::density_grad_dist</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1" compoundref="grid__maker_8h" startline="116" endline="116">GridMaker::get_radiusmultiple</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" compoundref="grid__maker_8cpp" startline="765" endline="778">GridMaker::type_grad_grad</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float A</definition>
         <argsstring></argsstring>
         <name>A</name>
+        <qualifiedname>libmolgrid::GridMaker::A</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float B</definition>
         <argsstring></argsstring>
         <name>B</name>
+        <qualifiedname>libmolgrid::GridMaker::B</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="301">GridMaker::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float C</definition>
         <argsstring></argsstring>
         <name>C</name>
+        <qualifiedname>libmolgrid::GridMaker::C</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="301">GridMaker::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="44" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="44" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float D</definition>
         <argsstring></argsstring>
         <name>D</name>
+        <qualifiedname>libmolgrid::GridMaker::D</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="45" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="45" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="45" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="45" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" compoundref="grid__maker_8cpp" startline="780" endline="793">GridMaker::atom_density_grad_grad</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" compoundref="grid__maker_8cpp" startline="795" endline="807">GridMaker::atom_density_grad_grad_other</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" compoundref="grid__maker_8cpp" startline="809" endline="817">GridMaker::density_grad_dist</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" compoundref="grid__maker_8cpp" startline="765" endline="778">GridMaker::type_grad_grad</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" prot="protected" static="no" mutable="no">
         <type>float</type>
         <definition>float E</definition>
         <argsstring></argsstring>
         <name>E</name>
+        <qualifiedname>libmolgrid::GridMaker::E</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="45" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="45" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="45" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="45" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" compoundref="grid__maker_8cpp" startline="780" endline="793">GridMaker::atom_density_grad_grad</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" compoundref="grid__maker_8cpp" startline="795" endline="807">GridMaker::atom_density_grad_grad_other</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" compoundref="grid__maker_8cpp" startline="809" endline="817">GridMaker::density_grad_dist</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" compoundref="grid__maker_8cpp" startline="765" endline="778">GridMaker::type_grad_grad</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" prot="protected" static="no" mutable="no">
         <type>bool</type>
         <definition>bool binary</definition>
         <argsstring></argsstring>
         <name>binary</name>
+        <qualifiedname>libmolgrid::GridMaker::binary</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -191,13 +234,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="46" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="46" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="392" endline="433">GridMaker::calc_atom_relevance_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="358" endline="389">GridMaker::calc_type_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="46" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="46" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1acc9dc2f277b5ceed6789a7c959c9017c" compoundref="grid__maker_8h" startline="106" endline="106">GridMaker::get_binary</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8" compoundref="grid__maker_8h" startline="108" endline="108">GridMaker::set_binary</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" prot="protected" static="no" mutable="no">
@@ -205,6 +250,7 @@
         <definition>bool radii_type_indexed</definition>
         <argsstring></argsstring>
         <name>radii_type_indexed</name>
+        <qualifiedname>libmolgrid::GridMaker::radii_type_indexed</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
 <para>use binary occupancy instead of real-valued atom density </para>
@@ -213,12 +259,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="47" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="47" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="68" endline="89">GridMaker::check_vector_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="47" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="47" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="105" endline="126">GridMaker::check_vector_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1ada33a2c215eedf1d2bdb1c74c7fb111a" compoundref="grid__maker_8h" startline="111" endline="111">GridMaker::get_radii_type_indexed</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5" compoundref="grid__maker_8h" startline="113" endline="113">GridMaker::set_radii_type_indexed</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" prot="protected" static="no" mutable="no">
@@ -226,26 +275,29 @@
         <definition>unsigned dim</definition>
         <argsstring></argsstring>
         <name>dim</name>
+        <qualifiedname>libmolgrid::GridMaker::dim</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="48" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="48" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="40" endline="54">GridMaker::check_index_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="68" endline="89">GridMaker::check_vector_args</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="48" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="48" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="77" endline="91">GridMaker::check_index_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="105" endline="126">GridMaker::check_vector_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" compoundref="grid__maker_8cpp" startline="755" endline="763">GridMaker::get_bounds_1d</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a35c10485c3709bff6c3976aae006590e" compoundref="grid__maker_8h" startline="103" endline="103">GridMaker::get_first_dim</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" compoundref="grid__maker_8h" startline="88" endline="90">GridMaker::get_grid_dims</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="15" endline="36">GridMaker::initialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" compoundref="grid__maker_8cpp" startline="52" endline="73">GridMaker::initialize</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" compoundref="grid__maker_8h" startline="101" endline="101">GridMaker::set_dimension</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" compoundref="grid__maker_8h" startline="96" endline="96">GridMaker::set_resolution</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" prot="protected" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
@@ -261,6 +313,7 @@
         <definition>template void check_index_args</definition>
         <argsstring>(const Grid&lt; float, 2, isCUDA &gt; &amp;coords, const Grid&lt; float, 1, isCUDA &gt; &amp;type_index, const Grid&lt; float, 1, isCUDA &gt; &amp;radii, Grid&lt; Dtype, 4, isCUDA &gt; &amp;out) const</argsstring>
         <name>check_index_args</name>
+        <qualifiedname>libmolgrid::GridMaker::check_index_args</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 2, isCUDA &gt; &amp;</type>
           <declname>coords</declname>
@@ -284,8 +337,8 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="51" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="40" bodyend="54"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="51" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="77" bodyend="91"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" prot="protected" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -302,6 +355,7 @@
         <definition>template void check_vector_args</definition>
         <argsstring>(const Grid&lt; float, 2, isCUDA &gt; &amp;coords, const Grid&lt; float, 2, isCUDA &gt; &amp;type_vector, const Grid&lt; float, 1, isCUDA &gt; &amp;radii, const Grid&lt; Dtype, 4, isCUDA &gt; &amp;out) const</argsstring>
         <name>check_vector_args</name>
+        <qualifiedname>libmolgrid::GridMaker::check_vector_args</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 2, isCUDA &gt; &amp;</type>
           <declname>coords</declname>
@@ -324,17 +378,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="56" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="68" bodyend="89"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="215" endline="271">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="56" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="105" bodyend="126"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GridMaker</definition>
         <argsstring>(float res=0, float d=0, bool bin=false, bool rti=false, float rscale=1.0, float grm=1.0)</argsstring>
         <name>GridMaker</name>
+        <qualifiedname>libmolgrid::GridMaker::GridMaker</qualifiedname>
         <param>
           <type>float</type>
           <declname>res</declname>
@@ -422,26 +477,29 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="70" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="70" bodyend="74"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="70" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="70" bodyend="74"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302">GridMaker::calc_point</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a54fa13dfd001613833b671405187f74b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~GridMaker</definition>
         <argsstring>()</argsstring>
         <name>~GridMaker</name>
+        <qualifiedname>libmolgrid::GridMaker::~GridMaker</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="76" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="76" bodyend="76"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="76" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="76" bodyend="76"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void initialize</definition>
         <argsstring>(float res, float d, bool bin=false, float rscale=1.0, float grm=1.0)</argsstring>
         <name>initialize</name>
+        <qualifiedname>libmolgrid::GridMaker::initialize</qualifiedname>
         <param>
           <type>float</type>
           <declname>res</declname>
@@ -514,14 +572,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="85" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="15" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="85" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="52" bodyend="73"/>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" compoundref="grid__maker_8h" startline="70" endline="74">GridMaker::GridMaker</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 get_grid_dims</definition>
         <argsstring>() const</argsstring>
         <name>get_grid_dims</name>
+        <qualifiedname>libmolgrid::GridMaker::get_grid_dims</qualifiedname>
         <briefdescription>
 <para>return spatial dimensions of grid </para>
         </briefdescription>
@@ -529,13 +588,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="88" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="88" bodyend="90"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="88" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="88" bodyend="90"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_resolution</definition>
         <argsstring>() const</argsstring>
         <name>get_resolution</name>
+        <qualifiedname>libmolgrid::GridMaker::get_resolution</qualifiedname>
         <briefdescription>
 <para>return resolution in Angstroms </para>
         </briefdescription>
@@ -543,13 +603,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="93" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="93" bodyend="93"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="93" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="93" bodyend="93"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_resolution</definition>
         <argsstring>(float res)</argsstring>
         <name>set_resolution</name>
+        <qualifiedname>libmolgrid::GridMaker::set_resolution</qualifiedname>
         <param>
           <type>float</type>
           <declname>res</declname>
@@ -561,13 +622,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="96" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="96" bodyend="96"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="96" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="96" bodyend="96"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a913c32e731985d3bf13d38da3eb8fbdc" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_dimension</definition>
         <argsstring>() const</argsstring>
         <name>get_dimension</name>
+        <qualifiedname>libmolgrid::GridMaker::get_dimension</qualifiedname>
         <briefdescription>
 <para>get dimension in Angstroms </para>
         </briefdescription>
@@ -575,13 +637,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="99" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="99" bodyend="99"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="99" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="99" bodyend="99"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_dimension</definition>
         <argsstring>(float d)</argsstring>
         <name>set_dimension</name>
+        <qualifiedname>libmolgrid::GridMaker::set_dimension</qualifiedname>
         <param>
           <type>float</type>
           <declname>d</declname>
@@ -593,26 +656,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="101" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="101" bodyend="101"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="101" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="101" bodyend="101"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a35c10485c3709bff6c3976aae006590e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> unsigned</type>
         <definition>CUDA_CALLABLE_MEMBER unsigned get_first_dim</definition>
         <argsstring>() const</argsstring>
         <name>get_first_dim</name>
+        <qualifiedname>libmolgrid::GridMaker::get_first_dim</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="103" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="103" bodyend="103"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="103" column="35" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="103" bodyend="103"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1acc9dc2f277b5ceed6789a7c959c9017c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> bool</type>
         <definition>CUDA_CALLABLE_MEMBER bool get_binary</definition>
         <argsstring>() const</argsstring>
         <name>get_binary</name>
+        <qualifiedname>libmolgrid::GridMaker::get_binary</qualifiedname>
         <briefdescription>
 <para>return if density is binary </para>
         </briefdescription>
@@ -620,13 +685,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="106" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="106" bodyend="106"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="106" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="106" bodyend="106"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_binary</definition>
         <argsstring>(bool b)</argsstring>
         <name>set_binary</name>
+        <qualifiedname>libmolgrid::GridMaker::set_binary</qualifiedname>
         <param>
           <type>bool</type>
           <declname>b</declname>
@@ -638,13 +704,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="108" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="108" bodyend="108"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="108" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="108" bodyend="108"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ada33a2c215eedf1d2bdb1c74c7fb111a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> bool</type>
         <definition>CUDA_CALLABLE_MEMBER bool get_radii_type_indexed</definition>
         <argsstring>() const</argsstring>
         <name>get_radii_type_indexed</name>
+        <qualifiedname>libmolgrid::GridMaker::get_radii_type_indexed</qualifiedname>
         <briefdescription>
 <para>return if radius array should be indexed by type id (for vector types) </para>
         </briefdescription>
@@ -652,13 +719,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="111" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="111" bodyend="111"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="111" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="111" bodyend="111"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_radii_type_indexed</definition>
         <argsstring>(bool b)</argsstring>
         <name>set_radii_type_indexed</name>
+        <qualifiedname>libmolgrid::GridMaker::set_radii_type_indexed</qualifiedname>
         <param>
           <type>bool</type>
           <declname>b</declname>
@@ -670,13 +738,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="113" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="113" bodyend="113"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="113" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="113" bodyend="113"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
         <definition>CUDA_CALLABLE_MEMBER float get_radiusmultiple</definition>
         <argsstring>() const</argsstring>
         <name>get_radiusmultiple</name>
+        <qualifiedname>libmolgrid::GridMaker::get_radiusmultiple</qualifiedname>
         <briefdescription>
 <para>return multiplier of radius where density goes to zero </para>
         </briefdescription>
@@ -684,15 +753,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="116" column="32" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="116" bodyend="116"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="116" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="116" bodyend="116"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
-        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float3</type>
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 get_grid_origin</definition>
         <argsstring>(const float3 &amp;grid_center) const</argsstring>
         <name>get_grid_origin</name>
+        <qualifiedname>libmolgrid::GridMaker::get_grid_origin</qualifiedname>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>grid_center</declname>
         </param>
         <briefdescription>
@@ -720,11 +790,13 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="123" column="33" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="100" bodyend="107"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="685" endline="704">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="123" column="33" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="137" bodyend="144"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="722" endline="741">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -736,8 +808,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, Grid&lt; Dtype, 4, false &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -754,8 +827,13 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="132" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="132" bodyend="138"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="132" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="132" bodyend="138"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" compoundref="grid__maker_8cpp" startline="163" endline="178">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aac980d7c511bc6f9323788892ae103f9" compoundref="grid__maker_8h" startline="195" endline="201">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -767,8 +845,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, Grid&lt; Dtype, 4, true &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -785,7 +864,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="147" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="147" bodyend="153"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="147" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="147" bodyend="153"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -802,6 +881,7 @@
         <definition>void forward</definition>
         <argsstring>(const Example &amp;in, const Transform &amp;transform, Grid&lt; Dtype, 4, isCUDA &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &amp;</type>
           <declname>in</declname>
@@ -820,7 +900,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="164" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="110" bodyend="116"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="164" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="147" bodyend="153"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -837,6 +917,7 @@
         <definition>void forward</definition>
         <argsstring>(const Example &amp;in, Grid&lt; Dtype, 4, isCUDA &gt; &amp;out, float random_translation=0.0, bool random_rotation=false, const float3 &amp;center=make_float3(INFINITY, INFINITY, INFINITY)) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &amp;</type>
           <declname>in</declname>
@@ -856,9 +937,9 @@
           <defval>false</defval>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>center</declname>
-          <defval>make_float3(INFINITY, INFINITY, INFINITY)</defval>
+          <defval><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(INFINITY, INFINITY, INFINITY)</defval>
         </param>
         <briefdescription>
         </briefdescription>
@@ -866,7 +947,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="178" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="126" bodyend="141"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="178" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="163" bodyend="178"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aac980d7c511bc6f9323788892ae103f9" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -883,6 +964,7 @@
         <definition>void forward</definition>
         <argsstring>(const std::vector&lt; Example &gt; &amp;in, Grid&lt; Dtype, 5, isCUDA &gt; &amp;out, float random_translation=0.0, bool random_rotation=false) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
           <type>const std::vector&lt; <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &gt; &amp;</type>
           <declname>in</declname>
@@ -907,7 +989,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="195" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="195" bodyend="201"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="195" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="195" bodyend="201"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -919,8 +1001,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 1, false &gt; &amp;type_index, const Grid&lt; float, 1, false &gt; &amp;radii, Grid&lt; Dtype, 4, false &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -945,7 +1028,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="213" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="154" bodyend="212"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="213" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="191" bodyend="249"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aae319692941bdf08cdc099fe00d17008" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -957,8 +1040,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 1, true &gt; &amp;type_index, const Grid&lt; float, 1, true &gt; &amp;radii, Grid&lt; Dtype, 4, true &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -983,7 +1067,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="226" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="226" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -995,8 +1079,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 2, false &gt; &amp;type_vector, const Grid&lt; float, 1, false &gt; &amp;radii, Grid&lt; Dtype, 4, false &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1021,7 +1106,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="240" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="215" bodyend="271"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="240" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="252" bodyend="308"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ab0b1c2667f95deecad72ff0901cbabfa" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1033,8 +1118,9 @@
         <definition>void forward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 2, true &gt; &amp;type_vector, const Grid&lt; float, 1, true &gt; &amp;radii, Grid&lt; Dtype, 4, true &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1059,7 +1145,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="253" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="253" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1081,6 +1167,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; float, 2, isCUDA &gt; &amp;centers, const Grid&lt; float, 3, isCUDA &gt; &amp;coords, const Grid&lt; float, N, isCUDA &gt; &amp;types, const Grid&lt; float, 2, isCUDA &gt; &amp;radii, Grid&lt; Dtype, 5, isCUDA &gt; &amp;out) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::GridMaker::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 2, isCUDA &gt; &amp;</type>
           <declname>centers</declname>
@@ -1107,7 +1194,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="266" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="266" bodyend="301"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="266" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="266" bodyend="305"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1119,8 +1206,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 2, false &gt; &amp;atomic_gradients, Grid&lt; Dtype, 2, false &gt; &amp;type_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1145,8 +1233,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="315" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="315" bodyend="322"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="334" endline="341">GridMaker::backward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="319" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="319" bodyend="326"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="338" endline="345">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="319" endline="326">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" compoundref="grid__maker_8h" startline="377" endline="384">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" compoundref="grid__maker_8h" startline="358" endline="365">GridMaker::backward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1158,8 +1249,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 2, false &gt; &amp;atomic_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1180,7 +1272,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="334" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="334" bodyend="341"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="338" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="338" bodyend="345"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1192,8 +1284,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, true &gt; &amp;diff, Grid&lt; Dtype, 2, true &gt; &amp;atomic_gradients, Grid&lt; Dtype, 2, true &gt; &amp;type_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1218,7 +1311,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="354" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="354" bodyend="361"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="358" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="358" bodyend="365"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1230,8 +1323,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, true &gt; &amp;diff, Grid&lt; Dtype, 2, true &gt; &amp;atomic_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1252,7 +1346,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="373" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="373" bodyend="380"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="377" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="377" bodyend="384"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1264,8 +1358,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 1, false &gt; &amp;type_index, const Grid&lt; float, 1, false &gt; &amp;radii, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 2, false &gt; &amp;atom_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1294,7 +1389,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="393" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="437" bodyend="467"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="397" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="474" bodyend="504"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a8e5f02ebf9ddcd49efa83ff97d2d4292" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1306,8 +1401,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 1, true &gt; &amp;type_index, const Grid&lt; float, 1, true &gt; &amp;radii, const Grid&lt; Dtype, 4, true &gt; &amp;grid, Grid&lt; Dtype, 2, true &gt; &amp;atom_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1336,7 +1432,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="408" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="412" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1348,8 +1444,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 2, false &gt; &amp;type_vectors, const Grid&lt; float, 1, false &gt; &amp;radii, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 2, false &gt; &amp;atom_gradients, Grid&lt; Dtype, 2, false &gt; &amp;type_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1382,7 +1479,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="424" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="478" bodyend="519"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="428" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="515" bodyend="556"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a9983c8842c0a051af69c9bfa2b71d62d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1394,8 +1491,9 @@
         <definition>void backward</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 2, true &gt; &amp;type_vectors, const Grid&lt; float, 1, true &gt; &amp;radii, const Grid&lt; Dtype, 4, true &gt; &amp;grid, Grid&lt; Dtype, 2, true &gt; &amp;atom_gradients, Grid&lt; Dtype, 2, true &gt; &amp;type_gradients) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::GridMaker::backward</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1428,7 +1526,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="442" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="446" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1440,8 +1538,9 @@
         <definition>void backward_gradients</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 2, false &gt; &amp;type_vectors, const Grid&lt; float, 1, false &gt; &amp;radii, const Grid&lt; Dtype, 4, false &gt; &amp;diff, const Grid&lt; Dtype, 2, false &gt; &amp;atom_gradients, const Grid&lt; Dtype, 2, false &gt; &amp;type_gradients, Grid&lt; Dtype, 4, false &gt; &amp;diffdiff, Grid&lt; Dtype, 2, false &gt; &amp;atom_diffdiff, Grid&lt; Dtype, 2, false &gt; &amp;type_diffdiff)</argsstring>
         <name>backward_gradients</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_gradients</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1486,8 +1585,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="464" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="530" bodyend="672"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="509" endline="520">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="468" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="567" bodyend="709"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="513" endline="524">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" compoundref="grid__maker_8h" startline="540" endline="551">GridMaker::backward_gradients</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ae05af91cad9785fc671c57c1488d6934" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1499,8 +1599,9 @@
         <definition>void backward_gradients</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 2, true &gt; &amp;type_vectors, const Grid&lt; float, 1, true &gt; &amp;radii, const Grid&lt; Dtype, 4, true &gt; &amp;diff, const Grid&lt; Dtype, 2, true &gt; &amp;atom_gradients, const Grid&lt; Dtype, 2, true &gt; &amp;type_gradients, Grid&lt; Dtype, 4, true &gt; &amp;diffdiff, Grid&lt; Dtype, 2, true &gt; &amp;atom_diffdiff, Grid&lt; Dtype, 2, true &gt; &amp;type_diffdiff)</argsstring>
         <name>backward_gradients</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_gradients</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1545,7 +1646,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="488" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="492" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1557,8 +1658,9 @@
         <definition>void backward_gradients</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, false &gt; &amp;diff, const Grid&lt; Dtype, 2, false &gt; &amp;atom_gradients, const Grid&lt; Dtype, 2, false &gt; &amp;type_gradients, Grid&lt; Dtype, 4, false &gt; &amp;diffdiff, Grid&lt; Dtype, 2, false &gt; &amp;atom_diffdiff, Grid&lt; Dtype, 2, false &gt; &amp;type_diffdiff)</argsstring>
         <name>backward_gradients</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_gradients</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1595,7 +1697,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="509" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="509" bodyend="520"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="513" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="513" bodyend="524"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1607,8 +1709,9 @@
         <definition>void backward_gradients</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, true &gt; &amp;diff, const Grid&lt; Dtype, 2, true &gt; &amp;atom_gradients, const Grid&lt; Dtype, 2, true &gt; &amp;type_gradients, Grid&lt; Dtype, 4, true &gt; &amp;diffdiff, Grid&lt; Dtype, 2, true &gt; &amp;atom_diffdiff, Grid&lt; Dtype, 2, true &gt; &amp;type_diffdiff)</argsstring>
         <name>backward_gradients</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_gradients</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1645,7 +1748,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="536" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="536" bodyend="547"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="540" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="540" bodyend="551"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1657,8 +1760,9 @@
         <definition>void backward_relevance</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, false &gt; &amp;density, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 1, false &gt; &amp;relevance) const</argsstring>
         <name>backward_relevance</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_relevance</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1683,8 +1787,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="559" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="559" bodyend="567"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="578" endline="586">GridMaker::backward_relevance</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="563" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="563" bodyend="571"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="563" endline="571">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="582" endline="590">GridMaker::backward_relevance</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -1696,8 +1801,9 @@
         <definition>void backward_relevance</definition>
         <argsstring>(float3 grid_center, const CoordinateSet &amp;in, const Grid&lt; Dtype, 4, true &gt; &amp;density, const Grid&lt; Dtype, 4, true &gt; &amp;diff, Grid&lt; Dtype, 1, true &gt; &amp;relevance) const</argsstring>
         <name>backward_relevance</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_relevance</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1722,7 +1828,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="578" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="578" bodyend="586"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="582" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="582" bodyend="590"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1734,8 +1840,9 @@
         <definition>void backward_relevance</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, false &gt; &amp;coords, const Grid&lt; float, 1, false &gt; &amp;type_index, const Grid&lt; float, 1, false &gt; &amp;radii, const Grid&lt; Dtype, 4, false &gt; &amp;density, const Grid&lt; Dtype, 4, false &gt; &amp;diff, Grid&lt; Dtype, 1, false &gt; &amp;relevance) const</argsstring>
         <name>backward_relevance</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_relevance</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1768,7 +1875,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="599" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="685" bodyend="704"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="603" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="722" bodyend="741"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ac912f62cc430d5cfe2c32c9a6fd62539" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1780,8 +1887,9 @@
         <definition>void backward_relevance</definition>
         <argsstring>(float3 grid_center, const Grid&lt; float, 2, true &gt; &amp;coords, const Grid&lt; float, 1, true &gt; &amp;type_index, const Grid&lt; float, 1, true &gt; &amp;radii, const Grid&lt; Dtype, 4, true &gt; &amp;density, const Grid&lt; Dtype, 4, true &gt; &amp;diff, Grid&lt; Dtype, 1, true &gt; &amp;relevance) const</argsstring>
         <name>backward_relevance</name>
+        <qualifiedname>libmolgrid::GridMaker::backward_relevance</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_center</declname>
         </param>
         <param>
@@ -1814,7 +1922,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="615" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="619" column="10"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1831,16 +1939,17 @@
         <definition>CUDA_DEVICE_MEMBER void set_atoms</definition>
         <argsstring>(unsigned natoms, float3 grid_origin, const float3 *coords, const float *tindex, const float *radii, Dtype *out)</argsstring>
         <name>set_atoms</name>
+        <qualifiedname>libmolgrid::GridMaker::set_atoms</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>natoms</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_origin</declname>
         </param>
         <param>
-          <type>const float3 *</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> *</type>
           <declname>coords</declname>
         </param>
         <param>
@@ -1861,7 +1970,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="630" column="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="634" column="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1883,16 +1992,17 @@
         <definition>CUDA_DEVICE_MEMBER void set_atoms</definition>
         <argsstring>(unsigned natoms, float3 grid_origin, const float3 *coords, const float *type_vec, unsigned ntypes, const float *radii, Dtype *out)</argsstring>
         <name>set_atoms</name>
+        <qualifiedname>libmolgrid::GridMaker::set_atoms</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>natoms</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>grid_origin</declname>
         </param>
         <param>
-          <type>const float3 *</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> *</type>
           <declname>coords</declname>
         </param>
         <param>
@@ -1917,7 +2027,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="643" column="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="647" column="29"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1925,12 +2035,13 @@
             <type>typename Dtype</type>
           </param>
         </templateparamlist>
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 calc_atom_gradient_cpu</definition>
         <argsstring>(const float3 &amp;grid_origin, const Grid1f &amp;coord, const Grid&lt; Dtype, 3, false &gt; &amp;diff, float radius) const</argsstring>
         <name>calc_atom_gradient_cpu</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_atom_gradient_cpu</qualifiedname>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>grid_origin</declname>
         </param>
         <param>
@@ -1951,8 +2062,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="651" column="12" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="326" bodyend="354"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="655" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="363" bodyend="391"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1964,8 +2076,9 @@
         <definition>float calc_type_gradient_cpu</definition>
         <argsstring>(const float3 &amp;grid_origin, const Grid1f &amp;coord, const Grid&lt; Dtype, 3, false &gt; &amp;diff, float radius) const</argsstring>
         <name>calc_type_gradient_cpu</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_type_gradient_cpu</qualifiedname>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>grid_origin</declname>
         </param>
         <param>
@@ -1986,8 +2099,8 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="655" column="11" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="358" bodyend="389"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="478" endline="519">GridMaker::backward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="659" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="395" bodyend="426"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -1999,8 +2112,9 @@
         <definition>float calc_atom_relevance_cpu</definition>
         <argsstring>(const float3 &amp;grid_origin, const Grid1f &amp;coord, const Grid&lt; Dtype, 3, false &gt; &amp;density, const Grid&lt; Dtype, 3, false &gt; &amp;diff, float radius) const</argsstring>
         <name>calc_atom_relevance_cpu</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_atom_relevance_cpu</qualifiedname>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>grid_origin</declname>
         </param>
         <param>
@@ -2025,14 +2139,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="660" column="11" bodyfile="/home/dkoes/git/libmolgrid/src/grid_maker.cpp" bodystart="392" bodyend="433"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="685" endline="704">GridMaker::backward_relevance</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="664" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="429" bodyend="470"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" compoundref="grid__maker_8cpp" startline="722" endline="741">GridMaker::backward_relevance</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
-        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> uint2</type>
-        <definition>CUDA_CALLABLE_MEMBER uint2 get_bounds_1d</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structuint2" kindref="compound">uint2</ref></type>
+        <definition>uint2 get_bounds_1d</definition>
         <argsstring>(const float grid_origin, float coord, float densityrad) const</argsstring>
         <name>get_bounds_1d</name>
+        <qualifiedname>libmolgrid::GridMaker::get_bounds_1d</qualifiedname>
         <param>
           <type>const float</type>
           <declname>grid_origin</declname>
@@ -2051,12 +2166,13 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="669" column="32"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="326" endline="354">GridMaker::calc_atom_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="392" endline="433">GridMaker::calc_atom_relevance_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="358" endline="389">GridMaker::calc_type_gradient_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="154" endline="212">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="673" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="755" bodyend="763"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -2070,6 +2186,7 @@
         <definition>CUDA_CALLABLE_MEMBER float calc_point</definition>
         <argsstring>(float ax, float ay, float az, float ar, const float3 &amp;grid_coords) const</argsstring>
         <name>calc_point</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_point</qualifiedname>
         <param>
           <type>float</type>
           <declname>ax</declname>
@@ -2087,7 +2204,7 @@
           <declname>ar</declname>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>grid_coords</declname>
         </param>
         <briefdescription>
@@ -2096,13 +2213,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="681" column="32"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="685" column="32"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
-        <definition>CUDA_CALLABLE_MEMBER float density_grad_dist</definition>
+        <definition>float density_grad_dist</definition>
         <argsstring>(float dist, float ar) const</argsstring>
         <name>density_grad_dist</name>
+        <qualifiedname>libmolgrid::GridMaker::density_grad_dist</qualifiedname>
         <param>
           <type>float</type>
           <declname>dist</declname>
@@ -2117,14 +2240,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="685" column="32"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="689" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="809" bodyend="817"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" compoundref="grid__maker_8cpp" startline="819" endline="831">GridMaker::accumulate_atom_gradient</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
-        <definition>CUDA_CALLABLE_MEMBER float type_grad_grad</definition>
+        <definition>float type_grad_grad</definition>
         <argsstring>(float a, float x, float dist, float r)</argsstring>
         <name>type_grad_grad</name>
+        <qualifiedname>libmolgrid::GridMaker::type_grad_grad</qualifiedname>
         <param>
           <type>float</type>
           <declname>a</declname>
@@ -2147,14 +2272,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="689" column="32"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="693" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="765" bodyend="778"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
-        <definition>CUDA_CALLABLE_MEMBER float atom_density_grad_grad</definition>
+        <definition>float atom_density_grad_grad</definition>
         <argsstring>(float a, float x, float dist, float r)</argsstring>
         <name>atom_density_grad_grad</name>
+        <qualifiedname>libmolgrid::GridMaker::atom_density_grad_grad</qualifiedname>
         <param>
           <type>float</type>
           <declname>a</declname>
@@ -2177,14 +2303,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="692" column="32"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="696" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="780" bodyend="793"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
-        <definition>CUDA_CALLABLE_MEMBER float atom_density_grad_grad_other</definition>
+        <definition>float atom_density_grad_grad_other</definition>
         <argsstring>(float a, float x, float b, float y, float dist, float r)</argsstring>
         <name>atom_density_grad_grad_other</name>
+        <qualifiedname>libmolgrid::GridMaker::atom_density_grad_grad_other</qualifiedname>
         <param>
           <type>float</type>
           <declname>a</declname>
@@ -2215,14 +2342,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="695" column="32"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="530" endline="672">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="699" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="795" bodyend="807"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
-        <definition>CUDA_CALLABLE_MEMBER void accumulate_atom_gradient</definition>
+        <definition>void accumulate_atom_gradient</definition>
         <argsstring>(float ax, float ay, float az, float x, float y, float z, float radius, float gridval, float3 &amp;agrad) const</argsstring>
         <name>accumulate_atom_gradient</name>
+        <qualifiedname>libmolgrid::GridMaker::accumulate_atom_gradient</qualifiedname>
         <param>
           <type>float</type>
           <declname>ax</declname>
@@ -2256,7 +2384,7 @@
           <declname>gridval</declname>
         </param>
         <param>
-          <type>float3 &amp;</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>agrad</declname>
         </param>
         <briefdescription>
@@ -2265,178 +2393,36 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="698" column="31"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="326" endline="354">GridMaker::calc_atom_gradient_cpu</referencedby>
-      </memberdef>
-      </sectiondef>
-      <sectiondef kind="friend">
-      <memberdef kind="friend" id="classlibmolgrid_1_1GridMaker_1a78e5d71de887018422348e93cb5b23aa" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
-        <templateparamlist>
-          <param>
-            <type>typename Dtype</type>
-          </param>
-        </templateparamlist>
-        <type>__global__ friend void</type>
-        <definition>__global__ friend void set_atom_gradients</definition>
-        <argsstring>(GridMaker G, float3 grid_center, Grid2fCUDA coords, Grid1fCUDA type_index, Grid1fCUDA radii, Grid&lt; Dtype, 4, true &gt; grid, Grid&lt; Dtype, 2, true &gt; atom_gradients)</argsstring>
-        <name>set_atom_gradients</name>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref></type>
-          <declname>G</declname>
-        </param>
-        <param>
-          <type>float3</type>
-          <declname>grid_center</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>coords</declname>
-        </param>
-        <param>
-          <type>Grid1fCUDA</type>
-          <declname>type_index</declname>
-        </param>
-        <param>
-          <type>Grid1fCUDA</type>
-          <declname>radii</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>grid</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>atom_gradients</declname>
-        </param>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="702" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="702" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="819" bodyend="831"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
       </memberdef>
-      <memberdef kind="friend" id="classlibmolgrid_1_1GridMaker_1a0f8e4c693386a6b58e6214dbf5d6bc24" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
-          <param>
-            <type>typename Dtype</type>
-          </param>
-          <param>
-            <type>bool</type>
-            <declname>RadiiFromTypes</declname>
-            <defname>RadiiFromTypes</defname>
-          </param>
         </templateparamlist>
-        <type>__global__ friend void</type>
-        <definition>__global__ friend void set_atom_type_gradients</definition>
-        <argsstring>(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector, unsigned ntypes, Grid1fCUDA radii, Grid&lt; Dtype, 4, true &gt; grid, Grid&lt; Dtype, 2, true &gt; atom_gradients, Grid&lt; Dtype, 2, true &gt; type_gradients)</argsstring>
-        <name>set_atom_type_gradients</name>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref></type>
-          <declname>G</declname>
-        </param>
-        <param>
-          <type>float3</type>
-          <declname>grid_origin</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>coords</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>type_vector</declname>
-        </param>
-        <param>
-          <type>unsigned</type>
-          <declname>ntypes</declname>
-        </param>
-        <param>
-          <type>Grid1fCUDA</type>
-          <declname>radii</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>grid</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>atom_gradients</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>type_gradients</declname>
-        </param>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="705" column="10"/>
-      </memberdef>
-      <memberdef kind="friend" id="classlibmolgrid_1_1GridMaker_1a946f6c876cf2f5c56798d87eb0064826" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
-        <templateparamlist>
-          <param>
-            <type>typename Dtype</type>
-          </param>
-          <param>
-            <type>bool</type>
-            <declname>RadiiFromTypes</declname>
-            <defname>RadiiFromTypes</defname>
-          </param>
-        </templateparamlist>
-        <type>__global__ friend void</type>
-        <definition>__global__ friend void set_atom_type_grad_grad</definition>
-        <argsstring>(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid2fCUDA type_vector, unsigned ntypes, Grid1fCUDA radii, Grid&lt; Dtype, 4, true &gt; diff, Grid&lt; Dtype, 2, true &gt; atom_gradients, Grid&lt; Dtype, 2, true &gt; type_gradients, Grid&lt; Dtype, 4, true &gt; diffdiff, Grid&lt; Dtype, 2, true &gt; atom_diffdiff, Grid&lt; Dtype, 2, true &gt; type_diffdiff)</argsstring>
-        <name>set_atom_type_grad_grad</name>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref></type>
-          <declname>G</declname>
-        </param>
-        <param>
-          <type>float3</type>
-          <declname>grid_origin</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>coords</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>type_vector</declname>
-        </param>
-        <param>
-          <type>unsigned</type>
-          <declname>ntypes</declname>
-        </param>
-        <param>
-          <type>Grid1fCUDA</type>
-          <declname>radii</declname>
-        </param>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>diff</declname>
-        </param>
+        <type>float</type>
+        <definition>float calc_point</definition>
+        <argsstring>(float ax, float ay, float az, float ar, const float3 &amp;grid_coords) const</argsstring>
+        <name>calc_point</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_point</qualifiedname>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>atom_gradients</declname>
+          <type>float</type>
+          <declname>ax</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>type_gradients</declname>
+          <type>float</type>
+          <declname>ay</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>diffdiff</declname>
+          <type>float</type>
+          <declname>az</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>atom_diffdiff</declname>
+          <type>float</type>
+          <declname>ar</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt;</type>
-          <declname>type_diffdiff</declname>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
+          <declname>grid_coords</declname>
         </param>
         <briefdescription>
         </briefdescription>
@@ -2444,49 +2430,35 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="709" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" line="27" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="27" bodyend="40"/>
       </memberdef>
-      <memberdef kind="friend" id="classlibmolgrid_1_1GridMaker_1a444de74b426b899118ea5e869b0387c6" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
-          <param>
-            <type>typename Dtype</type>
-          </param>
         </templateparamlist>
-        <type>__global__ friend void</type>
-        <definition>__global__ friend void set_atom_relevance</definition>
-        <argsstring>(GridMaker G, float3 grid_origin, Grid2fCUDA coords, Grid1fCUDA type_index, Grid1fCUDA radii, Grid&lt; Dtype, 4, true &gt; densitygrid, Grid&lt; Dtype, 4, true &gt; diffgrid, Grid&lt; Dtype, 1, true &gt; relevance)</argsstring>
-        <name>set_atom_relevance</name>
-        <param>
-          <type><ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref></type>
-          <declname>G</declname>
-        </param>
-        <param>
-          <type>float3</type>
-          <declname>grid_origin</declname>
-        </param>
-        <param>
-          <type>Grid2fCUDA</type>
-          <declname>coords</declname>
-        </param>
+        <type>float</type>
+        <definition>float calc_point</definition>
+        <argsstring>(float ax, float ay, float az, float ar, const float3 &amp;grid_coords) const</argsstring>
+        <name>calc_point</name>
+        <qualifiedname>libmolgrid::GridMaker::calc_point</qualifiedname>
         <param>
-          <type>Grid1fCUDA</type>
-          <declname>type_index</declname>
+          <type>float</type>
+          <declname>ax</declname>
         </param>
         <param>
-          <type>Grid1fCUDA</type>
-          <declname>radii</declname>
+          <type>float</type>
+          <declname>ay</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>densitygrid</declname>
+          <type>float</type>
+          <declname>az</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 4, true &gt;</type>
-          <declname>diffgrid</declname>
+          <type>float</type>
+          <declname>ar</declname>
         </param>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 1, true &gt;</type>
-          <declname>relevance</declname>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
+          <declname>grid_coords</declname>
         </param>
         <briefdescription>
         </briefdescription>
@@ -2494,20 +2466,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="714" column="10"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" line="43" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="43" bodyend="48"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
 <para>Populates a grid with atom density values that correspond to atoms in a <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> and accumulates atomic gradients from the grid gradients. It stores state about universal grid settings. In functions that map from atomic coordinates to grids and vice versa (e.g. forward and backward), it must be passed the grid_center (which may have changed due to transformations performed directly on the atom coordinates externally to this class) </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" line="34" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="34" bodyend="716"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" line="34" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h" bodystart="34" bodyend="722"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>A</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>accumulate_atom_gradient</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>atom_density_grad_grad</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>atom_density_grad_grad_other</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>accumulate_atom_gradient</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>atom_density_grad_grad</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>atom_density_grad_grad_other</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>B</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>backward</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>backward</name></member>
@@ -2530,11 +2502,13 @@
       <member refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_atom_gradient_cpu</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_atom_relevance_cpu</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_point</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_point</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_point</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>calc_type_gradient_cpu</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>check_index_args</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>check_vector_args</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>D</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>density_grad_dist</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>density_grad_dist</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>dim</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>dimension</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>E</name></member>
@@ -2551,7 +2525,7 @@
       <member refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>forward</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>gaussian_radius_multiple</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1acc9dc2f277b5ceed6789a7c959c9017c" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_binary</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_bounds_1d</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_bounds_1d</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a913c32e731985d3bf13d38da3eb8fbdc" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_dimension</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a35c10485c3709bff6c3976aae006590e" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_first_dim</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>get_grid_dims</name></member>
@@ -2564,17 +2538,13 @@
       <member refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>radii_type_indexed</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>radius_scale</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" prot="protected" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>resolution</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a78e5d71de887018422348e93cb5b23aa" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atom_gradients</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a444de74b426b899118ea5e869b0387c6" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atom_relevance</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a946f6c876cf2f5c56798d87eb0064826" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atom_type_grad_grad</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1a0f8e4c693386a6b58e6214dbf5d6bc24" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atom_type_gradients</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atoms</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_atoms</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_binary</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_dimension</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_radii_type_indexed</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>set_resolution</name></member>
-      <member refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>type_grad_grad</name></member>
+      <member refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" prot="public" virt="non-virtual"><scope>libmolgrid::GridMaker</scope><name>type_grad_grad</name></member>
       <member refid="classlibmolgrid_1_1GridMaker_1a54fa13dfd001613833b671405187f74b" prot="public" virt="virtual"><scope>libmolgrid::GridMaker</scope><name>~GridMaker</name></member>
     </listofallmembers>
   </compounddef>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4.xml b/docs/cpp/xml/classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4.xml
index 6900d786..b1e5c318 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</compoundname>
     <includes refid="grid_8h" local="no">grid.h</includes>
@@ -13,107 +13,146 @@
         <defname>isCUDA</defname>
       </param>
     </templateparamlist>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using type =  Dtype</definition>
+        <definition>using type = Dtype</definition>
         <argsstring></argsstring>
         <name>type</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::type</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="248" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="248" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="266" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="266" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using subgrid_t =  Dtype</definition>
+        <definition>using subgrid_t = Dtype</definition>
         <argsstring></argsstring>
         <name>subgrid_t</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::subgrid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="249" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="249" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="267" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="267" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1adc980d1b902f6a14af98e1ec10e2c96c" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, 1 &gt;</type>
-        <definition>using managed_t =  ManagedGrid&lt;Dtype,1&gt;</definition>
+        <definition>using managed_t = ManagedGrid&lt;Dtype,1&gt;</definition>
         <argsstring></argsstring>
         <name>managed_t</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::managed_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="250" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="250" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="268" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="268" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a32ca1fb679900a650a8f7ab6a128117a" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 1, false &gt;</type>
-        <definition>using cpu_grid_t =  Grid&lt;Dtype,1,false&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, 1, false &gt;</type>
+        <definition>using cpu_grid_t = Grid&lt;Dtype,1,false&gt;</definition>
         <argsstring></argsstring>
         <name>cpu_grid_t</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::cpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="251" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="251" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="269" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="269" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2177fcb80495c85151de7dad3d566744" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 1, true &gt;</type>
-        <definition>using gpu_grid_t =  Grid&lt;Dtype,1,true&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, 1, true &gt;</type>
+        <definition>using gpu_grid_t = Grid&lt;Dtype,1,true&gt;</definition>
         <argsstring></argsstring>
         <name>gpu_grid_t</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="252" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="252" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="270" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="270" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" prot="protected" static="no" mutable="no">
         <type>Dtype *</type>
         <definition>Dtype* buffer</definition>
         <argsstring></argsstring>
         <name>buffer</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::buffer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="235" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="235" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="253" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="253" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" compoundref="grid_8h" startline="284" endline="284">Grid&lt; Dtype, 1, isCUDA &gt;::data</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" compoundref="grid_8h" startline="291" endline="291">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" compoundref="grid_8h" startline="293" endline="294">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a87b462228dda8251adb1a75487d363d4" compoundref="grid_8h" startline="306" endline="308">Grid&lt; Dtype, 1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" compoundref="grid_8h" startline="310" endline="312">Grid&lt; Dtype, 1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" compoundref="grid_8h" startline="301" endline="304">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" compoundref="grid_8h" startline="289" endline="289">Grid&lt; Dtype, 1, isCUDA &gt;::set_buffer</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t dims[1]</definition>
         <argsstring>[1]</argsstring>
         <name>dims</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::dims</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="236" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="236" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="254" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="254" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" compoundref="grid_8h" startline="278" endline="278">Grid&lt; Dtype, 1, isCUDA &gt;::dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8593beea5ae18a49e3b23a395a98aa2c" compoundref="grid_8h" startline="276" endline="276">Grid&lt; Dtype, 1, isCUDA &gt;::dimensions</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" compoundref="grid_8h" startline="291" endline="291">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" compoundref="grid_8h" startline="293" endline="294">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" compoundref="grid_8h" startline="301" endline="304">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" compoundref="grid_8h" startline="281" endline="281">Grid&lt; Dtype, 1, isCUDA &gt;::size</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-attrib">
+      <memberdef kind="variable" id="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" prot="protected" static="no" mutable="no">
+        <type>size_t</type>
+        <definition>size_t offs[NumDims]</definition>
+        <argsstring>[NumDims]</argsstring>
+        <name>offs</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::offs</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="52" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="52" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr size_t</type>
-        <definition>constexpr size_t N</definition>
+        <type>size_t</type>
+        <definition>size_t N</definition>
         <argsstring></argsstring>
         <name>N</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::N</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -121,13 +160,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="254" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="254" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="272" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="272" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa01454be2537d7eed47f8c16c82b0a23" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr bool</type>
-        <definition>constexpr bool GPU</definition>
+        <type>bool</type>
+        <definition>bool GPU</definition>
         <argsstring></argsstring>
         <name>GPU</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::GPU</qualifiedname>
         <initializer>= isCUDA</initializer>
         <briefdescription>
         </briefdescription>
@@ -135,15 +175,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="255" column="27" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="255" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="273" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="273" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void check_index</definition>
         <argsstring>(size_t i, size_t dim) const</argsstring>
         <name>check_index</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::check_index</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -159,15 +200,34 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="238" column="31" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="238" bodyend="246"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="256" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="256" bodyend="264"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a483b22b3df988a8a315fe4525097cd91" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>const <ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t *</type>
-        <definition>const CUDA_CALLABLE_MEMBER size_t* dimensions</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
+        <definition>CUDA_CALLABLE_MEMBER size_t getPos</definition>
+        <argsstring>(I... indices) const</argsstring>
+        <name>getPos</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::getPos</qualifiedname>
+        <param>
+          <type>I...</type>
+          <declname>indices</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="55" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="55" bodyend="65"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8593beea5ae18a49e3b23a395a98aa2c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> const size_t *</type>
+        <definition>CUDA_CALLABLE_MEMBER const size_t * dimensions</definition>
         <argsstring>() const</argsstring>
         <name>dimensions</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::dimensions</qualifiedname>
         <briefdescription>
 <para>dimensions along each axis </para>
         </briefdescription>
@@ -175,13 +235,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="258" column="47" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="258" bodyend="258"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="276" column="47" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="276" bodyend="276"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t dimension</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>dimension</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::dimension</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -193,13 +254,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="260" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="260" bodyend="260"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="278" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="278" bodyend="278"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::size</qualifiedname>
         <briefdescription>
 <para>number of elements in grid </para>
         </briefdescription>
@@ -207,13 +270,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="263" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="263" bodyend="263"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="281" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="281" bodyend="281"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aaa5a68e1e5befda24cb7b3e422ba9cc5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype *</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype* data</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype * data</definition>
         <argsstring>() const</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::data</qualifiedname>
         <briefdescription>
 <para>pointer to underlying data </para>
         </briefdescription>
@@ -221,13 +285,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="266" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="266" bodyend="266"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="284" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="284" bodyend="284"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="333" endline="347">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> size_t</type>
         <definition>CUDA_CALLABLE_MEMBER size_t offset</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>offset</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::offset</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -238,13 +305,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="268" column="40" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="268" bodyend="268"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="286" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="286" bodyend="286"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> void</type>
         <definition>CUDA_CALLABLE_MEMBER void set_buffer</definition>
         <argsstring>(Dtype *ptr)</argsstring>
         <name>set_buffer</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::set_buffer</qualifiedname>
         <param>
           <type>Dtype *</type>
           <declname>ptr</declname>
@@ -256,26 +325,31 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="271" column="38" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="271" bodyend="271"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="289" column="38" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="289" bodyend="289"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Grid</definition>
         <argsstring>()</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::Grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="273" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="273" bodyend="273"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="291" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="291" bodyend="291"/>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="350" endline="364">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="333" endline="347">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" compoundref="grid_8h" startline="328" endline="329">Grid&lt; Dtype, 1, isCUDA &gt;::Grid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Grid</definition>
         <argsstring>(Dtype *const d, size_t sz)</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::Grid</qualifiedname>
         <param>
           <type>Dtype *const</type>
           <declname>d</declname>
@@ -290,13 +364,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="275" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="275" bodyend="276"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="293" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="293" bodyend="294"/>
       </memberdef>
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+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype &amp;</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype&amp; operator[]</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype &amp; operator[]</definition>
         <argsstring>(size_t i)</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -307,13 +382,14 @@
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         <inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="296" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="296" bodyend="299"/>
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         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype</type>
         <definition>CUDA_CALLABLE_MEMBER Dtype operator[]</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -324,13 +400,14 @@
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         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="301" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="301" bodyend="304"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8ad9fc847771943373c0ece05f3761a6" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a87b462228dda8251adb1a75487d363d4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype &amp;</type>
-        <definition>CUDA_CALLABLE_MEMBER Dtype&amp; operator()</definition>
+        <definition>CUDA_CALLABLE_MEMBER Dtype &amp; operator()</definition>
         <argsstring>(size_t a)</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::operator()</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>a</declname>
@@ -341,13 +418,14 @@
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         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="288" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="288" bodyend="290"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="306" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="306" bodyend="308"/>
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         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype</type>
         <definition>CUDA_CALLABLE_MEMBER Dtype operator()</definition>
         <argsstring>(size_t a) const</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::operator()</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>a</declname>
@@ -358,28 +436,30 @@
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         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="292" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="292" bodyend="294"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="310" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="310" bodyend="312"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void fill_zero</definition>
         <argsstring>()</argsstring>
         <name>fill_zero</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="296" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="296" bodyend="299"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="314" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="314" bodyend="324"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" prot="public" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
         <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></type>
         <definition>CUDA_CALLABLE_MEMBER Grid</definition>
         <argsstring>(const Grid&lt; Dtype, 2, isCUDA &gt; &amp;G, size_t i)</argsstring>
         <name>Grid</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::Grid</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, isCUDA &gt; &amp;</type>
+          <type>const Grid&lt; Dtype, 2, isCUDA &gt; &amp;</type>
           <declname>G</declname>
         </param>
         <param>
@@ -392,7 +472,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="302" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="303" bodyend="304"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="327" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="328" bodyend="329"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -406,8 +486,9 @@
         <definition>size_t copyTo</definition>
         <argsstring>(Grid&lt; Dtype, 1, destCUDA &gt; &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</qualifiedname>
         <param>
-          <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 1, destCUDA &gt; &amp;</type>
+          <type><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, 1, destCUDA &gt; &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
@@ -416,7 +497,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="308" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="308" bodyend="314"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="333" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="333" bodyend="347"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -430,8 +511,9 @@
         <definition>size_t copyFrom</definition>
         <argsstring>(const Grid&lt; Dtype, 1, srcCUDA &gt; &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 1, srcCUDA &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt; Dtype, 1, srcCUDA &gt; &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
@@ -440,25 +522,75 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="317" bodyend="323"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="350" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="350" bodyend="364"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> const size_t *</type>
+        <definition>CUDA_CALLABLE_MEMBER const size_t * offsets</definition>
+        <argsstring>() const</argsstring>
+        <name>offsets</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::offsets</qualifiedname>
+        <briefdescription>
+<para>offset for each dimension, all indexing calculations use this </para>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="93" column="47" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="93" bodyend="93"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type></type>
+        <definition>~Grid</definition>
+        <argsstring>()=default</argsstring>
+        <name>~Grid</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::~Grid</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="148" column="5"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> Dtype *</type>
+        <definition>CUDA_CALLABLE_MEMBER Dtype * address</definition>
+        <argsstring>(I... indices)</argsstring>
+        <name>address</name>
+        <qualifiedname>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;::address</qualifiedname>
+        <param>
+          <type>I...</type>
+          <declname>indices</declname>
+        </param>
+        <briefdescription>
+<para>Return memory address of specified index. </para>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="176" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="176" bodyend="178"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="233" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="233" bodyend="325"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="251" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="251" bodyend="366"/>
     <listofallmembers>
+      <member refid="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>address</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>buffer</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>check_index</name></member>
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+      <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>data</name></member>
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+      <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8593beea5ae18a49e3b23a395a98aa2c" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>dimensions</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>dims</name></member>
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+      <member refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>getPos</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa01454be2537d7eed47f8c16c82b0a23" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>GPU</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2177fcb80495c85151de7dad3d566744" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>gpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>Grid</name></member>
@@ -466,15 +598,18 @@
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       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>N</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" prot="protected" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>offs</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>offset</name></member>
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       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>operator()</name></member>
-      <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>operator[]</name></member>
+      <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>operator[]</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>operator[]</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>set_buffer</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>size</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>subgrid_t</name></member>
       <member refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>type</name></member>
+      <member refid="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" prot="public" virt="non-virtual"><scope>libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</scope><name>~Grid</name></member>
     </listofallmembers>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1GroupedExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1GroupedExampleRefProvider.xml
index 32285cf0..ebf735fa 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1GroupedExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1GroupedExampleRefProvider.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1GroupedExampleRefProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::GroupedExampleRefProvider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
@@ -9,25 +9,27 @@
         <type>class Provider</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1af81fd893331f7fd44ab5354517354ed2" prot="private" static="no" mutable="no">
         <type>Provider</type>
         <definition>Provider examples</definition>
         <argsstring></argsstring>
         <name>examples</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::examples</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="458" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="458" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="458" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="458" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a5cfa089271ef41687cbe76f907b4c8bf" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned batch_size</definition>
         <argsstring></argsstring>
         <name>batch_size</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::batch_size</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -35,13 +37,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="459" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="459" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="459" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="459" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1acc3e1634a8ecef5af8c46e1b9a452716" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned maxgroupsize</definition>
         <argsstring></argsstring>
         <name>maxgroupsize</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::maxgroupsize</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -49,26 +52,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="460" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="460" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="460" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="460" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a3d2cdd2733826b97f62830abd42450d3" prot="private" static="no" mutable="no">
         <type>std::unordered_map&lt; int, std::vector&lt; <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &gt; &gt;</type>
         <definition>std::unordered_map&lt;int, std::vector&lt;ExampleRef&gt; &gt; frame_groups</definition>
         <argsstring></argsstring>
         <name>frame_groups</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::frame_groups</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="462" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="462" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="462" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="462" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac5b3946d6c76d75fb1c1449e7bc1cdc3" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned current_ts</definition>
         <argsstring></argsstring>
         <name>current_ts</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::current_ts</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -76,13 +81,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="464" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="464" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="464" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="464" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0e85de43d9299f55ea04908d75e6df6a" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned current_group_index</definition>
         <argsstring></argsstring>
         <name>current_group_index</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::current_group_index</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -90,41 +96,44 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="465" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="465" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="465" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="465" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1GroupedExampleRefProvider_1abec18a1af63402d18d9a9dde26020285" prot="private" static="no" mutable="no">
         <type>std::vector&lt; int &gt;</type>
         <definition>std::vector&lt;int&gt; current_groups</definition>
         <argsstring></argsstring>
         <name>current_groups</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::current_groups</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="466" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="466" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="466" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="466" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GroupedExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>GroupedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="469" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="469" bodyend="469"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="469" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="469" bodyend="469"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>GroupedExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;parm)</argsstring>
         <name>GroupedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::GroupedExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>parm</declname>
@@ -135,13 +144,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="470" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="470" bodyend="475"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="470" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="470" bodyend="475"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -153,13 +163,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="478" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="478" bodyend="487"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="478" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="478" bodyend="487"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -167,13 +178,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="489" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="489" bodyend="491"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="489" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="489" bodyend="491"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -183,13 +195,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="493" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="493" bodyend="495"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="493" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="493" bodyend="495"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::has_group</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplements>
         <briefdescription>
         </briefdescription>
@@ -197,13 +210,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="497" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="497" bodyend="497"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="497" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="497" bodyend="497"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::check_batch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplements>
         <param>
           <type>unsigned</type>
@@ -216,13 +230,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="499" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="499" bodyend="503"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="499" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="499" bodyend="503"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -234,13 +249,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="505" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="505" bodyend="536"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="505" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="505" bodyend="536"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -248,7 +264,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="539" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="539" bodyend="542"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="539" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="539" bodyend="542"/>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8h" startline="478" endline="487">GroupedExampleRefProvider&lt; Provider &gt;::addref</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
@@ -256,6 +272,7 @@
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
@@ -264,13 +281,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="545" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="545" bodyend="548"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="545" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="545" bodyend="548"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -279,13 +297,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="550" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="550" bodyend="553"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="550" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="550" bodyend="553"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::GroupedExampleRefProvider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -294,13 +313,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="555" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="555" bodyend="561"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="555" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="555" bodyend="561"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -316,14 +336,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -332,13 +352,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -347,15 +368,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -363,21 +385,23 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>group multiple grids into a single example For example, multiple frames of an MD simulation that will be processed by an RNN. next() returns the next frame for the next example in the batch; traversal is row-major with layout TxN. Frames are maintained in the order they are added. There is a fixed batch and time series (group) size. </para>
     </briefdescription>
@@ -408,7 +432,7 @@
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="456" column="58" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="456" bodyend="562"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="456" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="456" bodyend="562"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::GroupedExampleRefProvider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a5cfa089271ef41687cbe76f907b4c8bf" prot="private" virt="non-virtual"><scope>libmolgrid::GroupedExampleRefProvider</scope><name>batch_size</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid.xml b/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid.xml
index 9bafdc68..3faf52f6 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid.xml
@@ -1,8 +1,9 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ManagedGrid" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ManagedGrid</compoundname>
-    <includes refid="grid_8h" local="no">grid.h</includes>
+    <basecompoundref refid="classlibmolgrid_1_1ManagedGridBase" prot="public" virt="non-virtual">libmolgrid::ManagedGridBase&lt; Dtype, NumDims &gt;</basecompoundref>
+    <includes refid="managed__grid_8h" local="no">managed_grid.h</includes>
     <templateparamlist>
       <param>
         <type>typename Dtype</type>
@@ -13,62 +14,288 @@
         <defname>NumDims</defname>
       </param>
     </templateparamlist>
-      <sectiondef kind="public-type">
-      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, NumDims-1 &gt;</type>
-        <definition>using subgrid_t =  ManagedGrid&lt;Dtype,NumDims-1&gt;</definition>
+    <sectiondef kind="public-type">
+      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" prot="public" static="no">
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt; Dtype, NumDims - 1 &gt;</type>
+        <definition>using subgrid_t = ManagedGrid&lt;Dtype, NumDims - 1&gt;</definition>
         <argsstring></argsstring>
         <name>subgrid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid::subgrid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="364" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="364" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="470" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="470" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt;</type>
-        <definition>using base_t =  ManagedGridBase&lt;Dtype, NumDims&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt;</type>
+        <definition>using base_t = ManagedGridBase&lt;Dtype, NumDims&gt;</definition>
         <argsstring></argsstring>
         <name>base_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid::base_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="365" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="365" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="471" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="471" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" prot="public" static="no">
+        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, true &gt;</type>
+        <definition>using gpu_grid_t = Grid&lt;Dtype, NumDims, true&gt;</definition>
+        <argsstring></argsstring>
+        <name>gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_grid_t</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="34" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="34" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" static="no">
+        <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, false &gt;</type>
+        <definition>using cpu_grid_t = Grid&lt;Dtype, NumDims, false&gt;</definition>
+        <argsstring></argsstring>
+        <name>cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_grid_t</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="35" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="35" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" static="no">
+        <type>Dtype</type>
+        <definition>using type = Dtype</definition>
+        <argsstring></argsstring>
+        <name>type</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::type</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="36" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="36" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" prot="protected" static="no" mutable="no">
         <type>friend</type>
         <definition>friend ManagedGrid&lt; Dtype, NumDims+1 &gt;</definition>
         <argsstring></argsstring>
         <name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGrid::ManagedGrid&lt; Dtype, NumDims+1 &gt;</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="515" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="515" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" prot="protected" static="no" mutable="yes">
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref></type>
+        <definition>gpu_grid_t gpu_grid</definition>
+        <argsstring></argsstring>
+        <name>gpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_grid</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="40" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="40" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" prot="protected" static="no" mutable="no">
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref></type>
+        <definition>cpu_grid_t cpu_grid</definition>
+        <argsstring></argsstring>
+        <name>cpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_grid</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="41" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="41" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" compoundref="managed__grid_8h" startline="541" endline="545">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" compoundref="managed__grid_8h" startline="547" endline="551">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" compoundref="managed__grid_8h" startline="162" endline="166">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" compoundref="managed__grid_8h" startline="169" endline="173">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" static="no" mutable="no">
+        <type>std::shared_ptr&lt; Dtype &gt;</type>
+        <definition>std::shared_ptr&lt;Dtype&gt; cpu_ptr</definition>
+        <argsstring></argsstring>
+        <name>cpu_ptr</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_ptr</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="42" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="42" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" compoundref="managed__grid_8h" startline="450" endline="453">ManagedGridBase&lt; Dtype, 1 &gt;::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" static="no" mutable="no">
+        <type>size_t</type>
+        <definition>size_t capacity</definition>
+        <argsstring></argsstring>
+        <name>capacity</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::capacity</qualifiedname>
+        <initializer>= 0</initializer>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="43" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="43" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" prot="protected" static="no" mutable="yes">
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref> *</type>
+        <definition>buffer_data* gpu_info</definition>
+        <argsstring></argsstring>
+        <name>gpu_info</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_info</qualifiedname>
+        <initializer>= nullptr</initializer>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="46" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="46" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" static="no" mutable="no">
+        <type>friend</type>
+        <definition>friend ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</definition>
+        <argsstring></argsstring>
+        <name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="456" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="456" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="protected-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>ManagedGrid</definition>
+        <argsstring>(size_t *sizes)</argsstring>
+        <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid::ManagedGrid</qualifiedname>
+        <param>
+          <type>size_t *</type>
+          <declname>sizes</declname>
+        </param>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="394" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="394" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="467" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="467" bodyend="467"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" prot="protected" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>ManagedGrid</definition>
+        <argsstring>(const ManagedGridBase&lt; Dtype, NumDims+1 &gt; &amp;G, size_t i)</argsstring>
+        <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid::ManagedGrid</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims+1 &gt; &amp;</type>
+          <declname>G</declname>
+        </param>
+        <param>
+          <type>size_t</type>
+          <declname>i</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="515" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="516" bodyend="516"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void alloc_and_set_cpu</definition>
+        <argsstring>(size_t sz)</argsstring>
+        <name>alloc_and_set_cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::alloc_and_set_cpu</qualifiedname>
+        <param>
+          <type>size_t</type>
+          <declname>sz</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="64" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="64" bodyend="90"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="124" endline="142">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="108" endline="114">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" compoundref="managed__grid_8h" startline="116" endline="122">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void clone_ptrs</definition>
+        <argsstring>()</argsstring>
+        <name>clone_ptrs</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::clone_ptrs</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="124" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="124" bodyend="142"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" compoundref="managed__grid_8h" startline="553" endline="558">ManagedGrid&lt; Dtype, 1 &gt;::clone</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" compoundref="managed__grid_8h" startline="485" endline="490">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::clone</referencedby>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ManagedGrid</definition>
         <argsstring>()=default</argsstring>
         <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid::ManagedGrid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="368" column="5"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="473" column="5"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -79,13 +306,14 @@
           </param>
           <param>
             <type>typename</type>
-            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;::type</defval>
+            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref></defval>
           </param>
         </templateparamlist>
         <type></type>
         <definition>ManagedGrid</definition>
         <argsstring>(I... sizes)</argsstring>
         <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid::ManagedGrid</qualifiedname>
         <param>
           <type>I...</type>
           <declname>sizes</declname>
@@ -96,52 +324,114 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="371" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="371" bodyend="372"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="476" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="476" bodyend="476"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024" kindref="member">subgrid_t</ref></type>
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" kindref="member">subgrid_t</ref></type>
         <definition>subgrid_t operator[]</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::ManagedGrid::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
         </param>
         <briefdescription>
-<para>Bracket indexing. </para>
         </briefdescription>
         <detaileddescription>
-<para>Accessing data this way will be safe (indices are checked) and convenient, but not maximally efficient (unless the compiler is really good). Use operator() for fastest (but unchecked) access or access data directly. </para>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="380" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="380" bodyend="384"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="478" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="478" bodyend="483"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a7ff8e1562862acfd393839e9ef444657" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
-        <definition>ManagedGrid&lt;Dtype, NumDims&gt; clone</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
+        <definition>ManagedGrid&lt; Dtype, NumDims &gt; clone</definition>
         <argsstring>() const</argsstring>
         <name>clone</name>
+        <qualifiedname>libmolgrid::ManagedGrid::clone</qualifiedname>
         <briefdescription>
-<para>Return a copy of this grid. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="387" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="387" bodyend="391"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="485" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="485" bodyend="490"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" prot="protected" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
-        <type></type>
-        <definition>ManagedGrid</definition>
-        <argsstring>(const ManagedGridBase&lt; Dtype, NumDims+1 &gt; &amp;G, size_t i)</argsstring>
-        <name>ManagedGrid</name>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>class Archive</type>
+          </param>
+        </templateparamlist>
+        <type>void</type>
+        <definition>void save</definition>
+        <argsstring>(Archive &amp;ar, const unsigned int version) const</argsstring>
+        <name>save</name>
+        <qualifiedname>libmolgrid::ManagedGrid::save</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims+1 &gt; &amp;</type>
-          <declname>G</declname>
+          <type>Archive &amp;</type>
+          <declname>ar</declname>
+        </param>
+        <param>
+          <type>const unsigned int</type>
+          <declname>version</declname>
         </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="493" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="493" bodyend="499"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>class Archive</type>
+          </param>
+        </templateparamlist>
+        <type>void</type>
+        <definition>void load</definition>
+        <argsstring>(Archive &amp;ar, const unsigned int version)</argsstring>
+        <name>load</name>
+        <qualifiedname>libmolgrid::ManagedGrid::load</qualifiedname>
+        <param>
+          <type>Archive &amp;</type>
+          <declname>ar</declname>
+        </param>
+        <param>
+          <type>const unsigned int</type>
+          <declname>version</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="502" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="502" bodyend="510"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>const size_t *</type>
+        <definition>const size_t * dimensions</definition>
+        <argsstring>() const</argsstring>
+        <name>dimensions</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::dimensions</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="145" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="145" bodyend="145"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t dimension</definition>
+        <argsstring>(size_t i) const</argsstring>
+        <name>dimension</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::dimension</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -152,28 +442,722 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="394" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="395" bodyend="396"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="146" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="146" bodyend="146"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>const size_t *</type>
+        <definition>const size_t * offsets</definition>
+        <argsstring>() const</argsstring>
+        <name>offsets</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::offsets</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="148" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="148" bodyend="148"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t offset</definition>
+        <argsstring>(size_t i) const</argsstring>
+        <name>offset</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::offset</qualifiedname>
+        <param>
+          <type>size_t</type>
+          <declname>i</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="149" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="149" bodyend="149"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t size</definition>
+        <argsstring>() const</argsstring>
+        <name>size</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::size</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="151" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="151" bodyend="151"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="569" endline="576">ManagedGrid&lt; Dtype, 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="502" endline="510">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="108" endline="114">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" compoundref="managed__grid_8h" startline="116" endline="122">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void fill_zero</definition>
+        <argsstring>()</argsstring>
+        <name>fill_zero</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::fill_zero</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="153" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="153" bodyend="159"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>typename...</type>
+            <declname>I</declname>
+            <defname>I</defname>
+          </param>
+        </templateparamlist>
+        <type>Dtype &amp;</type>
+        <definition>Dtype &amp; operator()</definition>
+        <argsstring>(I... indices)</argsstring>
+        <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator()</qualifiedname>
+        <param>
+          <type>I...</type>
+          <declname>indices</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="162" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="162" bodyend="166"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>typename...</type>
+            <declname>I</declname>
+            <defname>I</defname>
+          </param>
+        </templateparamlist>
+        <type>Dtype</type>
+        <definition>Dtype operator()</definition>
+        <argsstring>(I... indices) const</argsstring>
+        <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator()</qualifiedname>
+        <param>
+          <type>I...</type>
+          <declname>indices</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="169" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="169" bodyend="173"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyTo</definition>
+        <argsstring>(cpu_grid_t &amp;dest) const</argsstring>
+        <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
+        <param>
+          <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
+          <declname>dest</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="175" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="175" bodyend="195"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyTo</definition>
+        <argsstring>(gpu_grid_t &amp;dest) const</argsstring>
+        <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
+        <param>
+          <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
+          <declname>dest</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="197" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="197" bodyend="221"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyTo</definition>
+        <argsstring>(ManagedGridBase&lt; Dtype, NumDims &gt; &amp;dest) const</argsstring>
+        <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
+        <param>
+          <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <declname>dest</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="223" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="223" bodyend="228"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyFrom</definition>
+        <argsstring>(const cpu_grid_t &amp;src)</argsstring>
+        <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
+          <declname>src</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="230" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="230" bodyend="250"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyFrom</definition>
+        <argsstring>(const gpu_grid_t &amp;src)</argsstring>
+        <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
+          <declname>src</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="252" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="252" bodyend="276"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyFrom</definition>
+        <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
+        <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <declname>src</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="278" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="278" bodyend="283"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>size_t</type>
+        <definition>size_t copyInto</definition>
+        <argsstring>(size_t start, const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
+        <name>copyInto</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyInto</qualifiedname>
+        <param>
+          <type>size_t</type>
+          <declname>start</declname>
+        </param>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <declname>src</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="285" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="285" bodyend="331"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>typename...</type>
+            <declname>I</declname>
+            <defname>I</defname>
+          </param>
+          <param>
+            <type>typename</type>
+            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref></defval>
+          </param>
+        </templateparamlist>
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
+        <definition>ManagedGrid&lt; Dtype, NumDims &gt; resized</definition>
+        <argsstring>(I... sizes)</argsstring>
+        <name>resized</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::resized</qualifiedname>
+        <param>
+          <type>I...</type>
+          <declname>sizes</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="334" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="334" bodyend="363"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
+        <definition>const gpu_grid_t &amp; gpu</definition>
+        <argsstring>() const</argsstring>
+        <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="365" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="365" bodyend="369"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" compoundref="managed__grid_8h" startline="444" endline="444">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" compoundref="managed__grid_8h" startline="445" endline="445">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t &amp;</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
+        <definition>gpu_grid_t &amp; gpu</definition>
+        <argsstring>()</argsstring>
+        <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="370" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="370" bodyend="374"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
+        <definition>const cpu_grid_t &amp; cpu</definition>
+        <argsstring>() const</argsstring>
+        <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="376" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="376" bodyend="380"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" compoundref="managed__grid_8h" startline="441" endline="441">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" compoundref="managed__grid_8h" startline="442" endline="442">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t &amp;</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
+        <definition>cpu_grid_t &amp; cpu</definition>
+        <argsstring>()</argsstring>
+        <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="381" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="381" bodyend="385"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void togpu</definition>
+        <argsstring>(bool dotransfer=true) const</argsstring>
+        <name>togpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::togpu</qualifiedname>
+        <param>
+          <type>bool</type>
+          <declname>dotransfer</declname>
+          <defval>true</defval>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="387" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="387" bodyend="415"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" compoundref="managed__grid_8h" startline="370" endline="374">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" compoundref="managed__grid_8h" startline="365" endline="369">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="431" endline="437">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>void tocpu</definition>
+        <argsstring>(bool dotransfer=true) const</argsstring>
+        <name>tocpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::tocpu</qualifiedname>
+        <param>
+          <type>bool</type>
+          <declname>dotransfer</declname>
+          <defval>true</defval>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="417" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="417" bodyend="429"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" compoundref="managed__grid_8h" startline="381" endline="385">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" compoundref="managed__grid_8h" startline="376" endline="380">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" compoundref="managed__grid_8h" startline="541" endline="545">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" compoundref="managed__grid_8h" startline="547" endline="551">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" compoundref="managed__grid_8h" startline="162" endline="166">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" compoundref="managed__grid_8h" startline="169" endline="173">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" compoundref="managed__grid_8h" startline="529" endline="533">ManagedGrid&lt; Dtype, 1 &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" compoundref="managed__grid_8h" startline="535" endline="539">ManagedGrid&lt; Dtype, 1 &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>bool</type>
+        <definition>bool ongpu</definition>
+        <argsstring>() const</argsstring>
+        <name>ongpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ongpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="431" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="431" bodyend="437"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="153" endline="159">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="417" endline="429">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>bool</type>
+        <definition>bool oncpu</definition>
+        <argsstring>() const</argsstring>
+        <name>oncpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::oncpu</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="439" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="439" bodyend="439"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="387" endline="415">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>operator cpu_grid_t</definition>
+        <argsstring>() const</argsstring>
+        <name>operator cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator cpu_grid_t</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="441" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="441" bodyend="441"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>operator cpu_grid_t &amp;</definition>
+        <argsstring>()</argsstring>
+        <name>operator cpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator cpu_grid_t &amp;</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="442" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="442" bodyend="442"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>operator gpu_grid_t</definition>
+        <argsstring>() const</argsstring>
+        <name>operator gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator gpu_grid_t</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="444" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="444" bodyend="444"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>operator gpu_grid_t &amp;</definition>
+        <argsstring>()</argsstring>
+        <name>operator gpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator gpu_grid_t &amp;</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="445" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="445" bodyend="445"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>const Dtype *</type>
+        <definition>const Dtype * data</definition>
+        <argsstring>() const</argsstring>
+        <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::data</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="447" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="447" bodyend="447"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="569" endline="576">ManagedGrid&lt; Dtype, 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="502" endline="510">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>Dtype *</type>
+        <definition>Dtype * data</definition>
+        <argsstring>()</argsstring>
+        <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::data</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="448" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="448" bodyend="448"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type>bool</type>
+        <definition>bool operator==</definition>
+        <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;rhs) const</argsstring>
+        <name>operator==</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator==</qualifiedname>
+        <param>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <declname>rhs</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="450" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="450" bodyend="453"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="protected-type">
+      <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" static="no">
+        <type><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data</ref>&lt; Dtype &gt;</type>
+        <definition>using buffer_data = mgrid_buffer_data&lt;Dtype&gt;</definition>
+        <argsstring></argsstring>
+        <name>buffer_data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::buffer_data</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="45" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="45" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-static-attrib">
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" static="yes" constexpr="yes" mutable="no">
+        <type>size_t</type>
+        <definition>size_t N</definition>
+        <argsstring></argsstring>
+        <name>N</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::N</qualifiedname>
+        <initializer>= NumDims</initializer>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="37" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="37" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="protected-static-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" static="yes" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>void</type>
+        <definition>static void delete_buffer</definition>
+        <argsstring>(void *ptr)</argsstring>
+        <name>delete_buffer</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::delete_buffer</qualifiedname>
+        <param>
+          <type>void *</type>
+          <declname>ptr</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="50" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="50" bodyend="62"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="90">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>A dense grid whose memory is managed by the class. </para>
     </briefdescription>
     <detaileddescription>
-<para>Memory is allocated as unified memory so it can be safely accessed from either the CPU or GPU. Note that while the memory is accessible on the GPU, <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref> objects should only be used directly on the host. Device code should use a <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> view of the <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>. Accessing <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref> data from the host while the GPU is writing to the grid will result in undefined behavior.</para>
-<para>If CUDA fails to allocate unified memory (presumably due to lack of GPUs), host-only memory will be used instead.</para>
-<para><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> is a container class of <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref> instead of a base class. Explicit transformation to a <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> view is required to clearly indicate how the memory should be accessed. This can be done with cpu and gpu methods or by an explicit cast to <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>.</para>
-<para>There are two class specialization to support bracket indexing. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="20" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="20" bodyend="-1"/>
+    <inheritancegraph>
+      <node id="1">
+        <label>ManagedGrid&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGrid"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGridBase"/>
+      </node>
+    </inheritancegraph>
+    <collaborationgraph>
+      <node id="1">
+        <label>ManagedGrid&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGrid"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="4">
+        <label>Grid&lt; Dtype, NumDims, false &gt;</label>
+        <link refid="classlibmolgrid_1_1Grid"/>
+      </node>
+      <node id="3">
+        <label>Grid&lt; Dtype, NumDims, true &gt;</label>
+        <link refid="classlibmolgrid_1_1Grid"/>
+      </node>
+      <node id="2">
+        <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGridBase"/>
+        <childnode refid="3" relation="usage">
+          <edgelabel>gpu_grid</edgelabel>
+        </childnode>
+        <childnode refid="4" relation="usage">
+          <edgelabel>cpu_grid</edgelabel>
+        </childnode>
+        <childnode refid="5" relation="usage">
+          <edgelabel>cpu_ptr</edgelabel>
+        </childnode>
+        <childnode refid="6" relation="usage">
+          <edgelabel>gpu_info</edgelabel>
+        </childnode>
+      </node>
+      <node id="6">
+        <label>mgrid_buffer_data&lt; Dtype &gt;</label>
+        <link refid="structlibmolgrid_1_1mgrid__buffer__data"/>
+      </node>
+      <node id="5">
+        <label>shared_ptr&lt; Dtype &gt;</label>
+      </node>
+    </collaborationgraph>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="464" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="465" bodyend="517"/>
     <listofallmembers>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>alloc_and_set_cpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>base_t</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGrid_1a7ff8e1562862acfd393839e9ef444657" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>clone</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>buffer_data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>capacity</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>clone</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>clone_ptrs</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyFrom</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyFrom</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyFrom</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyInto</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyTo</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyTo</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>copyTo</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>cpu_grid</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>cpu_grid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>cpu_ptr</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>delete_buffer</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>dimension</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>dimensions</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>fill_zero</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>gpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>gpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>gpu_grid</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>gpu_grid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>gpu_info</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>load</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGrid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGrid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGrid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGrid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>N</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>offset</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>oncpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>ongpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator cpu_grid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator cpu_grid_t &amp;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator gpu_grid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator gpu_grid_t &amp;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator==</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>operator[]</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>subgrid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>resized</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>save</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>size</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>subgrid_t</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>tocpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>togpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid</scope><name>type</name></member>
     </listofallmembers>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ManagedGridBase.xml b/docs/cpp/xml/classlibmolgrid_1_1ManagedGridBase.xml
index e2a1cff8..26e43553 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ManagedGridBase.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ManagedGridBase.xml
@@ -1,7 +1,10 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ManagedGridBase" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ManagedGridBase</compoundname>
+    <derivedcompoundref refid="classlibmolgrid_1_1ManagedGrid" prot="public" virt="non-virtual">ManagedGrid&lt; Dtype, NumDims - 1 &gt;</derivedcompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" prot="public" virt="non-virtual">ManagedGrid&lt; Dtype, 1 &gt;</derivedcompoundref>
+    <derivedcompoundref refid="classlibmolgrid_1_1ManagedGrid" prot="public" virt="non-virtual">ManagedGrid&lt; Dtype, NumDims &gt;</derivedcompoundref>
     <includes refid="managed__grid_8h" local="no">managed_grid.h</includes>
     <templateparamlist>
       <param>
@@ -13,69 +16,73 @@
         <defname>NumDims</defname>
       </param>
     </templateparamlist>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, true &gt;</type>
-        <definition>using gpu_grid_t =  Grid&lt;Dtype, NumDims, true&gt;</definition>
+        <definition>using gpu_grid_t = Grid&lt;Dtype, NumDims, true&gt;</definition>
         <argsstring></argsstring>
         <name>gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="33" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="33" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="34" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="34" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, false &gt;</type>
-        <definition>using cpu_grid_t =  Grid&lt;Dtype, NumDims, false&gt;</definition>
+        <definition>using cpu_grid_t = Grid&lt;Dtype, NumDims, false&gt;</definition>
         <argsstring></argsstring>
         <name>cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_grid_t</qualifiedname>
         <briefdescription>
-<para>cuda grid type </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="34" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="35" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="35" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using type =  Dtype</definition>
+        <definition>using type = Dtype</definition>
         <argsstring></argsstring>
         <name>type</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::type</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="35" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="35" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="36" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="36" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-type">
+    </sectiondef>
+    <sectiondef kind="protected-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" static="no">
         <type><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data</ref>&lt; Dtype &gt;</type>
-        <definition>using buffer_data =  mgrid_buffer_data&lt;Dtype&gt;</definition>
+        <definition>using buffer_data = mgrid_buffer_data&lt;Dtype&gt;</definition>
         <argsstring></argsstring>
         <name>buffer_data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::buffer_data</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="46" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="46" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="45" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="45" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-attrib">
+    </sectiondef>
+    <sectiondef kind="public-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr size_t</type>
-        <definition>constexpr size_t N</definition>
+        <type>size_t</type>
+        <definition>size_t N</definition>
         <argsstring></argsstring>
         <name>N</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::N</qualifiedname>
         <initializer>= NumDims</initializer>
         <briefdescription>
         </briefdescription>
@@ -83,82 +90,71 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="36" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="36" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="37" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="37" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" prot="protected" static="no" mutable="yes">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref></type>
         <definition>gpu_grid_t gpu_grid</definition>
         <argsstring></argsstring>
         <name>gpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="41" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="41" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" compoundref="managed__grid_8h" startline="78" endline="91">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="137" endline="140">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" compoundref="managed__grid_8h" startline="276" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="310" endline="314">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="40" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="40" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref></type>
         <definition>cpu_grid_t cpu_grid</definition>
         <argsstring></argsstring>
         <name>cpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="42" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="42" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" compoundref="managed__grid_8h" startline="281" endline="281">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" compoundref="managed__grid_8h" startline="126" endline="126">ManagedGridBase&lt; Dtype, 1 &gt;::dimension</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" compoundref="managed__grid_8h" startline="124" endline="124">ManagedGridBase&lt; Dtype, 1 &gt;::dimensions</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="137" endline="140">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" compoundref="managed__grid_8h" startline="131" endline="131">ManagedGridBase&lt; Dtype, 1 &gt;::offset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" compoundref="managed__grid_8h" startline="129" endline="129">ManagedGridBase&lt; Dtype, 1 &gt;::offsets</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" compoundref="managed__grid_8h" startline="146" endline="149">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" compoundref="managed__grid_8h" startline="134" endline="134">ManagedGridBase&lt; Dtype, 1 &gt;::size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="41" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="41" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" compoundref="managed__grid_8h" startline="541" endline="545">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" compoundref="managed__grid_8h" startline="547" endline="551">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" compoundref="managed__grid_8h" startline="162" endline="166">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" compoundref="managed__grid_8h" startline="169" endline="173">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" static="no" mutable="no">
         <type>std::shared_ptr&lt; Dtype &gt;</type>
         <definition>std::shared_ptr&lt;Dtype&gt; cpu_ptr</definition>
         <argsstring></argsstring>
         <name>cpu_ptr</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu_ptr</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="43" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="43" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="94" endline="100">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" compoundref="managed__grid_8h" startline="331" endline="333">ManagedGridBase&lt; Dtype, 1 &gt;::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="302" endline="307">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="42" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="42" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" compoundref="managed__grid_8h" startline="450" endline="453">ManagedGridBase&lt; Dtype, 1 &gt;::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t capacity</definition>
         <argsstring></argsstring>
         <name>capacity</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::capacity</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -166,18 +162,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="44" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="44" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="94" endline="100">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="302" endline="307">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="43" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="43" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" prot="protected" static="no" mutable="yes">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref> *</type>
         <definition>buffer_data* gpu_info</definition>
         <argsstring></argsstring>
         <name>gpu_info</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu_info</qualifiedname>
         <initializer>= nullptr</initializer>
         <briefdescription>
         </briefdescription>
@@ -185,51 +178,51 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="47" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="47" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" compoundref="managed__grid_8h" startline="78" endline="91">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="94" endline="100">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" compoundref="managed__grid_8h" startline="317" endline="317">ManagedGridBase&lt; Dtype, 1 &gt;::oncpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="310" endline="314">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="302" endline="307">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="46" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="46" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
-      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a405571fa8a8314ff906c31579d2f532a" prot="protected" static="no" mutable="no">
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" static="no" mutable="no">
         <type>friend</type>
-        <definition>friend ManagedGridBase&lt; Dtype, NumDims-1 &gt;</definition>
+        <definition>friend ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</definition>
         <argsstring></argsstring>
-        <name>ManagedGridBase&lt; Dtype, NumDims-1 &gt;</name>
+        <name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="336" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="336" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="456" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="456" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" prot="protected" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ManagedGridBase</definition>
         <argsstring>()=default</argsstring>
         <name>ManagedGridBase</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase</qualifiedname>
         <briefdescription>
-<para>empty (unusable) grid </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="51" column="5"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="48" column="5"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3f1228b111e708b7bbbc452ef95e851f" compoundref="managed__grid_8h" startline="582" endline="582">ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" compoundref="managed__grid_8h" startline="527" endline="527">ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" compoundref="managed__grid_8h" startline="516" endline="516">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::ManagedGrid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" compoundref="managed__grid_8h" startline="476" endline="476">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::ManagedGrid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" compoundref="managed__grid_8h" startline="467" endline="467">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::ManagedGrid</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" compoundref="managed__grid_8h" startline="478" endline="483">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::operator[]</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void alloc_and_set_cpu</definition>
         <argsstring>(size_t sz)</argsstring>
         <name>alloc_and_set_cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::alloc_and_set_cpu</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>sz</declname>
@@ -240,28 +233,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="64" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="64" bodyend="75"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="94" endline="100">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>void</type>
-        <definition>void alloc_and_set_gpu</definition>
-        <argsstring>(size_t sz) const</argsstring>
-        <name>alloc_and_set_gpu</name>
-        <param>
-          <type>size_t</type>
-          <declname>sz</declname>
-        </param>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="78" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="78" bodyend="91"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="64" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="64" bodyend="90"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="124" endline="142">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="108" endline="114">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" compoundref="managed__grid_8h" startline="116" endline="122">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -272,13 +247,14 @@
           </param>
           <param>
             <type>typename</type>
-            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;::<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref></defval>
+            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref></defval>
           </param>
         </templateparamlist>
         <type></type>
         <definition>ManagedGridBase</definition>
         <argsstring>(I... sizes)</argsstring>
         <name>ManagedGridBase</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase</qualifiedname>
         <param>
           <type>I...</type>
           <declname>sizes</declname>
@@ -289,29 +265,50 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="94" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="94" bodyend="100"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="108" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="108" bodyend="114"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type></type>
+        <definition>ManagedGridBase</definition>
+        <argsstring>(size_t *sizes)</argsstring>
+        <name>ManagedGridBase</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase</qualifiedname>
+        <param>
+          <type>size_t *</type>
+          <declname>sizes</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="116" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="116" bodyend="122"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void clone_ptrs</definition>
         <argsstring>()</argsstring>
         <name>clone_ptrs</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::clone_ptrs</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="103" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="103" bodyend="120"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5435aa93c62edc608d2c5c4ae871fb3b" compoundref="managed__grid_8h" startline="432" endline="436">ManagedGrid&lt; Dtype, 1 &gt;::clone</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="124" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="124" bodyend="142"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" compoundref="managed__grid_8h" startline="553" endline="558">ManagedGrid&lt; Dtype, 1 &gt;::clone</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" compoundref="managed__grid_8h" startline="485" endline="490">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::clone</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" prot="protected" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ManagedGridBase</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, NumDims+1 &gt; &amp;G, size_t i)</argsstring>
         <name>ManagedGridBase</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ManagedGridBase</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims+1 &gt; &amp;</type>
+          <type>const ManagedGridBase&lt; Dtype, NumDims+1 &gt; &amp;</type>
           <declname>G</declname>
         </param>
         <param>
@@ -324,15 +321,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="337" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="337" bodyend="339"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="457" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="457" bodyend="459"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-static-func">
+    </sectiondef>
+    <sectiondef kind="protected-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" static="yes" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>static void delete_buffer</definition>
         <argsstring>(void *ptr)</argsstring>
         <name>delete_buffer</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::delete_buffer</qualifiedname>
         <param>
           <type>void *</type>
           <declname>ptr</declname>
@@ -343,111 +341,117 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="54" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="54" bodyend="61"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="50" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="50" bodyend="62"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="90">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const size_t *</type>
-        <definition>const size_t* dimensions</definition>
+        <definition>const size_t * dimensions</definition>
         <argsstring>() const</argsstring>
         <name>dimensions</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::dimensions</qualifiedname>
         <briefdescription>
-<para>dimensions along each axis </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="124" column="26" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="124" bodyend="124"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="145" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="145" bodyend="145"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t dimension</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>dimension</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::dimension</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
         </param>
         <briefdescription>
-<para>dimensions along specified axis </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="126" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="126" bodyend="126"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="146" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="146" bodyend="146"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const size_t *</type>
-        <definition>const size_t* offsets</definition>
+        <definition>const size_t * offsets</definition>
         <argsstring>() const</argsstring>
         <name>offsets</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::offsets</qualifiedname>
         <briefdescription>
-<para>offset for each dimension, all indexing calculations use this </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="129" column="26" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="129" bodyend="129"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="148" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="148" bodyend="148"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t offset</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>offset</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::offset</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
         </param>
         <briefdescription>
-<para>offset for each dimension, all indexing calculations use this </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="131" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="131" bodyend="131"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="149" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="149" bodyend="149"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::size</qualifiedname>
         <briefdescription>
-<para>number of elements in grid </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="134" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="134" bodyend="134"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="94" endline="100">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="151" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="151" bodyend="151"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="569" endline="576">ManagedGrid&lt; Dtype, 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="502" endline="510">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" compoundref="managed__grid_8h" startline="108" endline="114">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" compoundref="managed__grid_8h" startline="116" endline="122">ManagedGridBase&lt; Dtype, 1 &gt;::ManagedGridBase</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void fill_zero</definition>
         <argsstring>()</argsstring>
         <name>fill_zero</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::fill_zero</qualifiedname>
         <briefdescription>
-<para>set contents to zero </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="137" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="137" bodyend="140"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="153" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="153" bodyend="159"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename...</type>
@@ -456,21 +460,21 @@
           </param>
         </templateparamlist>
         <type>Dtype &amp;</type>
-        <definition>Dtype&amp; operator()</definition>
+        <definition>Dtype &amp; operator()</definition>
         <argsstring>(I... indices)</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
         </param>
         <briefdescription>
-<para>Initializer list indexing. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="146" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="146" bodyend="149"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="162" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="162" bodyend="166"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
@@ -484,6 +488,7 @@
         <definition>Dtype operator()</definition>
         <argsstring>(I... indices) const</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -494,142 +499,142 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="152" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="152" bodyend="155"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="169" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="169" bodyend="173"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(cpu_grid_t &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="158" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="158" bodyend="167"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="182" endline="188">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="175" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="175" bodyend="195"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(gpu_grid_t &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="170" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="170" bodyend="179"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="197" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="197" bodyend="221"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(ManagedGridBase&lt; Dtype, NumDims &gt; &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyTo</qualifiedname>
         <param>
-          <type><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="182" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="182" bodyend="188"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="223" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="223" bodyend="228"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const cpu_grid_t &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="191" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="191" bodyend="200"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="215" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="230" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="230" bodyend="250"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const gpu_grid_t &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="203" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="203" bodyend="212"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="252" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="252" bodyend="276"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyFrom</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="215" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="215" bodyend="221"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="278" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="278" bodyend="283"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyInto</definition>
         <argsstring>(size_t start, const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
         <name>copyInto</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::copyInto</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>start</declname>
         </param>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
-<para>Copy data from src into this starting at start. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="224" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="224" bodyend="243"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="285" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="285" bodyend="331"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename...</type>
@@ -638,251 +643,272 @@
           </param>
           <param>
             <type>typename</type>
-            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;::<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref></defval>
+            <defval>typename std::enable_if&lt;sizeof...(I) == NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref></defval>
           </param>
         </templateparamlist>
         <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
-        <definition>ManagedGrid&lt;Dtype, NumDims&gt; resized</definition>
+        <definition>ManagedGrid&lt; Dtype, NumDims &gt; resized</definition>
         <argsstring>(I... sizes)</argsstring>
         <name>resized</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::resized</qualifiedname>
         <param>
           <type>I...</type>
           <declname>sizes</declname>
         </param>
         <briefdescription>
-<para>Return a grid in the specified shape that attempts to reuse the memory of this grid. Memory will be allocated if needed. Data will be truncated/copied as needed. DANGER! The returned grid may or may not mirror this grid depending on the shape. This function is provided so code can be optimized to avoid unnecessary allocations and should be used carefully. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="252" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="252" bodyend="271"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="334" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="334" bodyend="363"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
-        <definition>const gpu_grid_t&amp; gpu</definition>
+        <definition>const gpu_grid_t &amp; gpu</definition>
         <argsstring>() const</argsstring>
         <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu</qualifiedname>
         <briefdescription>
-<para>Return GPU <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> view. Host code should not access the grid until the GPU code is complete. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="276" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="276" bodyend="276"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" compoundref="managed__grid_8h" startline="323" endline="323">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" compoundref="managed__grid_8h" startline="324" endline="324">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t &amp;</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="365" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="365" bodyend="369"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" compoundref="managed__grid_8h" startline="444" endline="444">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" compoundref="managed__grid_8h" startline="445" endline="445">ManagedGridBase&lt; Dtype, 1 &gt;::operator gpu_grid_t &amp;</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa5c4b729fa4facfb55cb19b51f5797cb" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
-        <definition>gpu_grid_t&amp; gpu</definition>
+        <definition>gpu_grid_t &amp; gpu</definition>
         <argsstring>()</argsstring>
         <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::gpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="277" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="277" bodyend="277"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="370" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="370" bodyend="374"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
-        <definition>const cpu_grid_t&amp; cpu</definition>
+        <definition>const cpu_grid_t &amp; cpu</definition>
         <argsstring>() const</argsstring>
         <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu</qualifiedname>
         <briefdescription>
-<para>Return CPU <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref> view. GPU code should no longer access this memory. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="281" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="281" bodyend="281"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" compoundref="managed__grid_8h" startline="327" endline="327">ManagedGridBase&lt; Dtype, 1 &gt;::data</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" compoundref="managed__grid_8h" startline="320" endline="320">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" compoundref="managed__grid_8h" startline="321" endline="321">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t &amp;</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="376" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="376" bodyend="380"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" compoundref="managed__grid_8h" startline="441" endline="441">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" compoundref="managed__grid_8h" startline="442" endline="442">ManagedGridBase&lt; Dtype, 1 &gt;::operator cpu_grid_t &amp;</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
-        <definition>cpu_grid_t&amp; cpu</definition>
+        <definition>cpu_grid_t &amp; cpu</definition>
         <argsstring>()</argsstring>
         <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::cpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="282" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="282" bodyend="282"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="381" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="381" bodyend="385"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void togpu</definition>
         <argsstring>(bool dotransfer=true) const</argsstring>
         <name>togpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::togpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>dotransfer</declname>
           <defval>true</defval>
         </param>
         <briefdescription>
-<para>Transfer data to GPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="285" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="285" bodyend="299"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" compoundref="managed__grid_8h" startline="276" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="310" endline="314">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="387" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="387" bodyend="415"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" compoundref="managed__grid_8h" startline="370" endline="374">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" compoundref="managed__grid_8h" startline="365" endline="369">ManagedGridBase&lt; Dtype, 1 &gt;::gpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" compoundref="managed__grid_8h" startline="431" endline="437">ManagedGridBase&lt; Dtype, 1 &gt;::ongpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void tocpu</definition>
         <argsstring>(bool dotransfer=true) const</argsstring>
         <name>tocpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::tocpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>dotransfer</declname>
           <defval>true</defval>
         </param>
         <briefdescription>
-<para>Transfer data to CPU. If not dotransfer, data is not copied back. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="302" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="302" bodyend="307"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" compoundref="managed__grid_8h" startline="281" endline="281">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" compoundref="managed__grid_8h" startline="327" endline="327">ManagedGridBase&lt; Dtype, 1 &gt;::data</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" compoundref="managed__grid_8h" startline="146" endline="149">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="417" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="417" bodyend="429"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" compoundref="managed__grid_8h" startline="381" endline="385">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" compoundref="managed__grid_8h" startline="376" endline="380">ManagedGridBase&lt; Dtype, 1 &gt;::cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" compoundref="managed__grid_8h" startline="541" endline="545">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" compoundref="managed__grid_8h" startline="547" endline="551">ManagedGrid&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" compoundref="managed__grid_8h" startline="162" endline="166">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" compoundref="managed__grid_8h" startline="169" endline="173">ManagedGridBase&lt; Dtype, 1 &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" compoundref="managed__grid_8h" startline="529" endline="533">ManagedGrid&lt; Dtype, 1 &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" compoundref="managed__grid_8h" startline="535" endline="539">ManagedGrid&lt; Dtype, 1 &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool ongpu</definition>
         <argsstring>() const</argsstring>
         <name>ongpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::ongpu</qualifiedname>
         <briefdescription>
-<para>Return true if memory is currently on GPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="310" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="310" bodyend="314"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="191" endline="200">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="158" endline="167">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="137" endline="140">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" compoundref="managed__grid_8h" startline="252" endline="271">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="302" endline="307">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="431" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="431" bodyend="437"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" compoundref="managed__grid_8h" startline="278" endline="283">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" compoundref="managed__grid_8h" startline="223" endline="228">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" compoundref="managed__grid_8h" startline="153" endline="159">ManagedGridBase&lt; Dtype, 1 &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" compoundref="managed__grid_8h" startline="334" endline="363">ManagedGridBase&lt; Dtype, 1 &gt;::resized</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="417" endline="429">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool oncpu</definition>
         <argsstring>() const</argsstring>
         <name>oncpu</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::oncpu</qualifiedname>
         <briefdescription>
-<para>Return true if memory is currently on CPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="317" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="317" bodyend="317"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="285" endline="299">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="439" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="439" bodyend="439"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="387" endline="415">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator cpu_grid_t</definition>
         <argsstring>() const</argsstring>
         <name>operator cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator cpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="320" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="320" bodyend="320"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="441" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="441" bodyend="441"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator cpu_grid_t &amp;</definition>
         <argsstring>()</argsstring>
         <name>operator cpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator cpu_grid_t &amp;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="321" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="321" bodyend="321"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="442" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="442" bodyend="442"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator gpu_grid_t</definition>
         <argsstring>() const</argsstring>
         <name>operator gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="323" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="323" bodyend="323"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="444" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="444" bodyend="444"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator gpu_grid_t &amp;</definition>
         <argsstring>()</argsstring>
         <name>operator gpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator gpu_grid_t &amp;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="324" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="324" bodyend="324"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="445" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="445" bodyend="445"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const Dtype *</type>
-        <definition>const Dtype* data</definition>
+        <definition>const Dtype * data</definition>
         <argsstring>() const</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::data</qualifiedname>
         <briefdescription>
-<para>Return pointer to CPU data. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="327" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="327" bodyend="327"/>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="224" endline="243">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" compoundref="managed__grid_8h" startline="54" endline="61">ManagedGridBase&lt; Dtype, 1 &gt;::delete_buffer</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="447" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="447" bodyend="447"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="569" endline="576">ManagedGrid&lt; Dtype, 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="502" endline="510">ManagedGrid&lt; Dtype, NumDims - 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" compoundref="managed__grid_8h" startline="561" endline="566">ManagedGrid&lt; Dtype, 1 &gt;::save</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aecdaa9892795d526d6d468e21ef3a2b2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype *</type>
-        <definition>Dtype* data</definition>
+        <definition>Dtype * data</definition>
         <argsstring>()</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::data</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="328" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="328" bodyend="328"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="448" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="448" bodyend="448"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool operator==</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;rhs) const</argsstring>
         <name>operator==</name>
+        <qualifiedname>libmolgrid::ManagedGridBase::operator==</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>rhs</declname>
         </param>
         <briefdescription>
@@ -891,51 +917,74 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="331" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="331" bodyend="333"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="450" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="450" bodyend="453"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref> base class. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <collaborationgraph>
+    <inheritancegraph>
+      <node id="1">
+        <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGridBase"/>
+      </node>
       <node id="3">
-        <label>shared_ptr&lt; Dtype &gt;</label>
+        <label>ManagedGrid&lt; Dtype, 1 &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>ManagedGrid&lt; Dtype, NumDims - 1 &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGrid"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
       </node>
+      <node id="4">
+        <label>ManagedGrid&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGrid"/>
+        <childnode refid="1" relation="public-inheritance">
+        </childnode>
+      </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
         <link refid="classlibmolgrid_1_1ManagedGridBase"/>
         <childnode refid="2" relation="usage">
-          <edgelabel>gpu_info</edgelabel>
+          <edgelabel>gpu_grid</edgelabel>
         </childnode>
         <childnode refid="3" relation="usage">
-          <edgelabel>cpu_ptr</edgelabel>
+          <edgelabel>cpu_grid</edgelabel>
         </childnode>
         <childnode refid="4" relation="usage">
-          <edgelabel>cpu_grid</edgelabel>
+          <edgelabel>cpu_ptr</edgelabel>
         </childnode>
         <childnode refid="5" relation="usage">
-          <edgelabel>gpu_grid</edgelabel>
+          <edgelabel>gpu_info</edgelabel>
         </childnode>
       </node>
-      <node id="4">
+      <node id="3">
         <label>Grid&lt; Dtype, NumDims, false &gt;</label>
         <link refid="classlibmolgrid_1_1Grid"/>
       </node>
       <node id="2">
+        <label>Grid&lt; Dtype, NumDims, true &gt;</label>
+        <link refid="classlibmolgrid_1_1Grid"/>
+      </node>
+      <node id="5">
         <label>mgrid_buffer_data&lt; Dtype &gt;</label>
         <link refid="structlibmolgrid_1_1mgrid__buffer__data"/>
       </node>
-      <node id="5">
-        <label>Grid&lt; Dtype, NumDims, true &gt;</label>
-        <link refid="classlibmolgrid_1_1Grid"/>
+      <node id="4">
+        <label>shared_ptr&lt; Dtype &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="31" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="31" bodyend="340"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="31" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="32" bodyend="460"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>alloc_and_set_cpu</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>alloc_and_set_gpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>buffer_data</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>capacity</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>clone_ptrs</name></member>
@@ -946,39 +995,40 @@
       <member refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>copyTo</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>copyTo</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>copyTo</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu_grid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>cpu_ptr</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>data</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aecdaa9892795d526d6d468e21ef3a2b2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>data</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>delete_buffer</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>dimension</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>dimensions</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>dimensions</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>fill_zero</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa5c4b729fa4facfb55cb19b51f5797cb" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu_grid</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>gpu_info</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1a405571fa8a8314ff906c31579d2f532a" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase&lt; Dtype, NumDims-1 &gt;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>N</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>offset</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>offsets</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>oncpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>ongpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator cpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator cpu_grid_t &amp;</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator gpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator gpu_grid_t &amp;</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>operator==</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>resized</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>resized</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>size</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>tocpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGridBase</scope><name>togpu</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4.xml b/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4.xml
index a355dcd3..f470ad35 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4.xml
@@ -1,7 +1,8 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</compoundname>
+    <basecompoundref refid="classlibmolgrid_1_1ManagedGridBase" prot="public" virt="non-virtual">libmolgrid::ManagedGridBase&lt; Dtype, NumDims &gt;</basecompoundref>
     <basecompoundref refid="classlibmolgrid_1_1ManagedGridBase" prot="public" virt="non-virtual">ManagedGridBase&lt; Dtype, 1 &gt;</basecompoundref>
     <includes refid="managed__grid_8h" local="no">managed_grid.h</includes>
     <templateparamlist>
@@ -9,186 +10,216 @@
         <type>typename Dtype</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using subgrid_t =  Dtype</definition>
+        <definition>using subgrid_t = Dtype</definition>
         <argsstring></argsstring>
         <name>subgrid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::subgrid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="405" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="405" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="523" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="523" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a07fd586f0921db2d99a7515f4de53c70" prot="public" static="no">
-        <type><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, 1 &gt;</type>
-        <definition>using base_t =  ManagedGridBase&lt;Dtype, 1&gt;</definition>
+        <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, 1 &gt;</type>
+        <definition>using base_t = ManagedGridBase&lt;Dtype, 1&gt;</definition>
         <argsstring></argsstring>
         <name>base_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::base_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="406" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="406" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="524" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="524" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, true &gt;</type>
-        <definition>using gpu_grid_t =  Grid&lt;Dtype, NumDims, true&gt;</definition>
+        <definition>using gpu_grid_t = </definition>
         <argsstring></argsstring>
         <name>gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="33" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="33" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="34" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="34" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, NumDims, false &gt;</type>
-        <definition>using cpu_grid_t =  Grid&lt;Dtype, NumDims, false&gt;</definition>
+        <definition>using cpu_grid_t = </definition>
         <argsstring></argsstring>
         <name>cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::cpu_grid_t</qualifiedname>
         <briefdescription>
-<para>cuda grid type </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="34" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="35" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="35" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" prot="public" static="no">
         <type>Dtype</type>
-        <definition>using type =  Dtype</definition>
+        <definition>using type = </definition>
         <argsstring></argsstring>
         <name>type</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::type</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="35" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="35" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="36" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="36" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a509c5cf770fc539a633de7e4a62fed08" prot="protected" static="no" mutable="no">
         <type>friend</type>
         <definition>friend ManagedGrid&lt; Dtype, 2 &gt;</definition>
         <argsstring></argsstring>
         <name>ManagedGrid&lt; Dtype, 2 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid&lt; Dtype, 2 &gt;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="440" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="440" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="581" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="581" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" prot="protected" static="no" mutable="no">
+        <type>friend</type>
+        <definition>friend ManagedGrid&lt; Dtype, NumDims+1 &gt;</definition>
+        <argsstring></argsstring>
+        <name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid&lt; Dtype, NumDims+1 &gt;</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="515" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="515" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" prot="protected" static="no" mutable="yes">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref></type>
         <definition>gpu_grid_t gpu_grid</definition>
         <argsstring></argsstring>
         <name>gpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::gpu_grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="41" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="41" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="40" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="40" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref></type>
         <definition>cpu_grid_t cpu_grid</definition>
         <argsstring></argsstring>
         <name>cpu_grid</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::cpu_grid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="42" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="42" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="41" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="41" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" static="no" mutable="no">
         <type>std::shared_ptr&lt; Dtype &gt;</type>
         <definition>std::shared_ptr&lt;Dtype&gt; cpu_ptr</definition>
         <argsstring></argsstring>
         <name>cpu_ptr</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::cpu_ptr</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="43" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="43" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="42" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="42" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t capacity</definition>
         <argsstring></argsstring>
         <name>capacity</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::capacity</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="44" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="44" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="43" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="43" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" prot="protected" static="no" mutable="yes">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref> *</type>
         <definition>buffer_data* gpu_info</definition>
         <argsstring></argsstring>
         <name>gpu_info</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::gpu_info</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="47" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="47" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="46" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="46" bodyend="-1"/>
       </memberdef>
-      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a405571fa8a8314ff906c31579d2f532a" prot="protected" static="no" mutable="no">
+      <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" static="no" mutable="no">
         <type>friend</type>
-        <definition>friend ManagedGridBase&lt; Dtype, NumDims-1 &gt;</definition>
+        <definition>friend ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</definition>
         <argsstring></argsstring>
-        <name>ManagedGridBase&lt; Dtype, NumDims-1 &gt;</name>
+        <name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="336" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="336" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="456" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="456" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ManagedGrid</definition>
         <argsstring>()=default</argsstring>
         <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="408" column="5"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="526" column="5"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" compoundref="managed__grid_8h" startline="553" endline="558">ManagedGrid&lt; Dtype, 1 &gt;::clone</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" compoundref="managed__grid_8h" startline="569" endline="576">ManagedGrid&lt; Dtype, 1 &gt;::load</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3f1228b111e708b7bbbc452ef95e851f" compoundref="managed__grid_8h" startline="582" endline="582">ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ManagedGrid</definition>
         <argsstring>(size_t sz)</argsstring>
         <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>sz</declname>
@@ -199,13 +230,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="409" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="409" bodyend="410"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="527" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="527" bodyend="527"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ada569361f39baed5fc44edff9ed2215d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype &amp;</type>
-        <definition>Dtype&amp; operator[]</definition>
+        <definition>Dtype &amp; operator[]</definition>
         <argsstring>(size_t i)</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -216,13 +248,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="412" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="412" bodyend="415"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="529" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="529" bodyend="533"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype</type>
         <definition>Dtype operator[]</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
@@ -233,13 +266,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="417" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="417" bodyend="420"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="535" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="535" bodyend="539"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae358ca901023dc35845975cad12e35de" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype &amp;</type>
-        <definition>Dtype&amp; operator()</definition>
+        <definition>Dtype &amp; operator()</definition>
         <argsstring>(size_t a)</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator()</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>a</declname>
@@ -250,13 +284,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="422" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="422" bodyend="425"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="541" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="541" bodyend="545"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype</type>
         <definition>Dtype operator()</definition>
         <argsstring>(size_t a) const</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator()</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>a</declname>
@@ -267,136 +302,192 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="427" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="427" bodyend="430"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="547" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="547" bodyend="551"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5435aa93c62edc608d2c5c4ae871fb3b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, 1 &gt;</type>
-        <definition>ManagedGrid&lt;Dtype, 1&gt; clone</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>&lt; Dtype, 1 &gt;</type>
+        <definition>ManagedGrid&lt; Dtype, 1 &gt; clone</definition>
         <argsstring>() const</argsstring>
         <name>clone</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::clone</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="553" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="553" bodyend="558"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>class Archive</type>
+          </param>
+        </templateparamlist>
+        <type>void</type>
+        <definition>void save</definition>
+        <argsstring>(Archive &amp;ar, const unsigned int version) const</argsstring>
+        <name>save</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::save</qualifiedname>
+        <param>
+          <type>Archive &amp;</type>
+          <declname>ar</declname>
+        </param>
+        <param>
+          <type>const unsigned int</type>
+          <declname>version</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="561" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="561" bodyend="566"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>class Archive</type>
+          </param>
+        </templateparamlist>
+        <type>void</type>
+        <definition>void load</definition>
+        <argsstring>(Archive &amp;ar, const unsigned int version)</argsstring>
+        <name>load</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::load</qualifiedname>
+        <param>
+          <type>Archive &amp;</type>
+          <declname>ar</declname>
+        </param>
+        <param>
+          <type>const unsigned int</type>
+          <declname>version</declname>
+        </param>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="432" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="432" bodyend="436"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="569" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="569" bodyend="576"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const size_t *</type>
-        <definition>const size_t* dimensions</definition>
+        <definition>const size_t * dimensions</definition>
         <argsstring>() const</argsstring>
         <name>dimensions</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::dimensions</qualifiedname>
         <briefdescription>
-<para>dimensions along each axis </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="124" column="26" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="124" bodyend="124"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="145" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="145" bodyend="145"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t dimension</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>dimension</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::dimension</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
         </param>
         <briefdescription>
-<para>dimensions along specified axis </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="126" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="126" bodyend="126"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="146" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="146" bodyend="146"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const size_t *</type>
-        <definition>const size_t* offsets</definition>
+        <definition>const size_t * offsets</definition>
         <argsstring>() const</argsstring>
         <name>offsets</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::offsets</qualifiedname>
         <briefdescription>
-<para>offset for each dimension, all indexing calculations use this </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="129" column="26" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="129" bodyend="129"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="148" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="148" bodyend="148"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t offset</definition>
         <argsstring>(size_t i) const</argsstring>
         <name>offset</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::offset</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>i</declname>
         </param>
         <briefdescription>
-<para>offset for each dimension, all indexing calculations use this </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="131" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="131" bodyend="131"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="149" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="149" bodyend="149"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::size</qualifiedname>
         <briefdescription>
-<para>number of elements in grid </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="134" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="134" bodyend="134"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="151" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="151" bodyend="151"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void fill_zero</definition>
         <argsstring>()</argsstring>
         <name>fill_zero</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::fill_zero</qualifiedname>
         <briefdescription>
-<para>set contents to zero </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="137" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="137" bodyend="140"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="153" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="153" bodyend="159"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype &amp;</type>
-        <definition>Dtype&amp; operator()</definition>
+        <definition>Dtype &amp; operator()</definition>
         <argsstring>(I... indices)</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
         </param>
         <briefdescription>
-<para>Initializer list indexing. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="146" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="146" bodyend="149"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="162" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="162" bodyend="166"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype</type>
         <definition>Dtype operator()</definition>
         <argsstring>(I... indices) const</argsstring>
         <name>operator()</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator()</qualifiedname>
         <param>
           <type>I...</type>
           <declname>indices</declname>
@@ -407,362 +498,370 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="152" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="152" bodyend="155"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="169" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="169" bodyend="173"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(cpu_grid_t &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="158" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="158" bodyend="167"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="175" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="175" bodyend="195"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(gpu_grid_t &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="170" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="170" bodyend="179"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="197" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="197" bodyend="221"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyTo</definition>
         <argsstring>(ManagedGridBase&lt; Dtype, NumDims &gt; &amp;dest) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyTo</qualifiedname>
         <param>
-          <type><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>dest</declname>
         </param>
         <briefdescription>
-<para>Copy data into dest. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
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         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="182" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="182" bodyend="188"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="223" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="223" bodyend="228"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const cpu_grid_t &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyFrom</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="191" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="191" bodyend="200"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="230" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="230" bodyend="250"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const gpu_grid_t &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyFrom</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
           <declname>src</declname>
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         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
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         <inbodydescription>
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-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="203" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="203" bodyend="212"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="252" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="252" bodyend="276"/>
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         <type>size_t</type>
         <definition>size_t copyFrom</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
         <name>copyFrom</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyFrom</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>src</declname>
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         <briefdescription>
-<para>Copy data from src. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
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         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="215" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="215" bodyend="221"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="278" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="278" bodyend="283"/>
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       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t copyInto</definition>
         <argsstring>(size_t start, const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;src)</argsstring>
         <name>copyInto</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::copyInto</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>start</declname>
         </param>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>src</declname>
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         <briefdescription>
-<para>Copy data from src into this starting at start. Should be same size, but will narrow if needed. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="224" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="224" bodyend="243"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="285" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="285" bodyend="331"/>
       </memberdef>
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-        <type><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
-        <definition>ManagedGrid&lt;Dtype, NumDims&gt; resized</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>&lt; Dtype, NumDims &gt;</type>
+        <definition>ManagedGrid&lt; Dtype, NumDims &gt; resized</definition>
         <argsstring>(I... sizes)</argsstring>
         <name>resized</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::resized</qualifiedname>
         <param>
           <type>I...</type>
           <declname>sizes</declname>
         </param>
         <briefdescription>
-<para>Return a grid in the specified shape that attempts to reuse the memory of this grid. Memory will be allocated if needed. Data will be truncated/copied as needed. DANGER! The returned grid may or may not mirror this grid depending on the shape. This function is provided so code can be optimized to avoid unnecessary allocations and should be used carefully. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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       </memberdef>
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+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
-        <definition>const gpu_grid_t&amp; gpu</definition>
+        <definition>const gpu_grid_t &amp; gpu</definition>
         <argsstring>() const</argsstring>
         <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::gpu</qualifiedname>
         <briefdescription>
-<para>Return GPU Grid view. Host code should not access the grid until the GPU code is complete. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="276" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="276" bodyend="276"/>
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       </memberdef>
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+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref> &amp;</type>
-        <definition>gpu_grid_t&amp; gpu</definition>
+        <definition>gpu_grid_t &amp; gpu</definition>
         <argsstring>()</argsstring>
         <name>gpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::gpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="277" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="277" bodyend="277"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="370" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="370" bodyend="374"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
-        <definition>const cpu_grid_t&amp; cpu</definition>
+        <definition>const cpu_grid_t &amp; cpu</definition>
         <argsstring>() const</argsstring>
         <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::cpu</qualifiedname>
         <briefdescription>
-<para>Return CPU Grid view. GPU code should no longer access this memory. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="281" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="281" bodyend="281"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="376" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="376" bodyend="380"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref> &amp;</type>
-        <definition>cpu_grid_t&amp; cpu</definition>
+        <definition>cpu_grid_t &amp; cpu</definition>
         <argsstring>()</argsstring>
         <name>cpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::cpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="282" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="282" bodyend="282"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="381" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="381" bodyend="385"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void togpu</definition>
         <argsstring>(bool dotransfer=true) const</argsstring>
         <name>togpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::togpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>dotransfer</declname>
           <defval>true</defval>
         </param>
         <briefdescription>
-<para>Transfer data to GPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="285" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="285" bodyend="299"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="387" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="387" bodyend="415"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void tocpu</definition>
         <argsstring>(bool dotransfer=true) const</argsstring>
         <name>tocpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::tocpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>dotransfer</declname>
           <defval>true</defval>
         </param>
         <briefdescription>
-<para>Transfer data to CPU. If not dotransfer, data is not copied back. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="302" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="302" bodyend="307"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="417" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="417" bodyend="429"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool ongpu</definition>
         <argsstring>() const</argsstring>
         <name>ongpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ongpu</qualifiedname>
         <briefdescription>
-<para>Return true if memory is currently on GPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="310" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="310" bodyend="314"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="431" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="431" bodyend="437"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool oncpu</definition>
         <argsstring>() const</argsstring>
         <name>oncpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::oncpu</qualifiedname>
         <briefdescription>
-<para>Return true if memory is currently on CPU. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="317" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="317" bodyend="317"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="439" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="439" bodyend="439"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator cpu_grid_t</definition>
         <argsstring>() const</argsstring>
         <name>operator cpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator cpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="320" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="320" bodyend="320"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="441" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="441" bodyend="441"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator cpu_grid_t &amp;</definition>
         <argsstring>()</argsstring>
         <name>operator cpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator cpu_grid_t &amp;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="321" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="321" bodyend="321"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="442" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="442" bodyend="442"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator gpu_grid_t</definition>
         <argsstring>() const</argsstring>
         <name>operator gpu_grid_t</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator gpu_grid_t</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="323" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="323" bodyend="323"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="444" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="444" bodyend="444"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>operator gpu_grid_t &amp;</definition>
         <argsstring>()</argsstring>
         <name>operator gpu_grid_t &amp;</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator gpu_grid_t &amp;</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="324" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="324" bodyend="324"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="445" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="445" bodyend="445"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const Dtype *</type>
-        <definition>const Dtype* data</definition>
+        <definition>const Dtype * data</definition>
         <argsstring>() const</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::data</qualifiedname>
         <briefdescription>
-<para>Return pointer to CPU data. </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="327" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="327" bodyend="327"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="447" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="447" bodyend="447"/>
       </memberdef>
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+      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>Dtype *</type>
-        <definition>Dtype* data</definition>
+        <definition>Dtype * data</definition>
         <argsstring>()</argsstring>
         <name>data</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::data</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="328" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="328" bodyend="328"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="448" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="448" bodyend="448"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool operator==</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, NumDims &gt; &amp;rhs) const</argsstring>
         <name>operator==</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::operator==</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, NumDims &gt; &amp;</type>
           <declname>rhs</declname>
         </param>
         <briefdescription>
@@ -771,17 +870,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="331" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="331" bodyend="333"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="450" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="450" bodyend="453"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-func">
+    </sectiondef>
+    <sectiondef kind="protected-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3f1228b111e708b7bbbc452ef95e851f" prot="protected" static="no" const="no" explicit="yes" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ManagedGrid</definition>
         <argsstring>(const ManagedGridBase&lt; Dtype, 2 &gt; &amp;G, size_t i)</argsstring>
         <name>ManagedGrid</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::ManagedGrid</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt; Dtype, 2 &gt; &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt; Dtype, 2 &gt; &amp;</type>
           <declname>G</declname>
         </param>
         <param>
@@ -794,13 +894,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="440" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="441" bodyend="442"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="581" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="582" bodyend="582"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void alloc_and_set_cpu</definition>
         <argsstring>(size_t sz)</argsstring>
         <name>alloc_and_set_cpu</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::alloc_and_set_cpu</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>sz</declname>
@@ -811,75 +912,62 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="64" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="64" bodyend="75"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" prot="protected" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>void</type>
-        <definition>void alloc_and_set_gpu</definition>
-        <argsstring>(size_t sz) const</argsstring>
-        <name>alloc_and_set_gpu</name>
-        <param>
-          <type>size_t</type>
-          <declname>sz</declname>
-        </param>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="78" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="78" bodyend="91"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="64" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="64" bodyend="90"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void clone_ptrs</definition>
         <argsstring>()</argsstring>
         <name>clone_ptrs</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::clone_ptrs</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="103" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="103" bodyend="120"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="124" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="124" bodyend="142"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-type">
+    </sectiondef>
+    <sectiondef kind="protected-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" static="no">
         <type><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data</ref>&lt; Dtype &gt;</type>
-        <definition>using buffer_data =  mgrid_buffer_data&lt;Dtype&gt;</definition>
+        <definition>using buffer_data = </definition>
         <argsstring></argsstring>
         <name>buffer_data</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::buffer_data</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="46" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="46" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="45" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="45" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-attrib">
+    </sectiondef>
+    <sectiondef kind="public-static-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" static="yes" constexpr="yes" mutable="no">
-        <type>constexpr size_t</type>
-        <definition>constexpr size_t N</definition>
+        <type>size_t</type>
+        <definition>size_t N</definition>
         <argsstring></argsstring>
         <name>N</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::N</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="36" column="29" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="36" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="37" column="29" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="37" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-static-func">
+    </sectiondef>
+    <sectiondef kind="protected-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" static="yes" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>static void delete_buffer</definition>
         <argsstring>(void *ptr)</argsstring>
         <name>delete_buffer</name>
+        <qualifiedname>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;::delete_buffer</qualifiedname>
         <param>
           <type>void *</type>
           <declname>ptr</declname>
@@ -890,9 +978,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="54" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="54" bodyend="61"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="50" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="50" bodyend="62"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
@@ -903,59 +991,70 @@
         <link refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
+        <childnode refid="3" relation="public-inheritance">
+        </childnode>
       </node>
-      <node id="2">
+      <node id="3">
         <label>ManagedGridBase&lt; Dtype, 1 &gt;</label>
         <link refid="classlibmolgrid_1_1ManagedGridBase"/>
       </node>
+      <node id="2">
+        <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGridBase"/>
+      </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="4">
-        <label>shared_ptr&lt; Dtype &gt;</label>
-      </node>
       <node id="1">
         <label>ManagedGrid&lt; Dtype, 1 &gt;</label>
         <link refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
+        <childnode refid="7" relation="public-inheritance">
+        </childnode>
       </node>
-      <node id="2">
+      <node id="4">
+        <label>Grid&lt; Dtype, NumDims, false &gt;</label>
+        <link refid="classlibmolgrid_1_1Grid"/>
+      </node>
+      <node id="3">
+        <label>Grid&lt; Dtype, NumDims, true &gt;</label>
+        <link refid="classlibmolgrid_1_1Grid"/>
+      </node>
+      <node id="7">
         <label>ManagedGridBase&lt; Dtype, 1 &gt;</label>
         <link refid="classlibmolgrid_1_1ManagedGridBase"/>
+      </node>
+      <node id="2">
+        <label>ManagedGridBase&lt; Dtype, NumDims &gt;</label>
+        <link refid="classlibmolgrid_1_1ManagedGridBase"/>
         <childnode refid="3" relation="usage">
-          <edgelabel>gpu_info</edgelabel>
+          <edgelabel>gpu_grid</edgelabel>
         </childnode>
         <childnode refid="4" relation="usage">
-          <edgelabel>cpu_ptr</edgelabel>
+          <edgelabel>cpu_grid</edgelabel>
         </childnode>
         <childnode refid="5" relation="usage">
-          <edgelabel>cpu_grid</edgelabel>
+          <edgelabel>cpu_ptr</edgelabel>
         </childnode>
         <childnode refid="6" relation="usage">
-          <edgelabel>gpu_grid</edgelabel>
+          <edgelabel>gpu_info</edgelabel>
         </childnode>
       </node>
-      <node id="5">
-        <label>Grid&lt; Dtype, NumDims, false &gt;</label>
-        <link refid="classlibmolgrid_1_1Grid"/>
-      </node>
-      <node id="3">
+      <node id="6">
         <label>mgrid_buffer_data&lt; Dtype &gt;</label>
         <link refid="structlibmolgrid_1_1mgrid__buffer__data"/>
       </node>
-      <node id="6">
-        <label>Grid&lt; Dtype, NumDims, true &gt;</label>
-        <link refid="classlibmolgrid_1_1Grid"/>
+      <node id="5">
+        <label>shared_ptr&lt; Dtype &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="403" column="44" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="403" bodyend="444"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="520" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="521" bodyend="583"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>alloc_and_set_cpu</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>alloc_and_set_gpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a07fd586f0921db2d99a7515f4de53c70" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>base_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>buffer_data</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>capacity</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5435aa93c62edc608d2c5c4ae871fb3b" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>clone</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>clone</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>clone_ptrs</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>copyFrom</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>copyFrom</name></member>
@@ -964,47 +1063,55 @@
       <member refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>copyTo</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>copyTo</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>copyTo</name></member>
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-      <member refid="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>cpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>cpu</name></member>
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       <member refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>cpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>cpu_ptr</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>data</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>data</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>data</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>delete_buffer</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>dimension</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>dimensions</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>fill_zero</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>gpu</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>gpu</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>load</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" prot="protected" virt="non-virtual" ambiguityscope="libmolgrid::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGridBase</name></member>
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+      <member refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" prot="protected" virt="non-virtual" ambiguityscope="libmolgrid::ManagedGridBase&lt; Dtype, 1 &gt;::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" prot="protected" virt="non-virtual" ambiguityscope="libmolgrid::ManagedGridBase&lt; Dtype, 1 &gt;::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" prot="protected" virt="non-virtual" ambiguityscope="libmolgrid::ManagedGridBase&lt; Dtype, 1 &gt;::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGridBase</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" prot="protected" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>N</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>offset</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>offsets</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>offsets</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>oncpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>ongpu</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator cpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator cpu_grid_t &amp;</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator gpu_grid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator gpu_grid_t &amp;</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae358ca901023dc35845975cad12e35de" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" prot="public" virt="non-virtual" ambiguityscope="ManagedGridBase&lt; Dtype, 1 &gt;::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" virt="non-virtual" ambiguityscope="ManagedGridBase&lt; Dtype, 1 &gt;::"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator()</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator==</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ada569361f39baed5fc44edff9ed2215d" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator[]</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator[]</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>operator[]</name></member>
-      <member refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>resized</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>resized</name></member>
+      <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>save</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>size</name></member>
       <member refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>subgrid_t</name></member>
       <member refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" prot="public" virt="non-virtual"><scope>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</scope><name>tocpu</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1MappedAtomIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1MappedAtomIndexTyper.xml
index fcd61cb6..77e6cb48 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1MappedAtomIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1MappedAtomIndexTyper.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1MappedAtomIndexTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::MappedAtomIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</basecompoundref>
@@ -12,63 +12,67 @@
         <type>class Typer</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="protected-attrib">
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" static="no" mutable="no">
         <type>Mapper</type>
         <definition>Mapper mapper</definition>
         <argsstring></argsstring>
         <name>mapper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::mapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" compoundref="atom__typer_8h" startline="355" endline="360">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_atom_type_index</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" compoundref="atom__typer_8h" startline="363" endline="368">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_int_type</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" compoundref="atom__typer_8h" startline="371" endline="373">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_type_names</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::MappedAtomIndexTyper</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" compoundref="atom__typer_8h" startline="350" endline="352">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::num_types</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" compoundref="atom__typer_8h" startline="355" endline="360">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_atom_type_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" compoundref="atom__typer_8h" startline="363" endline="368">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_int_type</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" compoundref="atom__typer_8h" startline="371" endline="373">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_type_names</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::MappedAtomIndexTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" compoundref="atom__typer_8h" startline="350" endline="352">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::num_types</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" static="no" mutable="no">
         <type>Typer</type>
         <definition>Typer typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" compoundref="atom__typer_8h" startline="355" endline="360">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_atom_type_index</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" compoundref="atom__typer_8h" startline="363" endline="368">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_int_type</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::MappedAtomIndexTyper</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" compoundref="atom__typer_8h" startline="355" endline="360">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_atom_type_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" compoundref="atom__typer_8h" startline="363" endline="368">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_int_type</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::MappedAtomIndexTyper</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; type_radii</definition>
         <argsstring></argsstring>
         <name>type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::type_radii</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="376" endline="376">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_type_radii</referencedby>
-        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::MappedAtomIndexTyper</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" compoundref="atom__typer_8h" startline="376" endline="376">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::get_type_radii</referencedby>
+        <referencedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" compoundref="atom__typer_8h" startline="322" endline="345">MappedAtomIndexTyper&lt; Mapper, Typer &gt;::MappedAtomIndexTyper</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>MappedAtomIndexTyper</definition>
         <argsstring>(const Mapper &amp;map, const Typer &amp;typr)</argsstring>
         <name>MappedAtomIndexTyper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::MappedAtomIndexTyper</qualifiedname>
         <param>
           <type>const Mapper &amp;</type>
           <declname>map</declname>
@@ -83,26 +87,28 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="322" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="322" bodyend="345"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="322" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="322" bodyend="345"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a65b67c975d90af1716ddb333a8fb46e4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~MappedAtomIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>~MappedAtomIndexTyper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::~MappedAtomIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="347" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="347" bodyend="347"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="347" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="347" bodyend="347"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -111,14 +117,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -130,14 +137,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -149,14 +157,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -164,14 +173,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>radii are the average of the underlying mapped types </para>
         </briefdescription>
@@ -179,13 +189,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -201,13 +212,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -215,15 +227,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -242,21 +255,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Wrap an atom typer with a mapper. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>MappedAtomIndexTyper&lt; Mapper, Typer &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
@@ -269,12 +278,12 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="3">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>MappedAtomIndexTyper&lt; Mapper, Typer &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
@@ -290,19 +299,23 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
       <node id="4">
         <label>vector&lt; float &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="315" column="49" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="315" bodyend="378"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="315" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="315" bodyend="378"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" virt="non-virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>MappedAtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" virt="non-virtual"><scope>libmolgrid::MappedAtomIndexTyper</scope><name>mapper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1MetalContext.xml b/docs/cpp/xml/classlibmolgrid_1_1MetalContext.xml
new file mode 100644
index 00000000..98550cee
--- /dev/null
+++ b/docs/cpp/xml/classlibmolgrid_1_1MetalContext.xml
@@ -0,0 +1,736 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="classlibmolgrid_1_1MetalContext" kind="class" language="C++" prot="public">
+    <compoundname>libmolgrid::MetalContext</compoundname>
+    <includes refid="metal__context_8h" local="no">metal_context.h</includes>
+    <sectiondef kind="private-attrib">
+      <memberdef kind="variable" id="classlibmolgrid_1_1MetalContext_1aa92148db787ec82eb678ff27c7ac21ba" prot="private" static="no" mutable="no">
+        <type>Impl *</type>
+        <definition>Impl* impl_</definition>
+        <argsstring></argsstring>
+        <name>impl_</name>
+        <qualifiedname>libmolgrid::MetalContext::impl_</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="169" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="169" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-static-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1ae321969c74eacd13c9b40b985767db5c" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>MetalContext &amp;</type>
+        <definition>static MetalContext &amp; instance</definition>
+        <argsstring>()</argsstring>
+        <name>instance</name>
+        <qualifiedname>libmolgrid::MetalContext::instance</qualifiedname>
+        <briefdescription>
+<para>Return the process-wide singleton. </para>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="54" column="25"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1ae5a02f3075f1843fa46a433d2b16efc8" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void transform_forward</definition>
+        <argsstring>(unsigned n, const QuatParams &amp;Q, float3 center, float3 translate, const float *in, float *out, bool dotranslate)</argsstring>
+        <name>transform_forward</name>
+        <qualifiedname>libmolgrid::MetalContext::transform_forward</qualifiedname>
+        <param>
+          <type>unsigned</type>
+          <declname>n</declname>
+        </param>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref> &amp;</type>
+          <declname>Q</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>center</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>translate</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>in</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>out</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>dotranslate</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="58" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a90350a40a1c470c141d44d320461e201" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void transform_backward</definition>
+        <argsstring>(unsigned n, const QuatParams &amp;invQ, float3 center, float3 translate, const float *in, float *out, bool dotranslate)</argsstring>
+        <name>transform_backward</name>
+        <qualifiedname>libmolgrid::MetalContext::transform_backward</qualifiedname>
+        <param>
+          <type>unsigned</type>
+          <declname>n</declname>
+        </param>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref> &amp;</type>
+          <declname>invQ</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>center</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>translate</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>in</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>out</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>dotranslate</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="64" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a4ed04e95643aa7da2f6e1d63a19c7bf9" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void sum_vector_types</definition>
+        <argsstring>(const float *types, unsigned natoms, unsigned ntypes, float *sum)</argsstring>
+        <name>sum_vector_types</name>
+        <qualifiedname>libmolgrid::MetalContext::sum_vector_types</qualifiedname>
+        <param>
+          <type>const float *</type>
+          <declname>types</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>sum</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="72" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a7ef7d7a9abc2fbcdcad9a4fd211ba68b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void sum_index_types</definition>
+        <argsstring>(const float *type_index, unsigned natoms, unsigned ntypes, float *sum)</argsstring>
+        <name>sum_index_types</name>
+        <qualifiedname>libmolgrid::MetalContext::sum_index_types</qualifiedname>
+        <param>
+          <type>const float *</type>
+          <declname>type_index</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>sum</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="75" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a05e75cadeeecf3682f850672d7ef615f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void forward_index</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, unsigned natoms, const float *type_index, const float *radii, float *out, unsigned ntypes, unsigned dim, bool binary)</argsstring>
+        <name>forward_index</name>
+        <qualifiedname>libmolgrid::MetalContext::forward_index</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_index</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>out</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>binary</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="81" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a882b75575ae1889226bbe760756c218c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void forward_vec</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, unsigned natoms, const float *type_vector, unsigned ntypes, const float *radii, float maxradius, float *out, unsigned dim, bool binary, bool radii_type_indexed)</argsstring>
+        <name>forward_vec</name>
+        <qualifiedname>libmolgrid::MetalContext::forward_vec</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_vector</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>maxradius</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>out</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>binary</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>radii_type_indexed</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="91" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a19739d441229acd3b734d7fcb38a2446" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void backward_index</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, const float *type_index, const float *radii, const float *grid, float *atom_gradients, unsigned natoms, unsigned ntypes, unsigned dim)</argsstring>
+        <name>backward_index</name>
+        <qualifiedname>libmolgrid::MetalContext::backward_index</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_index</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>grid</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>atom_gradients</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="101" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a00024e9e2ddbabb54afbe1bf72a7524d" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void backward_vec</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, const float *type_vector, unsigned ntypes, const float *radii, const float *grid, float *atom_gradients, float *type_gradients, unsigned natoms, unsigned dim, bool radii_type_indexed)</argsstring>
+        <name>backward_vec</name>
+        <qualifiedname>libmolgrid::MetalContext::backward_vec</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_vector</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>grid</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>atom_gradients</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>type_gradients</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>radii_type_indexed</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="110" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a7bc2c6add7e0c9f38242a238d35580cc" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void backward_gradients</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, const float *type_vector, unsigned ntypes, const float *radii, const float *diff, const float *atom_gradients, const float *type_gradients, float *diffdiff, float *atom_diffdiff, float *type_diffdiff, unsigned natoms, unsigned dim, bool radii_type_indexed)</argsstring>
+        <name>backward_gradients</name>
+        <qualifiedname>libmolgrid::MetalContext::backward_gradients</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_vector</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>diff</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>atom_gradients</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_gradients</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>diffdiff</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>atom_diffdiff</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>type_diffdiff</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <param>
+          <type>bool</type>
+          <declname>radii_type_indexed</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="121" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a38708a303cbb4863a1a7dab10c52f2d6" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void backward_relevance</definition>
+        <argsstring>(const GridMakerParams &amp;gm, float3 grid_origin, const float *coords, const float *type_index, const float *radii, const float *density, const float *diff, float *relevance, unsigned natoms, unsigned ntypes, unsigned dim)</argsstring>
+        <name>backward_relevance</name>
+        <qualifiedname>libmolgrid::MetalContext::backward_relevance</qualifiedname>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref> &amp;</type>
+          <declname>gm</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>grid_origin</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>coords</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>type_index</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>radii</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>density</declname>
+        </param>
+        <param>
+          <type>const float *</type>
+          <declname>diff</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>relevance</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>natoms</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>ntypes</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>dim</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="135" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a3f18f716da84cc0d4dedfc9cce239d89" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void grid_interpolate</definition>
+        <argsstring>(const float *in, unsigned in_dim, float3 in_origin, float in_res, const QuatParams &amp;invQ, float3 untranslate, float3 center, float *out, unsigned out_dim, float3 out_origin, float out_res)</argsstring>
+        <name>grid_interpolate</name>
+        <qualifiedname>libmolgrid::MetalContext::grid_interpolate</qualifiedname>
+        <param>
+          <type>const float *</type>
+          <declname>in</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>in_dim</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>in_origin</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>in_res</declname>
+        </param>
+        <param>
+          <type>const <ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref> &amp;</type>
+          <declname>invQ</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>untranslate</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>center</declname>
+        </param>
+        <param>
+          <type>float *</type>
+          <declname>out</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>out_dim</declname>
+        </param>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>out_origin</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>out_res</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="147" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a4c578a8ed0ed5d51eb74fcdda179f956" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>void</type>
+        <definition>void synchronize</definition>
+        <argsstring>()</argsstring>
+        <name>synchronize</name>
+        <qualifiedname>libmolgrid::MetalContext::synchronize</qualifiedname>
+        <briefdescription>
+<para>Block the CPU until all enqueued GPU work completes. </para>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="157" column="10"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1aad45956d4fcddc30c0885bd183a880b9" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>float</type>
+        <definition>float max_element</definition>
+        <argsstring>(const float *data, size_t n)</argsstring>
+        <name>max_element</name>
+        <qualifiedname>libmolgrid::MetalContext::max_element</qualifiedname>
+        <param>
+          <type>const float *</type>
+          <declname>data</declname>
+        </param>
+        <param>
+          <type>size_t</type>
+          <declname>n</declname>
+        </param>
+        <briefdescription>
+<para>Find the maximum value in a float array on GPU (uses CPU on unified mem). </para>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="160" column="11"/>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="private-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1ad001cbe9cb63416d5fe7582026421fd7" prot="private" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type></type>
+        <definition>MetalContext</definition>
+        <argsstring>()</argsstring>
+        <name>MetalContext</name>
+        <qualifiedname>libmolgrid::MetalContext::MetalContext</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="163" column="5"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1ad0cb3c2b5c36b59a374871e0eaa23ff6" prot="private" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type></type>
+        <definition>~MetalContext</definition>
+        <argsstring>()</argsstring>
+        <name>~MetalContext</name>
+        <qualifiedname>libmolgrid::MetalContext::~MetalContext</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="164" column="5"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a6fe1e3995ba31bc75d1b6632152befb8" prot="private" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type></type>
+        <definition>MetalContext</definition>
+        <argsstring>(const MetalContext &amp;)=delete</argsstring>
+        <name>MetalContext</name>
+        <qualifiedname>libmolgrid::MetalContext::MetalContext</qualifiedname>
+        <param>
+          <type>const MetalContext &amp;</type>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="165" column="5"/>
+      </memberdef>
+      <memberdef kind="function" id="classlibmolgrid_1_1MetalContext_1a6da824949dba4c6248cf375b7a99ba53" prot="private" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>MetalContext &amp;</type>
+        <definition>MetalContext &amp; operator=</definition>
+        <argsstring>(const MetalContext &amp;)=delete</argsstring>
+        <name>operator=</name>
+        <qualifiedname>libmolgrid::MetalContext::operator=</qualifiedname>
+        <param>
+          <type>const MetalContext &amp;</type>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="166" column="18"/>
+      </memberdef>
+    </sectiondef>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="51" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="51" bodyend="170"/>
+    <listofallmembers>
+      <member refid="classlibmolgrid_1_1MetalContext_1a7bc2c6add7e0c9f38242a238d35580cc" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>backward_gradients</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a19739d441229acd3b734d7fcb38a2446" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>backward_index</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a38708a303cbb4863a1a7dab10c52f2d6" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>backward_relevance</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a00024e9e2ddbabb54afbe1bf72a7524d" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>backward_vec</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a05e75cadeeecf3682f850672d7ef615f" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>forward_index</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a882b75575ae1889226bbe760756c218c" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>forward_vec</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a3f18f716da84cc0d4dedfc9cce239d89" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>grid_interpolate</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1aa92148db787ec82eb678ff27c7ac21ba" prot="private" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>impl_</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1ae321969c74eacd13c9b40b985767db5c" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>instance</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1aad45956d4fcddc30c0885bd183a880b9" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>max_element</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1ad001cbe9cb63416d5fe7582026421fd7" prot="private" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>MetalContext</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a6fe1e3995ba31bc75d1b6632152befb8" prot="private" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>MetalContext</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a6da824949dba4c6248cf375b7a99ba53" prot="private" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>operator=</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a7ef7d7a9abc2fbcdcad9a4fd211ba68b" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>sum_index_types</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a4ed04e95643aa7da2f6e1d63a19c7bf9" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>sum_vector_types</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a4c578a8ed0ed5d51eb74fcdda179f956" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>synchronize</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1a90350a40a1c470c141d44d320461e201" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>transform_backward</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1ae5a02f3075f1843fa46a433d2b16efc8" prot="public" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>transform_forward</name></member>
+      <member refid="classlibmolgrid_1_1MetalContext_1ad0cb3c2b5c36b59a374871e0eaa23ff6" prot="private" virt="non-virtual"><scope>libmolgrid::MetalContext</scope><name>~MetalContext</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1NullIndexTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1NullIndexTyper.xml
index ce33b0d8..6d2abc62 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1NullIndexTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1NullIndexTyper.xml
@@ -1,41 +1,44 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1NullIndexTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::NullIndexTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTyper" prot="public" virt="non-virtual">AtomIndexTyper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>NullIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>NullIndexTyper</name>
+        <qualifiedname>libmolgrid::NullIndexTyper::NullIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="249" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="249" bodyend="249"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="249" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="249" bodyend="249"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a02967c797c0102406a258d81dd85919c" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type></type>
         <definition>virtual ~NullIndexTyper</definition>
         <argsstring>()</argsstring>
         <name>~NullIndexTyper</name>
+        <qualifiedname>libmolgrid::NullIndexTyper::~NullIndexTyper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="250" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="250" bodyend="250"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="250" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="250" bodyend="250"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::NullIndexTyper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
@@ -44,14 +47,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="253" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="253" bodyend="253"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="253" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="253" bodyend="253"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::NullIndexTyper::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -63,14 +67,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="256" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="256" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="256" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="256" bodyend="256"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::NullIndexTyper::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -82,14 +87,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="259" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="259" bodyend="259"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="259" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="259" bodyend="259"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::NullIndexTyper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -97,14 +103,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="262" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="262" bodyend="262"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="262" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="262" bodyend="262"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplements>
+        <qualifiedname>libmolgrid::NullIndexTyper::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>return atomic radius of each type, generic type is given zero radius </para>
         </briefdescription>
@@ -112,13 +119,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="265" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="265" bodyend="265"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="265" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="265" bodyend="265"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::get_atom_type_vector</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
@@ -134,13 +142,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::is_vector_typer</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
         <briefdescription>
         </briefdescription>
@@ -148,15 +157,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::AtomIndexTyper::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -175,21 +185,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
         <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
         <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Always return an invalid type. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="3">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="1">
         <label>NullIndexTyper</label>
         <link refid="classlibmolgrid_1_1NullIndexTyper"/>
@@ -202,12 +208,12 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="3">
         <label>AtomTyper</label>
         <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>NullIndexTyper</label>
         <link refid="classlibmolgrid_1_1NullIndexTyper"/>
@@ -220,16 +226,20 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="3">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="246" column="43" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="246" bodyend="266"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="246" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="246" bodyend="266"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::NullIndexTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::NullIndexTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1NullIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1NullIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1NullIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1NullIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1NullIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1NullIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1NullIndexTyper_1a2b5c5e1f4b1107290a85a2732dcc7a8e" prot="public" virt="non-virtual"><scope>libmolgrid::NullIndexTyper</scope><name>NullIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::NullIndexTyper</scope><name>num_types</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1Quaternion.xml b/docs/cpp/xml/classlibmolgrid_1_1Quaternion.xml
index 115818d5..e17bd139 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1Quaternion.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1Quaternion.xml
@@ -1,136 +1,162 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1Quaternion" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::Quaternion</compoundname>
     <includes refid="quaternion_8h" local="no">quaternion.h</includes>
-      <sectiondef kind="public-type">
+    <sectiondef kind="public-type">
       <memberdef kind="typedef" id="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" prot="public" static="no">
         <type>float</type>
         <definition>typedef float fl</definition>
         <argsstring></argsstring>
         <name>fl</name>
+        <qualifiedname>libmolgrid::Quaternion::fl</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="19" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="19" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="17" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="17" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
         <definition>fl a</definition>
         <argsstring></argsstring>
         <name>a</name>
+        <qualifiedname>libmolgrid::Quaternion::a</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="22" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="22" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" compoundref="quaternion_8h" startline="129" endline="131">Quaternion::conj</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" compoundref="quaternion_8h" startline="163" endline="166">Quaternion::inverse</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" compoundref="quaternion_8h" startline="140" endline="142">Quaternion::norm</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" compoundref="quaternion_8h" startline="58" endline="64">Quaternion::operator*=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" compoundref="quaternion_8h" startline="76" endline="78">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" compoundref="quaternion_8h" startline="67" endline="73">Quaternion::operator/=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" compoundref="quaternion_8h" startline="100" endline="102">Quaternion::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" compoundref="quaternion_8h" startline="38" endline="40">Quaternion::R_component_1</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="20" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="20" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" compoundref="quaternion_8h" startline="125" endline="127">Quaternion::conj</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" compoundref="quaternion_8h" startline="158" endline="161">Quaternion::inverse</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" compoundref="quaternion_8h" startline="135" endline="137">Quaternion::norm</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" compoundref="quaternion_8h" startline="26" endline="28">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" compoundref="quaternion_8h" startline="31" endline="33">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" compoundref="quaternion_8h" startline="36" endline="38">Quaternion::R_component_1</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
         <definition>fl b</definition>
         <argsstring></argsstring>
         <name>b</name>
+        <qualifiedname>libmolgrid::Quaternion::b</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="23" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="23" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" compoundref="quaternion_8h" startline="129" endline="131">Quaternion::conj</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" compoundref="quaternion_8h" startline="163" endline="166">Quaternion::inverse</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" compoundref="quaternion_8h" startline="140" endline="142">Quaternion::norm</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" compoundref="quaternion_8h" startline="58" endline="64">Quaternion::operator*=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" compoundref="quaternion_8h" startline="76" endline="78">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" compoundref="quaternion_8h" startline="67" endline="73">Quaternion::operator/=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" compoundref="quaternion_8h" startline="100" endline="102">Quaternion::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" compoundref="quaternion_8h" startline="43" endline="45">Quaternion::R_component_2</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="21" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="21" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" compoundref="quaternion_8h" startline="125" endline="127">Quaternion::conj</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" compoundref="quaternion_8h" startline="158" endline="161">Quaternion::inverse</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" compoundref="quaternion_8h" startline="135" endline="137">Quaternion::norm</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" compoundref="quaternion_8h" startline="26" endline="28">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" compoundref="quaternion_8h" startline="31" endline="33">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" compoundref="quaternion_8h" startline="41" endline="43">Quaternion::R_component_2</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
         <definition>fl c</definition>
         <argsstring></argsstring>
         <name>c</name>
+        <qualifiedname>libmolgrid::Quaternion::c</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="24" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="24" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" compoundref="quaternion_8h" startline="129" endline="131">Quaternion::conj</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" compoundref="quaternion_8h" startline="163" endline="166">Quaternion::inverse</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" compoundref="quaternion_8h" startline="140" endline="142">Quaternion::norm</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" compoundref="quaternion_8h" startline="58" endline="64">Quaternion::operator*=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" compoundref="quaternion_8h" startline="76" endline="78">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" compoundref="quaternion_8h" startline="67" endline="73">Quaternion::operator/=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" compoundref="quaternion_8h" startline="100" endline="102">Quaternion::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" compoundref="quaternion_8h" startline="48" endline="50">Quaternion::R_component_3</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="22" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="22" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" compoundref="quaternion_8h" startline="125" endline="127">Quaternion::conj</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" compoundref="quaternion_8h" startline="158" endline="161">Quaternion::inverse</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" compoundref="quaternion_8h" startline="135" endline="137">Quaternion::norm</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" compoundref="quaternion_8h" startline="26" endline="28">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" compoundref="quaternion_8h" startline="31" endline="33">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" compoundref="quaternion_8h" startline="46" endline="48">Quaternion::R_component_3</referencedby>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
         <definition>fl d</definition>
         <argsstring></argsstring>
         <name>d</name>
+        <qualifiedname>libmolgrid::Quaternion::d</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="25" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="25" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" compoundref="quaternion_8h" startline="129" endline="131">Quaternion::conj</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" compoundref="quaternion_8h" startline="163" endline="166">Quaternion::inverse</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" compoundref="quaternion_8h" startline="140" endline="142">Quaternion::norm</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" compoundref="quaternion_8h" startline="58" endline="64">Quaternion::operator*=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" compoundref="quaternion_8h" startline="76" endline="78">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" compoundref="quaternion_8h" startline="67" endline="73">Quaternion::operator/=</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" compoundref="quaternion_8h" startline="100" endline="102">Quaternion::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" compoundref="quaternion_8h" startline="53" endline="55">Quaternion::R_component_4</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="23" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="23" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" compoundref="quaternion_8h" startline="125" endline="127">Quaternion::conj</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" compoundref="quaternion_8h" startline="158" endline="161">Quaternion::inverse</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" compoundref="quaternion_8h" startline="135" endline="137">Quaternion::norm</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" compoundref="quaternion_8h" startline="26" endline="28">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" compoundref="quaternion_8h" startline="31" endline="33">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" compoundref="quaternion_8h" startline="51" endline="53">Quaternion::R_component_4</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__</type>
-        <definition>__host__ __device__ Quaternion</definition>
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion</definition>
         <argsstring>()</argsstring>
         <name>Quaternion</name>
+        <qualifiedname>libmolgrid::Quaternion::Quaternion</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="28" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="28" bodyend="30"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" compoundref="quaternion_8h" startline="129" endline="131">Quaternion::conj</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" compoundref="quaternion_8h" startline="163" endline="166">Quaternion::inverse</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" compoundref="quaternion_8h" startline="76" endline="78">Quaternion::operator/</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="26" column="26" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="26" bodyend="28"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" compoundref="quaternion_8h" startline="125" endline="127">Quaternion::conj</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" compoundref="quaternion_8h" startline="158" endline="161">Quaternion::inverse</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" compoundref="quaternion_8h" startline="91" endline="94">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" compoundref="quaternion_8h" startline="119" endline="122">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a7bbd7af7c5c4cb2b4e32687121f66dbb" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__</type>
-        <definition>__host__ __device__ Quaternion</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion</definition>
         <argsstring>(fl A, fl B, fl C, fl D)</argsstring>
         <name>Quaternion</name>
+        <qualifiedname>libmolgrid::Quaternion::Quaternion</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
           <declname>A</declname>
@@ -154,13 +180,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="33" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="33" bodyend="35"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="31" column="26" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="31" bodyend="33"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
-        <definition>__host__ __device__ fl R_component_1</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER fl R_component_1</definition>
         <argsstring>() const</argsstring>
         <name>R_component_1</name>
+        <qualifiedname>libmolgrid::Quaternion::R_component_1</qualifiedname>
         <briefdescription>
 <para>Return the real or scalar part. </para>
         </briefdescription>
@@ -168,16 +195,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="38" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="38" bodyend="40"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" compoundref="quaternion_8h" startline="106" endline="120">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9" compoundref="quaternion_8h" startline="134" endline="136">Quaternion::real</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="36" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="36" bodyend="38"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5" compoundref="quaternion_8h" startline="130" endline="132">Quaternion::real</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
-        <definition>__host__ __device__ fl R_component_2</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER fl R_component_2</definition>
         <argsstring>() const</argsstring>
         <name>R_component_2</name>
+        <qualifiedname>libmolgrid::Quaternion::R_component_2</qualifiedname>
         <briefdescription>
 <para>Return unreal[0]. </para>
         </briefdescription>
@@ -185,16 +213,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="43" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="43" bodyend="45"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" compoundref="quaternion_8h" startline="106" endline="120">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" compoundref="quaternion_8h" startline="145" endline="149">Quaternion::rotate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="41" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="41" bodyend="43"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
-        <definition>__host__ __device__ fl R_component_3</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER fl R_component_3</definition>
         <argsstring>() const</argsstring>
         <name>R_component_3</name>
+        <qualifiedname>libmolgrid::Quaternion::R_component_3</qualifiedname>
         <briefdescription>
 <para>Return unreal[1]. </para>
         </briefdescription>
@@ -202,16 +231,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="48" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="48" bodyend="50"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" compoundref="quaternion_8h" startline="106" endline="120">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" compoundref="quaternion_8h" startline="145" endline="149">Quaternion::rotate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="46" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="46" bodyend="48"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
-        <definition>__host__ __device__ fl R_component_4</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER fl R_component_4</definition>
         <argsstring>() const</argsstring>
         <name>R_component_4</name>
+        <qualifiedname>libmolgrid::Quaternion::R_component_4</qualifiedname>
         <briefdescription>
 <para>Return unreal[2]. </para>
         </briefdescription>
@@ -219,72 +249,76 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="53" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="53" bodyend="55"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" compoundref="quaternion_8h" startline="82" endline="91">Quaternion::operator*</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" compoundref="quaternion_8h" startline="106" endline="120">Quaternion::operator/</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" compoundref="quaternion_8h" startline="145" endline="149">Quaternion::rotate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="51" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="51" bodyend="53"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
-        <definition>__host__ __device__ Quaternion&amp; operator*=</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion &amp; operator*=</definition>
         <argsstring>(const fl &amp;r)</argsstring>
         <name>operator*=</name>
+        <qualifiedname>libmolgrid::Quaternion::operator*=</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
-<para>In-place multiplication by scalar (element-wise) </para>
+<para>In-place multiplication by scalar (element-wise). </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="58" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="58" bodyend="64"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="56" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="56" bodyend="62"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
-        <definition>__host__ __device__ Quaternion&amp; operator/=</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion &amp; operator/=</definition>
         <argsstring>(const fl &amp;r)</argsstring>
         <name>operator/=</name>
+        <qualifiedname>libmolgrid::Quaternion::operator/=</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
-<para>In-place division by scalar (element-wise) </para>
+<para>In-place division by scalar (element-wise). </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="67" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="67" bodyend="73"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="65" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="65" bodyend="71"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion operator/</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion operator/</definition>
         <argsstring>(const fl &amp;r)</argsstring>
         <name>operator/</name>
+        <qualifiedname>libmolgrid::Quaternion::operator/</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
-<para>Division by scalar (element-wise) </para>
+<para>Division by scalar (element-wise). </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="76" column="37" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="76" bodyend="78"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="74" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="74" bodyend="76"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion operator*</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion operator*</definition>
         <argsstring>(const Quaternion &amp;r) const</argsstring>
         <name>operator*</name>
+        <qualifiedname>libmolgrid::Quaternion::operator*</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
@@ -294,15 +328,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="82" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="82" bodyend="91"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="79" column="44" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="79" bodyend="88"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1aac6f15d6f3fc4a9f1fd23e05ebb67306" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
-        <definition>__host__ __device__ Quaternion&amp; operator*=</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion &amp; operator*=</definition>
         <argsstring>(const Quaternion &amp;r)</argsstring>
         <name>operator*=</name>
+        <qualifiedname>libmolgrid::Quaternion::operator*=</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
@@ -312,15 +347,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="94" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="94" bodyend="97"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="91" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="91" bodyend="94"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ bool</type>
-        <definition>__host__ __device__ bool operator==</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> bool</type>
+        <definition>CUDA_CALLABLE_MEMBER bool operator==</definition>
         <argsstring>(const Quaternion &amp;r) const</argsstring>
         <name>operator==</name>
+        <qualifiedname>libmolgrid::Quaternion::operator==</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
@@ -330,15 +366,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="100" column="30" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="100" bodyend="102"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="97" column="31" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="97" bodyend="99"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion operator/</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion operator/</definition>
         <argsstring>(const Quaternion &amp;r)</argsstring>
         <name>operator/</name>
+        <qualifiedname>libmolgrid::Quaternion::operator/</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
@@ -348,15 +385,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="106" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="106" bodyend="120"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="102" column="44" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="102" bodyend="116"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a4142e5f08ee438946d003c2eb5cf959f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion operator/=</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion operator/=</definition>
         <argsstring>(const Quaternion &amp;r)</argsstring>
         <name>operator/=</name>
+        <qualifiedname>libmolgrid::Quaternion::operator/=</qualifiedname>
         <param>
-          <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
+          <type>const <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref> &amp;</type>
           <declname>r</declname>
         </param>
         <briefdescription>
@@ -366,13 +404,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="123" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="123" bodyend="126"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="119" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="119" bodyend="122"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion conj</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion conj</definition>
         <argsstring>() const</argsstring>
         <name>conj</name>
+        <qualifiedname>libmolgrid::Quaternion::conj</qualifiedname>
         <briefdescription>
 <para>Conjugate. </para>
         </briefdescription>
@@ -380,27 +419,29 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="129" column="43" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="129" bodyend="131"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" compoundref="quaternion_8h" startline="145" endline="149">Quaternion::rotate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="125" column="44" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="125" bodyend="127"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ float</type>
-        <definition>__host__ __device__ float real</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
+        <definition>CUDA_CALLABLE_MEMBER float real</definition>
         <argsstring>() const</argsstring>
         <name>real</name>
+        <qualifiedname>libmolgrid::Quaternion::real</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="134" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="134" bodyend="136"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="130" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="130" bodyend="132"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ float</type>
-        <definition>__host__ __device__ float norm</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float</type>
+        <definition>CUDA_CALLABLE_MEMBER float norm</definition>
         <argsstring>() const</argsstring>
         <name>norm</name>
+        <qualifiedname>libmolgrid::Quaternion::norm</qualifiedname>
         <briefdescription>
 <para>The Cayley norm - the square of the Euclidean norm. </para>
         </briefdescription>
@@ -408,14 +449,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="140" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="140" bodyend="142"/>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" compoundref="quaternion_8h" startline="145" endline="149">Quaternion::rotate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="135" column="39" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="135" bodyend="137"/>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ float3</type>
-        <definition>__host__ __device__ float3 rotate</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structfloat3" kindref="compound">float3</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER float3 rotate</definition>
         <argsstring>(fl x, fl y, fl z) const</argsstring>
         <name>rotate</name>
+        <qualifiedname>libmolgrid::Quaternion::rotate</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
           <declname>x</declname>
@@ -435,16 +477,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="145" column="35" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="145" bodyend="149"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="140" column="33" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="140" bodyend="144"/>
         <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" compoundref="quaternion_8h" startline="152" endline="159">Quaternion::transform</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" compoundref="quaternion_8h" startline="147" endline="154">Quaternion::transform</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ float3</type>
-        <definition>__host__ __device__ float3 transform</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structfloat3" kindref="compound">float3</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER float3 transform</definition>
         <argsstring>(fl x, fl y, fl z, float3 center, float3 translate) const</argsstring>
         <name>transform</name>
+        <qualifiedname>libmolgrid::Quaternion::transform</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref></type>
           <declname>x</declname>
@@ -458,11 +501,11 @@
           <declname>z</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>center</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>translate</declname>
         </param>
         <briefdescription>
@@ -472,14 +515,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="152" column="39" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="152" bodyend="159"/>
-        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="147" column="40" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="147" bodyend="154"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type>__host__ __device__ <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
-        <definition>__host__ __device__ Quaternion inverse</definition>
+      <memberdef kind="function" id="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER Quaternion inverse</definition>
         <argsstring>() const</argsstring>
         <name>inverse</name>
+        <qualifiedname>libmolgrid::Quaternion::inverse</qualifiedname>
         <briefdescription>
 <para>Return inverse. </para>
         </briefdescription>
@@ -487,43 +530,43 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="163" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="163" bodyend="166"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="158" column="37" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="158" bodyend="161"/>
         <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
-<para>A CUDA friendly quaternion class. Single precision only for maximum CUDA performance. </para>
+<para><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> class for rotations. Single precision only. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" line="17" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h" bodystart="17" bodyend="167"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" line="15" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h" bodystart="15" bodyend="162"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" prot="protected" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>a</name></member>
       <member refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" prot="protected" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>b</name></member>
       <member refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" prot="protected" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>c</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>conj</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>conj</name></member>
       <member refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" prot="protected" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>d</name></member>
       <member refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>fl</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>inverse</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>norm</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*=</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1aac6f15d6f3fc4a9f1fd23e05ebb67306" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*=</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/=</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a4142e5f08ee438946d003c2eb5cf959f" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/=</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator==</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>Quaternion</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a7bbd7af7c5c4cb2b4e32687121f66dbb" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>Quaternion</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_1</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_2</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_3</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_4</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>real</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>rotate</name></member>
-      <member refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>transform</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>inverse</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>norm</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*=</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator*=</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/=</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator/=</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>operator==</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>Quaternion</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>Quaternion</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_1</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_2</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_3</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>R_component_4</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>real</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>rotate</name></member>
+      <member refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" prot="public" virt="non-virtual"><scope>libmolgrid::Quaternion</scope><name>transform</name></member>
     </listofallmembers>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider.xml
index aa34fb34..a61c12d4 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ReceptorStratifiedExampleRefProvider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
@@ -15,51 +15,55 @@
         <defval>1</defval>
       </param>
     </templateparamlist>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a6679797ca81af02c9ba75e65ccf4c836" prot="private" static="no" mutable="no">
         <type>std::vector&lt; Provider &gt;</type>
         <definition>std::vector&lt;Provider&gt; examples</definition>
         <argsstring></argsstring>
         <name>examples</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::examples</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="196" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="196" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="196" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="196" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1afbd70ae9414bc86f1272325910babdd4" prot="private" static="no" mutable="no">
         <type>std::unordered_map&lt; const char *, unsigned &gt;</type>
         <definition>std::unordered_map&lt;const char*, unsigned&gt; recmap</definition>
         <argsstring></argsstring>
         <name>recmap</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::recmap</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="197" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="197" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="197" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="197" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a79e29649cc9fa563507e0c7e4aa776ee" prot="private" static="no" mutable="no">
         <type><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref></type>
         <definition>ExampleProviderSettings param</definition>
         <argsstring></argsstring>
         <name>param</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::param</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="198" column="27" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="198" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="198" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="198" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a465880796d95af0ed2be2a015b58202d" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t currenti</definition>
         <argsstring></argsstring>
         <name>currenti</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::currenti</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -67,13 +71,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="200" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="200" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="200" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="200" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a07bb57f4a7e1314f840d93d2e93b8636" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t currentk</definition>
         <argsstring></argsstring>
         <name>currentk</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::currentk</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -81,13 +86,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="201" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="201" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="201" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="201" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool randomize</definition>
         <argsstring></argsstring>
         <name>randomize</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::randomize</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -95,28 +101,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="202" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="202" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="202" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="202" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ReceptorStratifiedExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>ReceptorStratifiedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="205" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="205" bodyend="205"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="205" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="205" bodyend="205"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ReceptorStratifiedExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings)</argsstring>
         <name>ReceptorStratifiedExampleRefProvider</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::ReceptorStratifiedExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -127,13 +135,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="206" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="206" bodyend="209"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="206" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="206" bodyend="209"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -145,13 +154,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="211" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="211" bodyend="224"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="211" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="211" bodyend="224"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -161,13 +171,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="226" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="226" bodyend="232"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="226" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="226" bodyend="232"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -175,13 +186,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="235" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="235" bodyend="246"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="235" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="235" bodyend="246"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -193,13 +205,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="248" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="248" bodyend="266"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="248" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="248" bodyend="266"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -207,7 +220,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="268" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="268" bodyend="277"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="268" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="268" bodyend="277"/>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" compoundref="exampleref__providers_8h" startline="226" endline="232">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::num_labels</referencedby>
       </memberdef>
@@ -216,6 +229,7 @@
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
@@ -224,13 +238,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="279" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="279" bodyend="288"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="279" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="279" bodyend="288"/>
+        <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" compoundref="exampleref__providers_8h" startline="279" endline="288">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::small_epoch_size</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -239,13 +255,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="290" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="290" bodyend="298"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="290" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="290" bodyend="298"/>
+        <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" compoundref="exampleref__providers_8h" startline="290" endline="298">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::large_epoch_size</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -254,13 +272,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="300" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="300" bodyend="308"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="300" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="300" bodyend="308"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -268,13 +287,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="312" column="43" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" declline="312" declcolumn="43"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="312" column="43" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" declline="312" declcolumn="43"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::ReceptorStratifiedExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -282,13 +302,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" line="17" column="43" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="17" bodyend="46"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" line="17" column="43" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="17" bodyend="46"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -296,13 +317,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -315,13 +338,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -337,14 +361,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -353,13 +377,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -368,15 +393,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -384,51 +410,53 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Partition examples by receptor and sample k times uniformly from each receptor with k=2 and a balanced_provider you get paired examples from each receptor. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>ExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
-      </node>
       <node id="1">
         <label>ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;</label>
         <link refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;</label>
         <link refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>ExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="195" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="194" bodyend="309"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="194" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="195" bodyend="309"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::ReceptorStratifiedExampleRefProvider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" virt="virtual"><scope>libmolgrid::ReceptorStratifiedExampleRefProvider</scope><name>check_batch_size</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1SamplingExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1SamplingExampleRefProvider.xml
index 5e543c1e..bee76033 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1SamplingExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1SamplingExampleRefProvider.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1SamplingExampleRefProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::SamplingExampleRefProvider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
@@ -12,38 +12,41 @@
         <type>class Provider2</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a22e67ba1d3c40843e68d55e79f9d4e29" prot="private" static="no" mutable="no">
         <type>Provider1</type>
         <definition>Provider1 p1</definition>
         <argsstring></argsstring>
         <name>p1</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::p1</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="136" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="136" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="136" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="136" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5d2b03520ca6e4ca89cb6913a445297c" prot="private" static="no" mutable="no">
         <type>Provider2</type>
         <definition>Provider2 p2</definition>
         <argsstring></argsstring>
         <name>p2</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::p2</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="137" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="137" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="137" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="137" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a5cd2077a80052e0e93450f6259fa5f92" prot="private" static="no" mutable="no">
         <type>double</type>
         <definition>double sample_rate</definition>
         <argsstring></argsstring>
         <name>sample_rate</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::sample_rate</qualifiedname>
         <initializer>= 0.5</initializer>
         <briefdescription>
         </briefdescription>
@@ -51,13 +54,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="138" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="138" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="138" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="138" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SamplingExampleRefProvider_1aa67a53b752d991d01964c5b57022d462" prot="private" static="no" mutable="no">
         <type>std::uniform_real_distribution&lt; double &gt;</type>
         <definition>std::uniform_real_distribution&lt;double&gt; R</definition>
         <argsstring></argsstring>
         <name>R</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::R</qualifiedname>
         <initializer>{0.0,1}</initializer>
         <briefdescription>
         </briefdescription>
@@ -65,28 +69,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="139" column="34" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="139" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="139" column="34" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="139" bodyend="139"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SamplingExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>SamplingExampleRefProvider</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="142" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="142" bodyend="142"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="142" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="142" bodyend="142"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SamplingExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings, Provider1 P1, Provider2 P2, double srate)</argsstring>
         <name>SamplingExampleRefProvider</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::SamplingExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -109,13 +115,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="143" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="143" bodyend="145"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="143" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="143" bodyend="145"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -127,13 +134,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="147" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="147" bodyend="150"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="147" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="147" bodyend="150"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -141,13 +149,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="152" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="152" bodyend="156"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="152" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="152" bodyend="156"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -157,13 +166,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="158" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="158" bodyend="160"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="158" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="158" bodyend="160"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -175,13 +185,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="162" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="162" bodyend="171"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="162" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="162" bodyend="171"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -189,13 +200,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="173" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="173" bodyend="173"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="173" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="173" bodyend="173"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>this is the expected size of the epoch </para>
@@ -204,13 +216,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="176" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="176" bodyend="179"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="176" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="176" bodyend="179"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -219,13 +232,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="181" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="181" bodyend="184"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="181" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="181" bodyend="184"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::SamplingExampleRefProvider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -234,13 +248,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="186" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="186" bodyend="186"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="186" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="186" bodyend="186"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -248,13 +263,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -267,13 +284,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -289,14 +307,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -305,13 +323,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -320,15 +339,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -336,51 +356,53 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>sample with some specified probability between two providers that should already be initialized </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>ExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
-      </node>
       <node id="1">
         <label>SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;</label>
         <link refid="classlibmolgrid_1_1SamplingExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;</label>
         <link refid="classlibmolgrid_1_1SamplingExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>ExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="135" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="134" bodyend="187"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="134" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="135" bodyend="187"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::SamplingExampleRefProvider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" virt="virtual"><scope>libmolgrid::SamplingExampleRefProvider</scope><name>check_batch_size</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1StringCache.xml b/docs/cpp/xml/classlibmolgrid_1_1StringCache.xml
index e092e286..1295622a 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1StringCache.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1StringCache.xml
@@ -1,29 +1,31 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1StringCache" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::StringCache</compoundname>
-    <includes refid="example_8h" local="no">example.h</includes>
-      <sectiondef kind="private-attrib">
+    <includes refid="string__cache_8h" local="no">string_cache.h</includes>
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1StringCache_1a0f0c8f33554e4df84d6856d57bce7295" prot="private" static="no" mutable="no">
         <type>std::unordered_set&lt; std::string &gt;</type>
         <definition>std::unordered_set&lt;std::string&gt; strings</definition>
         <argsstring></argsstring>
         <name>strings</name>
+        <qualifiedname>libmolgrid::StringCache::strings</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="166" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="166" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" line="17" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" bodystart="17" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
-      <memberdef kind="function" id="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+    </sectiondef>
+    <sectiondef kind="public-func">
+      <memberdef kind="function" id="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>const char *</type>
-        <definition>const char* get</definition>
+        <definition>const char * get</definition>
         <argsstring>(const std::string &amp;s)</argsstring>
         <name>get</name>
+        <qualifiedname>libmolgrid::StringCache::get</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>s</declname>
@@ -34,19 +36,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="168" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="168" bodyend="173"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" compoundref="coord__cache_8cpp" startline="25" endline="73">CoordCache::CoordCache</referencedby>
-        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="309" endline="354">ExampleRef::ExampleRef</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" line="19" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" bodystart="19" bodyend="24"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="165" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="165" bodyend="174"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" line="16" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" bodystart="16" bodyend="25"/>
     <listofallmembers>
-      <member refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" prot="public" virt="non-virtual"><scope>libmolgrid::StringCache</scope><name>get</name></member>
+      <member refid="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4" prot="public" virt="non-virtual"><scope>libmolgrid::StringCache</scope><name>get</name></member>
       <member refid="classlibmolgrid_1_1StringCache_1a0f0c8f33554e4df84d6856d57bce7295" prot="private" virt="non-virtual"><scope>libmolgrid::StringCache</scope><name>strings</name></member>
     </listofallmembers>
   </compounddef>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1SubsetAtomMapper.xml b/docs/cpp/xml/classlibmolgrid_1_1SubsetAtomMapper.xml
index 33e1415f..2dd0b2b8 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1SubsetAtomMapper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1SubsetAtomMapper.xml
@@ -1,41 +1,44 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1SubsetAtomMapper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::SubsetAtomMapper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1AtomIndexTypeMapper" prot="public" virt="non-virtual">AtomIndexTypeMapper</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1SubsetAtomMapper_1a22c8139c583bd8549ed55d3ca4db13ab" prot="private" static="no" mutable="no">
         <type>std::unordered_map&lt; int, int &gt;</type>
         <definition>std::unordered_map&lt;int, int&gt; old2new</definition>
         <argsstring></argsstring>
         <name>old2new</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::old2new</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="507" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="507" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="507" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="507" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SubsetAtomMapper_1a13a0fc95c51121d146263a7c52618f50" prot="private" static="no" mutable="no">
         <type>std::vector&lt; std::string &gt;</type>
         <definition>std::vector&lt;std::string&gt; new_type_names</definition>
         <argsstring></argsstring>
         <name>new_type_names</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::new_type_names</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="508" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="508" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="508" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="508" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SubsetAtomMapper_1af46a482e7cac1e3650b72be3281c229a" prot="private" static="no" mutable="no">
         <type>int</type>
         <definition>int default_type</definition>
         <argsstring></argsstring>
         <name>default_type</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::default_type</qualifiedname>
         <initializer>= -1</initializer>
         <briefdescription>
         </briefdescription>
@@ -43,13 +46,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="509" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="509" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="509" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="509" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1SubsetAtomMapper_1a2fd112052ac414d508d2560c3d26bf6f" prot="private" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned num_new_types</definition>
         <argsstring></argsstring>
         <name>num_new_types</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::num_new_types</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -57,15 +61,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="510" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="510" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="510" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="510" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1a4a83e99735e832950df79857b47d8d84" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>SubsetAtomMapper</definition>
         <argsstring>(const std::vector&lt; int &gt; &amp;map, bool include_catchall=true, const std::vector&lt; std::string &gt; &amp;old_names=std::vector&lt; std::string &gt;())</argsstring>
         <name>SubsetAtomMapper</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::SubsetAtomMapper</qualifiedname>
         <param>
           <type>const std::vector&lt; int &gt; &amp;</type>
           <declname>map</declname>
@@ -87,13 +92,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="515" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="477" bodyend="495"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="515" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="477" bodyend="495"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1ad0d2057e289454c58a7c519a3ec977f2" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>SubsetAtomMapper</definition>
         <argsstring>(const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;map, bool include_catchall=true, const std::vector&lt; std::string &gt; &amp;old_names=std::vector&lt; std::string &gt;())</argsstring>
         <name>SubsetAtomMapper</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::SubsetAtomMapper</qualifiedname>
         <param>
           <type>const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;</type>
           <declname>map</declname>
@@ -115,13 +121,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="518" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="498" bodyend="521"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="518" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="498" bodyend="521"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::num_types</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
         <briefdescription>
 <para>return number of mapped types, zero if unknown (no mapping) </para>
@@ -130,13 +137,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="521" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="521" bodyend="521"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="521" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="521" bodyend="521"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" prot="public" static="no" const="yes" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int get_new_type</definition>
         <argsstring>(unsigned origt) const</argsstring>
         <name>get_new_type</name>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::get_new_type</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6">get_new_type</reimplements>
         <param>
           <type>unsigned</type>
@@ -149,14 +157,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="524" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="524" bodyend="529"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="524" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="524" bodyend="529"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263">get_type_names</reimplements>
+        <qualifiedname>libmolgrid::SubsetAtomMapper::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
 <para>return vector of string representations of types </para>
         </briefdescription>
@@ -164,44 +173,44 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="526" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="526" bodyend="526"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="526" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="526" bodyend="526"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Map atom types onto a provided subset. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>AtomIndexTypeMapper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
-      </node>
       <node id="1">
         <label>SubsetAtomMapper</label>
         <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>AtomIndexTypeMapper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>SubsetAtomMapper</label>
         <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>AtomIndexTypeMapper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="506" column="50" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="506" bodyend="528"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="506" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="506" bodyend="528"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" prot="public" virt="non-virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>AtomIndexTypeMapper</name></member>
       <member refid="classlibmolgrid_1_1SubsetAtomMapper_1af46a482e7cac1e3650b72be3281c229a" prot="private" virt="non-virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>default_type</name></member>
       <member refid="classlibmolgrid_1_1SubsetAtomMapper_1a65bf8d6eed03de1b4e3d6fdde34adabd" prot="public" virt="virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>get_new_type</name></member>
-      <member refid="classlibmolgrid_1_1SubsetAtomMapper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1SubsetAtomMapper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>get_type_names</name></member>
       <member refid="classlibmolgrid_1_1SubsetAtomMapper_1a13a0fc95c51121d146263a7c52618f50" prot="private" virt="non-virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>new_type_names</name></member>
       <member refid="classlibmolgrid_1_1SubsetAtomMapper_1a2fd112052ac414d508d2560c3d26bf6f" prot="private" virt="non-virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>num_new_types</name></member>
       <member refid="classlibmolgrid_1_1SubsetAtomMapper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::SubsetAtomMapper</scope><name>num_types</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1SubsettedElementTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1SubsettedElementTyper.xml
index c7942d18..a1ec23e2 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1SubsettedElementTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1SubsettedElementTyper.xml
@@ -1,15 +1,16 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
-  <compounddef id="classlibmolgrid_1_1SubsettedElementTyper" kind="class" language="C++" prot="public" abstract="yes">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="classlibmolgrid_1_1SubsettedElementTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::SubsettedElementTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedElementTyper</definition>
         <argsstring>(const std::vector&lt; int &gt; &amp;map, bool include_catchall=true, unsigned maxe=84)</argsstring>
         <name>SubsettedElementTyper</name>
+        <qualifiedname>libmolgrid::SubsettedElementTyper::SubsettedElementTyper</qualifiedname>
         <param>
           <type>const std::vector&lt; int &gt; &amp;</type>
           <declname>map</declname>
@@ -30,13 +31,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="534" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="534" bodyend="536"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="534" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="534" bodyend="536"/>
+        <referencedby refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" compoundref="atom__typer_8h" startline="534" endline="536">SubsettedElementTyper::SubsettedElementTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14" compoundref="atom__typer_8h" startline="543" endline="545">SubsettedElementTyper::SubsettedElementTyper</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedElementTyper</definition>
         <argsstring>(const ElementIndexTyper &amp;etyper, const std::vector&lt; int &gt; &amp;map, bool include_catchall=true)</argsstring>
         <name>SubsettedElementTyper</name>
+        <qualifiedname>libmolgrid::SubsettedElementTyper::SubsettedElementTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -56,13 +60,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="538" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="538" bodyend="541"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="538" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="538" bodyend="541"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedElementTyper_1a3b23aa7c01654bab5b4eb0f0bb624d14" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedElementTyper</definition>
         <argsstring>(const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;map, bool include_catchall=true, unsigned maxe=84)</argsstring>
         <name>SubsettedElementTyper</name>
+        <qualifiedname>libmolgrid::SubsettedElementTyper::SubsettedElementTyper</qualifiedname>
         <param>
           <type>const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;</type>
           <declname>map</declname>
@@ -83,13 +88,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="543" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="543" bodyend="545"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="543" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="543" bodyend="545"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedElementTyper</definition>
         <argsstring>(const ElementIndexTyper &amp;etyper, const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;map, bool include_catchall=true)</argsstring>
         <name>SubsettedElementTyper</name>
+        <qualifiedname>libmolgrid::SubsettedElementTyper::SubsettedElementTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -109,13 +115,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="547" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="547" bodyend="550"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="547" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="547" bodyend="550"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::num_types</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -123,35 +131,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>unsigned</type>
-        <definition>virtual unsigned num_types</definition>
-        <argsstring>() const =0</argsstring>
-        <name>num_types</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <briefdescription>
-<para>return number of types </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -163,14 +151,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -182,13 +171,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -196,33 +187,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
-        <argsstring>() const =0</argsstring>
-        <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-<para>return vector of string representations of types this isn&apos;t expected to be particularly efficient </para>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <referencedby refid="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26" compoundref="atom__typer_8h" startline="538" endline="541">SubsettedElementTyper::SubsettedElementTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SubsettedElementTyper_1ab26b70999f83ecc99c91960fd1bea164" compoundref="atom__typer_8h" startline="547" endline="550">SubsettedElementTyper::SubsettedElementTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>radii are the average of the underlying mapped types </para>
         </briefdescription>
@@ -230,34 +205,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
-        <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
-        <argsstring>() const</argsstring>
-        <name>get_type_radii</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <briefdescription>
-<para>if applicable to the typer, return the standard atomic radius of each type </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::get_atom_type_vector</qualifiedname>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -272,70 +227,74 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::is_vector_typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref></type>
-        <definition>SubsetAtomMapper  mapper</definition>
+        <definition>SubsetAtomMapper mapper</definition>
         <argsstring></argsstring>
         <name>mapper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::mapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1ElementIndexTyper" kindref="compound">ElementIndexTyper</ref></type>
-        <definition>ElementIndexTyper  typer</definition>
+        <definition>ElementIndexTyper typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; type_radii</definition>
         <argsstring></argsstring>
         <name>type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::type_radii</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -354,20 +313,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
-        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>subsetting element types, derived class for convenient initialization </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="4">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      <node id="1">
+        <label>SubsettedElementTyper</label>
+        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
+        <childnode refid="2" relation="public-inheritance">
+        </childnode>
       </node>
       <node id="3">
         <label>AtomIndexTyper</label>
@@ -375,11 +334,9 @@
         <childnode refid="4" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>SubsettedElementTyper</label>
-        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
+      <node id="4">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
       <node id="2">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</label>
@@ -389,25 +346,15 @@
       </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="7">
-        <label>AtomIndexTypeMapper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
-      </node>
-      <node id="4">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
-      <node id="5">
-        <label>ElementIndexTyper</label>
-        <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
-        <childnode refid="3" relation="public-inheritance">
+      <node id="1">
+        <label>SubsettedElementTyper</label>
+        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
+        <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
       <node id="6">
-        <label>SubsetAtomMapper</label>
-        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
-        <childnode refid="7" relation="public-inheritance">
-        </childnode>
+        <label>AtomIndexTypeMapper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
       <node id="3">
         <label>AtomIndexTyper</label>
@@ -415,14 +362,15 @@
         <childnode refid="4" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="1">
-        <label>SubsettedElementTyper</label>
-        <link refid="classlibmolgrid_1_1SubsettedElementTyper"/>
-        <childnode refid="2" relation="public-inheritance">
-        </childnode>
+      <node id="4">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
       </node>
-      <node id="8">
-        <label>vector&lt; float &gt;</label>
+      <node id="7">
+        <label>ElementIndexTyper</label>
+        <link refid="classlibmolgrid_1_1ElementIndexTyper"/>
+        <childnode refid="3" relation="public-inheritance">
+        </childnode>
       </node>
       <node id="2">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, ElementIndexTyper &gt;</label>
@@ -430,32 +378,38 @@
         <childnode refid="3" relation="public-inheritance">
         </childnode>
         <childnode refid="5" relation="usage">
-          <edgelabel>typer</edgelabel>
-        </childnode>
-        <childnode refid="6" relation="usage">
           <edgelabel>mapper</edgelabel>
         </childnode>
+        <childnode refid="7" relation="usage">
+          <edgelabel>typer</edgelabel>
+        </childnode>
         <childnode refid="8" relation="usage">
           <edgelabel>type_radii</edgelabel>
         </childnode>
       </node>
+      <node id="5">
+        <label>SubsetAtomMapper</label>
+        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
+        <childnode refid="6" relation="public-inheritance">
+        </childnode>
+      </node>
+      <node id="8">
+        <label>vector&lt; float &gt;</label>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="532" column="58" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="532" bodyend="551"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="532" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="532" bodyend="551"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_radii</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>MappedAtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>mapper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>num_types</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedElementTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>set_names</name></member>
       <member refid="classlibmolgrid_1_1SubsettedElementTyper_1abebdf0adfe4d416e90654fc93f21bbca" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>SubsettedElementTyper</name></member>
       <member refid="classlibmolgrid_1_1SubsettedElementTyper_1a4faa1f9361beb1a18de23b802889be26" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedElementTyper</scope><name>SubsettedElementTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1SubsettedGninaTyper.xml b/docs/cpp/xml/classlibmolgrid_1_1SubsettedGninaTyper.xml
index 28237206..a8a8087e 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1SubsettedGninaTyper.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1SubsettedGninaTyper.xml
@@ -1,15 +1,16 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
-  <compounddef id="classlibmolgrid_1_1SubsettedGninaTyper" kind="class" language="C++" prot="public" abstract="yes">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="classlibmolgrid_1_1SubsettedGninaTyper" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::SubsettedGninaTyper</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public" virt="non-virtual">MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</basecompoundref>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-func">
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedGninaTyper</definition>
         <argsstring>(const std::vector&lt; int &gt; &amp;map, bool include_catchall=true, bool usec=false)</argsstring>
         <name>SubsettedGninaTyper</name>
+        <qualifiedname>libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper</qualifiedname>
         <param>
           <type>const std::vector&lt; int &gt; &amp;</type>
           <declname>map</declname>
@@ -30,13 +31,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="556" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="556" bodyend="558"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="556" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="556" bodyend="558"/>
+        <referencedby refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" compoundref="atom__typer_8h" startline="556" endline="558">SubsettedGninaTyper::SubsettedGninaTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db" compoundref="atom__typer_8h" startline="565" endline="567">SubsettedGninaTyper::SubsettedGninaTyper</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedGninaTyper</definition>
         <argsstring>(const GninaIndexTyper &amp;etyper, const std::vector&lt; int &gt; &amp;map, bool include_catchall=true)</argsstring>
         <name>SubsettedGninaTyper</name>
+        <qualifiedname>libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -56,13 +60,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="560" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="560" bodyend="563"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="560" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="560" bodyend="563"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedGninaTyper_1a52db7546e06d5a54afff6c5b685107db" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedGninaTyper</definition>
         <argsstring>(const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;map, bool include_catchall=true, bool usec=false)</argsstring>
         <name>SubsettedGninaTyper</name>
+        <qualifiedname>libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper</qualifiedname>
         <param>
           <type>const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;</type>
           <declname>map</declname>
@@ -83,13 +88,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="565" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="565" bodyend="567"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="565" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="565" bodyend="567"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>SubsettedGninaTyper</definition>
         <argsstring>(const GninaIndexTyper &amp;etyper, const std::vector&lt; std::vector&lt; int &gt; &gt; &amp;map, bool include_catchall=true)</argsstring>
         <name>SubsettedGninaTyper</name>
+        <qualifiedname>libmolgrid::SubsettedGninaTyper::SubsettedGninaTyper</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref> &amp;</type>
           <declname>etyper</declname>
@@ -109,13 +115,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="569" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="569" bodyend="572"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="569" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="569" bodyend="572"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>virtual unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::num_types</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46">num_types</reimplements>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -123,35 +131,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="350" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="350" bodyend="352"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>unsigned</type>
-        <definition>virtual unsigned num_types</definition>
-        <argsstring>() const =0</argsstring>
-        <name>num_types</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1a5e84ac0f1e5fbb3fd24d137b02de0a3f">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a">num_types</reimplementedby>
-        <briefdescription>
-<para>return number of types </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="49" column="22"/>
-        <referencedby refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" compoundref="atom__typer_8h" startline="65" endline="65">AtomIndexTyper::get_type_radii</referencedby>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_atom_type_index</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_atom_type_index</definition>
         <argsstring>(OpenBabel::OBAtom *a) const</argsstring>
         <name>get_atom_type_index</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da">get_atom_type_index</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::get_atom_type_index</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d">get_atom_type_index</reimplements>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -163,14 +151,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="355" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="355" bodyend="360"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::pair&lt; int, float &gt;</type>
-        <definition>virtual std::pair&lt;int,float&gt; get_int_type</definition>
+        <definition>virtual std::pair&lt; int, float &gt; get_int_type</definition>
         <argsstring>(int t) const</argsstring>
         <name>get_int_type</name>
-        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342">get_int_type</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::get_int_type</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b">get_int_type</reimplements>
         <param>
           <type>int</type>
           <declname>t</declname>
@@ -182,13 +171,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="363" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="363" bodyend="368"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
+        <definition>virtual std::vector&lt; std::string &gt; get_type_names</definition>
         <argsstring>() const</argsstring>
         <name>get_type_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::get_type_names</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8">get_type_names</reimplements>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
@@ -196,33 +187,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" static="no" const="yes" explicit="no" inline="no" virt="pure-virtual">
-        <type>std::vector&lt; std::string &gt;</type>
-        <definition>virtual std::vector&lt;std::string&gt; get_type_names</definition>
-        <argsstring>() const =0</argsstring>
-        <name>get_type_names</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplements>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1ab179299d9dc6bb3a4bfe868fd60882a6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6">get_type_names</reimplementedby>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-<para>return vector of string representations of types this isn&apos;t expected to be particularly efficient </para>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="62" column="25"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="371" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="371" bodyend="373"/>
+        <referencedby refid="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7" compoundref="atom__typer_8h" startline="560" endline="563">SubsettedGninaTyper::SubsettedGninaTyper</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SubsettedGninaTyper_1a42a78c9d3ae26f38181020758d89116f" compoundref="atom__typer_8h" startline="569" endline="572">SubsettedGninaTyper::SubsettedGninaTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
+        <definition>virtual std::vector&lt; float &gt; get_type_radii</definition>
         <argsstring>() const</argsstring>
         <name>get_type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::get_type_radii</qualifiedname>
+        <reimplements refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec">get_type_radii</reimplements>
         <briefdescription>
 <para>radii are the average of the underlying mapped types </para>
         </briefdescription>
@@ -230,34 +205,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
-      </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
-        <type>std::vector&lt; float &gt;</type>
-        <definition>virtual std::vector&lt;float&gt; get_type_radii</definition>
-        <argsstring>() const</argsstring>
-        <name>get_type_radii</name>
-        <reimplementedby refid="classlibmolgrid_1_1GninaIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1ElementIndexTyper_1adc0b9aacfdd83b3b868ab09424d3c04b">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1NullIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1CallbackIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <reimplementedby refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2">get_type_radii</reimplementedby>
-        <briefdescription>
-<para>if applicable to the typer, return the standard atomic radius of each type </para>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="65" column="25" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="65" bodyend="65"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="376" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="376" bodyend="376"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" static="no" const="yes" explicit="no" inline="yes" final="yes" virt="virtual">
         <type>float</type>
         <definition>virtual float get_atom_type_vector</definition>
         <argsstring>(OpenBabel::OBAtom *a, std::vector&lt; float &gt; &amp;typ) const final</argsstring>
         <name>get_atom_type_vector</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674">get_atom_type_vector</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::get_atom_type_vector</qualifiedname>
         <param>
           <type>OpenBabel::OBAtom *</type>
           <declname>a</declname>
@@ -272,70 +227,74 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="51" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="51" bodyend="51"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool is_vector_typer</definition>
         <argsstring>() const</argsstring>
         <name>is_vector_typer</name>
-        <reimplements refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5">is_vector_typer</reimplements>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::is_vector_typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="69" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="69" bodyend="69"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1SubsetAtomMapper" kindref="compound">SubsetAtomMapper</ref></type>
-        <definition>SubsetAtomMapper  mapper</definition>
+        <definition>SubsetAtomMapper mapper</definition>
         <argsstring></argsstring>
         <name>mapper</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::mapper</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="317" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="317" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aeeb1827a1130e65de6fd0844e7bf59ee" prot="protected" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1GninaIndexTyper" kindref="compound">GninaIndexTyper</ref></type>
-        <definition>GninaIndexTyper  typer</definition>
+        <definition>GninaIndexTyper typer</definition>
         <argsstring></argsstring>
         <name>typer</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::typer</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="318" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="318" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1MappedAtomIndexTyper_1aa7748881d87376eeba54ab9fd4bce520" prot="protected" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; type_radii</definition>
         <argsstring></argsstring>
         <name>type_radii</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::type_radii</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="320" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="320" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void set_names</definition>
         <argsstring>(unsigned ntypes, std::vector&lt; std::string &gt; &amp;type_names, const std::vector&lt; std::string &gt; &amp;names)</argsstring>
         <name>set_names</name>
+        <qualifiedname>libmolgrid::MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;::set_names</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>ntypes</declname>
@@ -354,11 +313,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
-        <referencedby refid="classlibmolgrid_1_1CallbackIndexTyper_1afeb018e0ea5231c3b5ac23526abf5361" compoundref="atom__typer_8cpp" startline="257" endline="260">CallbackIndexTyper::CallbackIndexTyper</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CallbackVectorTyper_1a50cbe32479180cea5aa8c25adda9ee4a" compoundref="atom__typer_8cpp" startline="410" endline="413">CallbackVectorTyper::CallbackVectorTyper</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="67" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" bodystart="246" bodyend="256"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>subsetting gnina types, derived class for convenient initialization </para>
     </briefdescription>
@@ -371,16 +328,16 @@
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="4">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
       <node id="3">
         <label>AtomIndexTyper</label>
         <link refid="classlibmolgrid_1_1AtomIndexTyper"/>
         <childnode refid="4" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="4">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
       <node id="2">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
@@ -389,25 +346,15 @@
       </node>
     </inheritancegraph>
     <collaborationgraph>
-      <node id="6">
-        <label>AtomIndexTypeMapper</label>
-        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
-      </node>
       <node id="1">
         <label>SubsettedGninaTyper</label>
         <link refid="classlibmolgrid_1_1SubsettedGninaTyper"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="4">
-        <label>AtomTyper</label>
-        <link refid="classlibmolgrid_1_1AtomTyper"/>
-      </node>
-      <node id="5">
-        <label>SubsetAtomMapper</label>
-        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
-        <childnode refid="6" relation="public-inheritance">
-        </childnode>
+      <node id="6">
+        <label>AtomIndexTypeMapper</label>
+        <link refid="classlibmolgrid_1_1AtomIndexTypeMapper"/>
       </node>
       <node id="3">
         <label>AtomIndexTyper</label>
@@ -415,6 +362,16 @@
         <childnode refid="4" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="4">
+        <label>AtomTyper</label>
+        <link refid="classlibmolgrid_1_1AtomTyper"/>
+      </node>
+      <node id="7">
+        <label>GninaIndexTyper</label>
+        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
+        <childnode refid="3" relation="public-inheritance">
+        </childnode>
+      </node>
       <node id="2">
         <label>MappedAtomIndexTyper&lt; SubsetAtomMapper, GninaIndexTyper &gt;</label>
         <link refid="classlibmolgrid_1_1MappedAtomIndexTyper"/>
@@ -424,38 +381,35 @@
           <edgelabel>mapper</edgelabel>
         </childnode>
         <childnode refid="7" relation="usage">
-          <edgelabel>type_radii</edgelabel>
+          <edgelabel>typer</edgelabel>
         </childnode>
         <childnode refid="8" relation="usage">
-          <edgelabel>typer</edgelabel>
+          <edgelabel>type_radii</edgelabel>
         </childnode>
       </node>
-      <node id="8">
-        <label>GninaIndexTyper</label>
-        <link refid="classlibmolgrid_1_1GninaIndexTyper"/>
-        <childnode refid="3" relation="public-inheritance">
+      <node id="5">
+        <label>SubsetAtomMapper</label>
+        <link refid="classlibmolgrid_1_1SubsetAtomMapper"/>
+        <childnode refid="6" relation="public-inheritance">
         </childnode>
       </node>
-      <node id="7">
+      <node id="8">
         <label>vector&lt; float &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="554" column="56" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="554" bodyend="573"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="554" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="554" bodyend="573"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>AtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1AtomTyper_1a554d6f387f3aff6cf68c24ffddd08567" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>AtomTyper</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ada10bf195e09de3a351bc4a4649ac629" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_atom_type_index</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_atom_type_index</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_atom_type_vector</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae263d436c69186ad062ad5339d1d8727" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_int_type</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1aacde71a2d28fc736c3d43da006f3a1c6" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_names</name></member>
-      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_radii</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" prot="public" virt="virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_radii</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_int_type</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_names</name></member>
+      <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>get_type_radii</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>is_vector_typer</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a305231874e49461c034173aa1e04a997" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>MappedAtomIndexTyper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a12d66c8724035ce6b91afef7d5685ae2" prot="protected" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>mapper</name></member>
       <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1ad493bf80b659abb6e401d7fee5c8231a" prot="public" virt="virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>num_types</name></member>
-      <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" prot="public" virt="pure-virtual" ambiguityscope="libmolgrid::AtomIndexTyper::"><scope>libmolgrid::SubsettedGninaTyper</scope><name>num_types</name></member>
       <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>set_names</name></member>
       <member refid="classlibmolgrid_1_1SubsettedGninaTyper_1a52fc24c4c49fcff8a28e41e937383981" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>SubsettedGninaTyper</name></member>
       <member refid="classlibmolgrid_1_1SubsettedGninaTyper_1a6656407c918520af09a6a84a68ec7ac7" prot="public" virt="non-virtual"><scope>libmolgrid::SubsettedGninaTyper</scope><name>SubsettedGninaTyper</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1Transform.xml b/docs/cpp/xml/classlibmolgrid_1_1Transform.xml
index 62827dc8..c6755b27 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1Transform.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1Transform.xml
@@ -1,81 +1,86 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1Transform" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::Transform</compoundname>
     <includes refid="transform_8h" local="no">transform.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1Transform_1a8a750ded4f6eb72805026780b7d993f4" prot="private" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref></type>
         <definition>Quaternion Q</definition>
         <argsstring></argsstring>
         <name>Q</name>
+        <qualifiedname>libmolgrid::Transform::Q</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="28" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="28" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="28" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="28" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Transform_1ae6640dffce5073d38fa0161f26947f2a" prot="private" static="no" mutable="no">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 center</definition>
         <argsstring></argsstring>
         <name>center</name>
+        <qualifiedname>libmolgrid::Transform::center</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="29" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="29" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="29" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="29" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1Transform_1a9e15220092a129a830bf3778c7f55f4f" prot="private" static="no" mutable="no">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 translate</definition>
         <argsstring></argsstring>
         <name>translate</name>
+        <qualifiedname>libmolgrid::Transform::translate</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="30" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="30" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="30" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="30" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Transform</definition>
         <argsstring>()</argsstring>
         <name>Transform</name>
+        <qualifiedname>libmolgrid::Transform::Transform</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="33" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="33" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="33" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="33" bodyend="36"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a9297cddcfa3ce722db2b9d947faf5fc1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>Transform</definition>
         <argsstring>(const Quaternion &amp;q, float3 c=make_float3(0, 0, 0), float3 t=make_float3(0, 0, 0))</argsstring>
         <name>Transform</name>
+        <qualifiedname>libmolgrid::Transform::Transform</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
           <declname>q</declname>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>c</declname>
-          <defval>make_float3(0, 0, 0)</defval>
+          <defval><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0, 0, 0)</defval>
         </param>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>t</declname>
-          <defval>make_float3(0, 0, 0)</defval>
+          <defval><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0, 0, 0)</defval>
         </param>
         <briefdescription>
         </briefdescription>
@@ -83,15 +88,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="38" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="38" bodyend="42"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="38" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="38" bodyend="42"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>Transform</definition>
         <argsstring>(float3 c, float random_translate=0.0, bool random_rotate=false)</argsstring>
         <name>Transform</name>
+        <qualifiedname>libmolgrid::Transform::Transform</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>c</declname>
         </param>
         <param>
@@ -110,7 +116,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="50" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/transform.cpp" bodystart="13" bodyend="33"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="50" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp" bodystart="13" bodyend="33"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -122,6 +128,7 @@
         <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 2, false &gt; &amp;in, Grid&lt; Dtype, 2, false &gt; &amp;out, bool dotranslate=true) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::Transform::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, false &gt; &amp;</type>
           <declname>in</declname>
@@ -141,15 +148,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="62" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/transform.cpp" bodystart="58" bodyend="79"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="62" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp" bodystart="58" bodyend="79"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd" compoundref="transform_8cpp" startline="45" endline="55">Transform::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b" compoundref="transform_8cpp" startline="35" endline="43">Transform::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void forward</definition>
         <argsstring>(const Example &amp;in, Example &amp;out, bool dotranslate=true) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::Transform::forward</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &amp;</type>
           <declname>in</declname>
@@ -169,13 +178,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="72" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/transform.cpp" bodystart="35" bodyend="43"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="72" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp" bodystart="35" bodyend="43"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void forward</definition>
         <argsstring>(const CoordinateSet &amp;in, CoordinateSet &amp;out, bool dotranslate=true) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::Transform::forward</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
           <declname>in</declname>
@@ -195,18 +205,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="82" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/transform.cpp" bodystart="45" bodyend="55"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="82" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp" bodystart="45" bodyend="55"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a02a7b99aacab34a6f1e7133f90b1c5cc" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Transform_1aaac1c3c99bd6c9f760db45e134ee7421" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename Dtype</type>
           </param>
         </templateparamlist>
-        <type>__host__ void</type>
-        <definition>__host__ void forward</definition>
+        <type>void</type>
+        <definition>void forward</definition>
         <argsstring>(const Grid&lt; Dtype, 2, true &gt; &amp;in, Grid&lt; Dtype, 2, true &gt; &amp;out, bool dotranslate=true) const</argsstring>
         <name>forward</name>
+        <qualifiedname>libmolgrid::Transform::forward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt; &amp;</type>
           <declname>in</declname>
@@ -226,7 +237,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="94" column="19"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="94" column="10"/>
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         <templateparamlist>
@@ -238,6 +249,7 @@
         <definition>void backward</definition>
         <argsstring>(const Grid&lt; Dtype, 2, false &gt; &amp;in, Grid&lt; Dtype, 2, false &gt; &amp;out, bool dotranslate=true) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::Transform::backward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, false &gt; &amp;</type>
           <declname>in</declname>
@@ -257,18 +269,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="103" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/transform.cpp" bodystart="86" bodyend="108"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="103" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp" bodystart="86" bodyend="108"/>
       </memberdef>
-      <memberdef kind="function" id="classlibmolgrid_1_1Transform_1ae727e7895d2679acb5ed248e28fca99f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>typename Dtype</type>
           </param>
         </templateparamlist>
-        <type>__host__ void</type>
-        <definition>__host__ void backward</definition>
+        <type>void</type>
+        <definition>void backward</definition>
         <argsstring>(const Grid&lt; Dtype, 2, true &gt; &amp;in, Grid&lt; Dtype, 2, true &gt; &amp;out, bool dotranslate=true) const</argsstring>
         <name>backward</name>
+        <qualifiedname>libmolgrid::Transform::backward</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, true &gt; &amp;</type>
           <declname>in</declname>
@@ -288,49 +301,54 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="112" column="19"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="112" column="10"/>
       </memberdef>
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+      <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
-        <definition>const Quaternion&amp; get_quaternion</definition>
+        <definition>const Quaternion &amp; get_quaternion</definition>
         <argsstring>() const</argsstring>
         <name>get_quaternion</name>
+        <qualifiedname>libmolgrid::Transform::get_quaternion</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="114" column="22" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="114" bodyend="114"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="114" column="22" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="114" bodyend="114"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
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-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 get_rotation_center</definition>
         <argsstring>() const</argsstring>
         <name>get_rotation_center</name>
+        <qualifiedname>libmolgrid::Transform::get_rotation_center</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="115" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="115" bodyend="115"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="115" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="115" bodyend="115"/>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" compoundref="grid__interpolater_8h" startline="105" endline="108">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" compoundref="grid__interpolater_8h" startline="113" endline="116">GridInterpolater::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
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-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 get_translation</definition>
         <argsstring>() const</argsstring>
         <name>get_translation</name>
+        <qualifiedname>libmolgrid::Transform::get_translation</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="116" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="116" bodyend="116"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="116" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="116" bodyend="116"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a9e38010f3139c44bade78285ff2592fc" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
@@ -338,6 +356,7 @@
         <definition>void set_quaternion</definition>
         <argsstring>(const Quaternion &amp;q)</argsstring>
         <name>set_quaternion</name>
+        <qualifiedname>libmolgrid::Transform::set_quaternion</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref> &amp;</type>
           <declname>q</declname>
@@ -348,15 +367,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="118" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="118" bodyend="118"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="118" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="118" bodyend="118"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void set_rotation_center</definition>
         <argsstring>(float3 c)</argsstring>
         <name>set_rotation_center</name>
+        <qualifiedname>libmolgrid::Transform::set_rotation_center</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>c</declname>
         </param>
         <briefdescription>
@@ -365,15 +385,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="119" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="119" bodyend="119"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="119" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="119" bodyend="119"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void set_translation</definition>
         <argsstring>(float3 t)</argsstring>
         <name>set_translation</name>
+        <qualifiedname>libmolgrid::Transform::set_translation</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>t</declname>
         </param>
         <briefdescription>
@@ -382,13 +403,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="120" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="120" bodyend="120"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="120" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="120" bodyend="120"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool is_identity</definition>
         <argsstring>() const</argsstring>
         <name>is_identity</name>
+        <qualifiedname>libmolgrid::Transform::is_identity</qualifiedname>
         <briefdescription>
 <para>transformation does not change inputs </para>
         </briefdescription>
@@ -396,10 +418,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="123" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="123" bodyend="125"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="123" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="123" bodyend="125"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-func">
+    </sectiondef>
+    <sectiondef kind="private-func">
       <memberdef kind="function" id="classlibmolgrid_1_1Transform_1a7fdaab395dcced8aaa593873bfe85cfd" prot="private" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <templateparamlist>
           <param>
@@ -415,6 +437,7 @@
         <definition>void checkGrids</definition>
         <argsstring>(const Grid&lt; Dtype, 2, isCUDA &gt; &amp;in, const Grid&lt; Dtype, 2, isCUDA &gt; &amp;out) const</argsstring>
         <name>checkGrids</name>
+        <qualifiedname>libmolgrid::Transform::checkGrids</qualifiedname>
         <param>
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; Dtype, 2, isCUDA &gt; &amp;</type>
           <declname>in</declname>
@@ -429,26 +452,26 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="131" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="131" bodyend="147"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="131" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="131" bodyend="147"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Stateful transformation of Cartesian coordinates. </para>
     </briefdescription>
     <detaileddescription>
 <para>Stores a center of rotation, quaternion, and translation. Can apply transformation forward or backward, with or without translations. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" line="27" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h" bodystart="27" bodyend="150"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" line="27" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h" bodystart="27" bodyend="150"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>backward</name></member>
-      <member refid="classlibmolgrid_1_1Transform_1ae727e7895d2679acb5ed248e28fca99f" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>backward</name></member>
+      <member refid="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>backward</name></member>
       <member refid="classlibmolgrid_1_1Transform_1ae6640dffce5073d38fa0161f26947f2a" prot="private" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>center</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a7fdaab395dcced8aaa593873bfe85cfd" prot="private" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>checkGrids</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>forward</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>forward</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>forward</name></member>
-      <member refid="classlibmolgrid_1_1Transform_1a02a7b99aacab34a6f1e7133f90b1c5cc" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>forward</name></member>
-      <member refid="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>get_quaternion</name></member>
+      <member refid="classlibmolgrid_1_1Transform_1aaac1c3c99bd6c9f760db45e134ee7421" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>forward</name></member>
+      <member refid="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>get_quaternion</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>get_rotation_center</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>get_translation</name></member>
       <member refid="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6" prot="public" virt="non-virtual"><scope>libmolgrid::Transform</scope><name>is_identity</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1UniformExampleRefProvider.xml b/docs/cpp/xml/classlibmolgrid_1_1UniformExampleRefProvider.xml
index f93208b8..efdfc1e7 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1UniformExampleRefProvider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1UniformExampleRefProvider.xml
@@ -1,28 +1,30 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1UniformExampleRefProvider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::UniformExampleRefProvider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
     <includes refid="exampleref__providers_8h" local="no">exampleref_providers.h</includes>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1abc218ecac4fd64c0dd2b9949a9086ed1" prot="private" static="no" mutable="no">
         <type>std::vector&lt; <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &gt;</type>
         <definition>std::vector&lt;ExampleRef&gt; all</definition>
         <argsstring></argsstring>
         <name>all</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::all</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="63" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="63" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="63" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="63" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1a2cb51d0acda029b457eba211467c2cca" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t current</definition>
         <argsstring></argsstring>
         <name>current</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::current</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -30,13 +32,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="64" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="64" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="64" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="64" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac7ef53ed84fcaddbb0cfb7531cda107d" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t current_copy</definition>
         <argsstring></argsstring>
         <name>current_copy</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::current_copy</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -44,13 +47,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="65" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="65" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="65" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="65" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1a25537b2f335dc2c2ffb4807fe99ee98f" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t nlabels</definition>
         <argsstring></argsstring>
         <name>nlabels</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::nlabels</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -58,13 +62,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="66" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="66" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="66" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="66" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8635c6532e6f3713d63dc83bc8961b63" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t epoch</definition>
         <argsstring></argsstring>
         <name>epoch</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::epoch</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -72,13 +77,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="67" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="67" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="67" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="67" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7a24e4455c51460f9504bab5a850ea74" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool randomize</definition>
         <argsstring></argsstring>
         <name>randomize</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::randomize</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -86,13 +92,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="69" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="69" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="69" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="69" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1UniformExampleRefProvider_1a0d7036b6a3771a52de28c0fcf43159a8" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t ncopies</definition>
         <argsstring></argsstring>
         <name>ncopies</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::ncopies</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -100,28 +107,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="70" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="70" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="70" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="70" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>UniformExampleRefProvider</definition>
         <argsstring>()</argsstring>
         <name>UniformExampleRefProvider</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="73" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="73" bodyend="73"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="73" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="73" bodyend="73"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>UniformExampleRefProvider</definition>
         <argsstring>(const ExampleProviderSettings &amp;settings)</argsstring>
         <name>UniformExampleRefProvider</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::UniformExampleRefProvider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>settings</declname>
@@ -132,13 +141,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="74" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="74" bodyend="76"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="74" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="74" bodyend="76"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -150,13 +160,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="78" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="64" bodyend="68"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="78" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="64" bodyend="68"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -166,15 +177,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="79" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="79" bodyend="79"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" compoundref="example__dataset_8h" startline="58" endline="58">ExampleDataset::num_labels</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" compoundref="exampleref__providers_8h" startline="115" endline="115">BalancedExampleRefProvider::num_labels</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="79" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="79" bodyend="79"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -182,14 +192,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="80" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="70" bodyend="75"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="80" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="70" bodyend="75"/>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -201,15 +212,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="81" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="77" bodyend="97"/>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" compoundref="exampleref__providers_8h" startline="122" endline="122">BalancedExampleRefProvider::next_active</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" compoundref="exampleref__providers_8h" startline="123" endline="123">BalancedExampleRefProvider::next_decoy</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="81" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="77" bodyend="97"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -217,21 +227,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="82" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="82" bodyend="82"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="82" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="82" bodyend="82"/>
         <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" compoundref="exampleref__providers_8h" startline="91" endline="91">UniformExampleRefProvider::large_epoch_size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" compoundref="exampleref__providers_8h" startline="126" endline="126">BalancedExampleRefProvider::large_epoch_size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" compoundref="exampleref__providers_8h" startline="119" endline="119">BalancedExampleRefProvider::num_actives</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" compoundref="exampleref__providers_8h" startline="120" endline="120">BalancedExampleRefProvider::num_decoys</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" compoundref="example__dataset_8h" startline="68" endline="68">ExampleDataset::size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" compoundref="exampleref__providers_8h" startline="118" endline="118">BalancedExampleRefProvider::size</referencedby>
         <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" compoundref="exampleref__providers_8h" startline="90" endline="90">UniformExampleRefProvider::small_epoch_size</referencedby>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" compoundref="exampleref__providers_8h" startline="125" endline="125">BalancedExampleRefProvider::small_epoch_size</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a8100f1f3e6e934f1400566e80d971f8d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
         <definition>const ExampleRef &amp; operator[]</definition>
         <argsstring>(size_t idx) const</argsstring>
         <name>operator[]</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::operator[]</qualifiedname>
         <param>
           <type>size_t</type>
           <declname>idx</declname>
@@ -243,13 +248,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="85" column="20" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="99" bodyend="105"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="85" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="99" bodyend="105"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplements>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -258,13 +264,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="87" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="87" bodyend="87"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="87" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="87" bodyend="87"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplements>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -273,13 +280,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="88" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="88" bodyend="88"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="88" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="88" bodyend="88"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
@@ -288,13 +296,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="90" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="90" bodyend="90"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="90" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="90" bodyend="90"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -303,13 +312,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="91" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="91" bodyend="91"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="91" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="91" bodyend="91"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::UniformExampleRefProvider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -318,14 +328,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="93" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="93" bodyend="93"/>
-        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="93" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="93" bodyend="93"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -333,13 +343,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -352,13 +364,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -374,16 +387,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -391,51 +404,53 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>single array of examples, possibly shuffled or copied </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>ExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
-      </node>
       <node id="1">
         <label>UniformExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1UniformExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>UniformExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1UniformExampleRefProvider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>ExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="62" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="61" bodyend="94"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="61" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="62" bodyend="94"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::UniformExampleRefProvider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1UniformExampleRefProvider_1abc218ecac4fd64c0dd2b9949a9086ed1" prot="private" virt="non-virtual"><scope>libmolgrid::UniformExampleRefProvider</scope><name>all</name></member>
diff --git a/docs/cpp/xml/classlibmolgrid_1_1ValueStratifiedExampleRefProfider.xml b/docs/cpp/xml/classlibmolgrid_1_1ValueStratifiedExampleRefProfider.xml
index 3f5b2af4..5a65ae7b 100644
--- a/docs/cpp/xml/classlibmolgrid_1_1ValueStratifiedExampleRefProfider.xml
+++ b/docs/cpp/xml/classlibmolgrid_1_1ValueStratifiedExampleRefProfider.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kind="class" language="C++" prot="public">
     <compoundname>libmolgrid::ValueStratifiedExampleRefProfider</compoundname>
     <basecompoundref refid="classlibmolgrid_1_1ExampleRefProvider" prot="public" virt="non-virtual">ExampleRefProvider</basecompoundref>
@@ -9,25 +9,27 @@
         <type>class Provider</type>
       </param>
     </templateparamlist>
-      <sectiondef kind="private-attrib">
+    <sectiondef kind="private-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a6679797ca81af02c9ba75e65ccf4c836" prot="private" static="no" mutable="no">
         <type>std::vector&lt; Provider &gt;</type>
         <definition>std::vector&lt;Provider&gt; examples</definition>
         <argsstring></argsstring>
         <name>examples</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::examples</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="321" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="321" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="321" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="321" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a465880796d95af0ed2be2a015b58202d" prot="private" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t currenti</definition>
         <argsstring></argsstring>
         <name>currenti</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::currenti</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -35,13 +37,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="322" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="322" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="322" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="322" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aad36546e8175d2922bee165fe028fedc" prot="private" static="no" mutable="no">
         <type>double</type>
         <definition>double min</definition>
         <argsstring></argsstring>
         <name>min</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::min</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -49,13 +52,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a0b0ede69e8156eb97acc579b88e883de" prot="private" static="no" mutable="no">
         <type>double</type>
         <definition>double max</definition>
         <argsstring></argsstring>
         <name>max</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::max</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -63,13 +67,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="15" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4736138d712d9ee570d0652f08a4786a" prot="private" static="no" mutable="no">
         <type>double</type>
         <definition>double step</definition>
         <argsstring></argsstring>
         <name>step</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::step</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -77,13 +82,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="323" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="323" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a61e9e4f44d01297c0fdd0d3fe827d534" prot="private" static="no" mutable="no">
         <type>int</type>
         <definition>int valpos</definition>
         <argsstring></argsstring>
         <name>valpos</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::valpos</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
         </briefdescription>
@@ -91,13 +97,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="324" column="7" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="324" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="324" column="7" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="324" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a328cfab556bca9b9fffefeb43a0dc490" prot="private" static="no" mutable="no">
         <type>bool</type>
         <definition>bool use_abs</definition>
         <argsstring></argsstring>
         <name>use_abs</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::use_abs</qualifiedname>
         <initializer>= true</initializer>
         <briefdescription>
         </briefdescription>
@@ -105,15 +112,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="325" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="325" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="325" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="325" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="private-func">
+    </sectiondef>
+    <sectiondef kind="private-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aafe02a48e6c0a187ad218cffeddab088" prot="private" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>unsigned</type>
         <definition>unsigned bin</definition>
         <argsstring>(double val) const</argsstring>
         <name>bin</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::bin</qualifiedname>
         <param>
           <type>double</type>
           <declname>val</declname>
@@ -124,28 +132,30 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="328" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="328" bodyend="337"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="328" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="328" bodyend="337"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ValueStratifiedExampleRefProfider</definition>
         <argsstring>()</argsstring>
         <name>ValueStratifiedExampleRefProfider</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="339" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="339" bodyend="339"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="339" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="339" bodyend="339"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ValueStratifiedExampleRefProfider</definition>
         <argsstring>(const ExampleProviderSettings &amp;parm)</argsstring>
         <name>ValueStratifiedExampleRefProfider</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::ValueStratifiedExampleRefProfider</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref> &amp;</type>
           <declname>parm</declname>
@@ -156,13 +166,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="340" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="340" bodyend="358"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="340" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="340" bodyend="358"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void addref</definition>
         <argsstring>(const ExampleRef &amp;ex)</argsstring>
         <name>addref</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::addref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc">addref</reimplements>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -174,13 +185,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="360" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="360" bodyend="366"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="360" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="360" bodyend="366"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t num_labels</definition>
         <argsstring>() const</argsstring>
         <name>num_labels</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::num_labels</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b">num_labels</reimplements>
         <briefdescription>
 <para>return number of labels in <emphasis>an</emphasis> example </para>
@@ -190,13 +202,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="368" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="368" bodyend="374"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="368" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="368" bodyend="374"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void setup</definition>
         <argsstring>()</argsstring>
         <name>setup</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::setup</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c">setup</reimplements>
         <briefdescription>
         </briefdescription>
@@ -204,13 +217,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="376" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="376" bodyend="393"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="376" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="376" bodyend="393"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>void nextref</definition>
         <argsstring>(ExampleRef &amp;ex)</argsstring>
         <name>nextref</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::nextref</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423">nextref</reimplements>
         <param>
           <type><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref> &amp;</type>
@@ -222,13 +236,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="395" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="395" bodyend="400"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="395" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="395" bodyend="400"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f">size</reimplements>
         <briefdescription>
         </briefdescription>
@@ -236,7 +251,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="402" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="402" bodyend="411"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="402" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="402" bodyend="411"/>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" compoundref="exampleref__providers_8h" startline="368" endline="374">ValueStratifiedExampleRefProfider&lt; Provider &gt;::num_labels</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8h" startline="376" endline="393">ValueStratifiedExampleRefProfider&lt; Provider &gt;::setup</referencedby>
       </memberdef>
@@ -245,6 +260,7 @@
         <definition>virtual size_t small_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>small_epoch_size</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::small_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc">small_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in small epoch. </para>
@@ -253,13 +269,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="413" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="413" bodyend="422"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="413" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="413" bodyend="422"/>
+        <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a9c66646cb491b4c4620dcfe627f5451d" compoundref="exampleref__providers_8h" startline="413" endline="422">ValueStratifiedExampleRefProfider&lt; Provider &gt;::small_epoch_size</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ac2a4bfd5fd0579c2377a181a7bae1395" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t large_epoch_size</definition>
         <argsstring>() const</argsstring>
         <name>large_epoch_size</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::large_epoch_size</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca">large_epoch_size</reimplements>
         <briefdescription>
 <para>Return number of example in large epoch. </para>
@@ -268,13 +286,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="424" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="424" bodyend="432"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="424" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="424" bodyend="432"/>
+        <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ac2a4bfd5fd0579c2377a181a7bae1395" compoundref="exampleref__providers_8h" startline="424" endline="432">ValueStratifiedExampleRefProfider&lt; Provider &gt;::large_epoch_size</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void reset</definition>
         <argsstring>()</argsstring>
         <name>reset</name>
+        <qualifiedname>libmolgrid::ValueStratifiedExampleRefProfider::reset</qualifiedname>
         <reimplements refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1">reset</reimplements>
         <briefdescription>
 <para>Reset iterators to start. </para>
@@ -283,13 +303,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="434" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="434" bodyend="441"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="434" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="434" bodyend="441"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>bool</type>
         <definition>virtual bool has_group</definition>
         <argsstring>() const</argsstring>
         <name>has_group</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::has_group</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028">has_group</reimplementedby>
         <briefdescription>
         </briefdescription>
@@ -297,13 +318,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="36" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" compoundref="exampleref__providers_8cpp" startline="48" endline="62">ExampleRefProvider::populate</referencedby>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>void</type>
         <definition>virtual void check_batch_size</definition>
         <argsstring>(unsigned bsize) const</argsstring>
         <name>check_batch_size</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::check_batch_size</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a">check_batch_size</reimplementedby>
         <param>
           <type>unsigned</type>
@@ -316,13 +339,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="37" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="37" bodyend="37"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" prot="public" static="no" const="no" explicit="no" inline="no" virt="virtual">
         <type>int</type>
         <definition>int populate</definition>
         <argsstring>(std::istream &amp;lines, int numlabels)</argsstring>
         <name>populate</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::populate</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>lines</declname>
@@ -338,14 +362,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" compoundref="example__dataset_8cpp" startline="45" endline="50">ExampleDataset::populate</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="41" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" bodystart="48" bodyend="62"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_small_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_small_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_small_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20">get_small_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current small epoch number. </para>
@@ -354,13 +378,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="44" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="44" bodyend="44"/>
       </memberdef>
       <memberdef kind="function" id="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="virtual">
         <type>size_t</type>
         <definition>virtual size_t get_large_epoch_num</definition>
         <argsstring>() const</argsstring>
         <name>get_large_epoch_num</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::get_large_epoch_num</qualifiedname>
         <reimplementedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ac881e6a758225142e37f3811184b156c">get_large_epoch_num</reimplementedby>
         <briefdescription>
 <para>Return current large epoch number. </para>
@@ -369,15 +394,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="47" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="47" bodyend="47"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="protected-attrib">
+    </sectiondef>
+    <sectiondef kind="protected-attrib">
       <memberdef kind="variable" id="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" prot="protected" static="no" mutable="no">
         <type>size_t</type>
         <definition>size_t cnt</definition>
         <argsstring></argsstring>
         <name>cnt</name>
+        <qualifiedname>libmolgrid::ExampleRefProvider::cnt</qualifiedname>
         <initializer>= 1</initializer>
         <briefdescription>
         </briefdescription>
@@ -385,51 +411,53 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="25" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="25" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" compoundref="exampleref__providers_8h" startline="47" endline="47">ExampleRefProvider::get_large_epoch_num</referencedby>
         <referencedby refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" compoundref="exampleref__providers_8h" startline="44" endline="44">ExampleRefProvider::get_small_epoch_num</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="126" endline="137">BalancedExampleRefProvider::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8cpp" startline="77" endline="97">UniformExampleRefProvider::nextref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="395" endline="400">ValueStratifiedExampleRefProfider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="128" endline="128">BalancedExampleRefProvider::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="300" endline="308">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="186" endline="186">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::reset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="93" endline="93">UniformExampleRefProvider::reset</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="434" endline="441">ValueStratifiedExampleRefProfider&lt; Provider &gt;::reset</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" compoundref="exampleref__providers_8h" startline="555" endline="561">GroupedExampleRefProvider&lt; Provider &gt;::reset</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Partition examples by affinity and sample uniformly from each affinity bin affinities are binned by absolute value according to molgriddataparameters. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <inheritancegraph>
-      <node id="2">
-        <label>ExampleRefProvider</label>
-        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
-      </node>
       <node id="1">
         <label>ValueStratifiedExampleRefProfider&lt; Provider &gt;</label>
         <link refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
-    </inheritancegraph>
-    <collaborationgraph>
       <node id="2">
         <label>ExampleRefProvider</label>
         <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
       </node>
+    </inheritancegraph>
+    <collaborationgraph>
       <node id="1">
         <label>ValueStratifiedExampleRefProfider&lt; Provider &gt;</label>
         <link refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider"/>
         <childnode refid="2" relation="public-inheritance">
         </childnode>
       </node>
+      <node id="2">
+        <label>ExampleRefProvider</label>
+        <link refid="classlibmolgrid_1_1ExampleRefProvider"/>
+      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" line="320" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="319" bodyend="442"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" line="319" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h" bodystart="320" bodyend="442"/>
     <listofallmembers>
       <member refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a" prot="public" virt="virtual"><scope>libmolgrid::ValueStratifiedExampleRefProfider</scope><name>addref</name></member>
       <member refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1aafe02a48e6c0a187ad218cffeddab088" prot="private" virt="non-virtual"><scope>libmolgrid::ValueStratifiedExampleRefProfider</scope><name>bin</name></member>
diff --git a/docs/cpp/xml/combine.xslt b/docs/cpp/xml/combine.xslt
index f0ee1fd9..3bfa82c1 100644
--- a/docs/cpp/xml/combine.xslt
+++ b/docs/cpp/xml/combine.xslt
@@ -5,7 +5,7 @@
 <xsl:stylesheet xmlns:xsl="http://www.w3.org/1999/XSL/Transform" version="1.0">
   <xsl:output method="xml" version="1.0" indent="no" standalone="yes" />
   <xsl:template match="/">
-    <doxygen version="{doxygenindex/@version}">
+    <doxygen version="{doxygenindex/@version}" xml:lang="{doxygenindex/@xml:lang}">
       <!-- Load all doxygen generated xml files -->
       <xsl:for-each select="doxygenindex/compound">
         <xsl:copy-of select="document( concat( @refid, '.xml' ) )/doxygen/*" />
diff --git a/docs/cpp/xml/common_8h.xml b/docs/cpp/xml/common_8h.xml
index c3884058..d3f6183b 100644
--- a/docs/cpp/xml/common_8h.xml
+++ b/docs/cpp/xml/common_8h.xml
@@ -1,12 +1,23 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="common_8h" kind="file" language="C++">
     <compoundname>common.h</compoundname>
     <includes local="no">memory</includes>
     <includes local="no">cstring</includes>
-    <includes local="no">cuda_runtime_api.h</includes>
-    <includes local="no">cuda.h</includes>
+    <includes local="no">stdexcept</includes>
+    <includes local="no">iostream</includes>
+    <includes local="no">string</includes>
+    <includes local="yes">libmolgrid/config.h</includes>
+    <includedby refid="coord__cache_8cpp" local="yes">coord_cache.cpp</includedby>
+    <includedby refid="coordinateset_8cpp" local="yes">coordinateset.cpp</includedby>
+    <includedby refid="example_8cpp" local="yes">example.cpp</includedby>
+    <includedby refid="example__extractor_8cpp" local="yes">example_extractor.cpp</includedby>
     <includedby refid="grid_8h" local="yes">grid.h</includedby>
+    <includedby refid="grid__interpolater_8h" local="yes">grid_interpolater.h</includedby>
+    <includedby refid="grid__maker_8h" local="yes">grid_maker.h</includedby>
+    <includedby refid="libmolgrid_8h" local="yes">libmolgrid.h</includedby>
+    <includedby refid="metal__context_8h" local="yes">metal_context.h</includedby>
+    <includedby refid="quaternion_8h" local="yes">quaternion.h</includedby>
     <incdepgraph>
       <node id="1">
         <label>common.h</label>
@@ -19,227 +30,285 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>cuda.h</label>
-      </node>
-      <node id="4">
-        <label>cuda_runtime_api.h</label>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
       </node>
       <node id="3">
         <label>cstring</label>
       </node>
+      <node id="5">
+        <label>iostream</label>
+      </node>
+      <node id="7">
+        <label>libmolgrid/config.h</label>
+      </node>
       <node id="2">
         <label>memory</label>
       </node>
+      <node id="4">
+        <label>stdexcept</label>
+      </node>
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         </childnode>
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         </childnode>
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+        <link refid="grid__io_8h"/>
+        <childnode refid="12" relation="include">
+        </childnode>
       </node>
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+        <label>grid_maker.h</label>
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-        <label>common.h</label>
-        <link refid="common_8h"/>
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+        <label>libmolgrid.h</label>
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-        <label>transform.cpp</label>
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+        <label>managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="7" relation="include">
+        </childnode>
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+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
       </node>
-      <node id="23">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
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+        <label>metal_context.h</label>
+        <link refid="metal__context_8h"/>
       </node>
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-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
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+        <label>quaternion.h</label>
+        <link refid="quaternion_8h"/>
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+        </childnode>
       </node>
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-        <label>managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
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         </childnode>
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         </childnode>
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+        <link refid="cartesian__grid_8cpp"/>
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         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
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         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
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+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
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+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
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-        <childnode refid="9" relation="include">
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-        <childnode refid="28" relation="include">
-        </childnode>
+        <label>grid_io.cpp</label>
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+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
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+      <node id="15">
+        <label>libmolgrid.cpp</label>
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+    <innerclass refid="structint2" prot="public">int2</innerclass>
+    <innerclass refid="structint3" prot="public">int3</innerclass>
+    <innerclass refid="structuint2" prot="public">uint2</innerclass>
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+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" compoundref="grid_8h" startline="310" endline="312">Grid&lt; Dtype, 1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" compoundref="grid_8h" startline="165" endline="167">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" compoundref="grid_8h" startline="170" endline="172">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator()</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" compoundref="quaternion_8h" startline="79" endline="88">Quaternion::operator*</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" compoundref="quaternion_8h" startline="56" endline="62">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" compoundref="quaternion_8h" startline="91" endline="94">Quaternion::operator*=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" compoundref="quaternion_8h" startline="74" endline="76">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" compoundref="quaternion_8h" startline="102" endline="116">Quaternion::operator/</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" compoundref="quaternion_8h" startline="65" endline="71">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" compoundref="quaternion_8h" startline="119" endline="122">Quaternion::operator/=</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" compoundref="quaternion_8h" startline="97" endline="99">Quaternion::operator==</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" compoundref="grid_8h" startline="296" endline="299">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" compoundref="grid_8h" startline="301" endline="304">Grid&lt; Dtype, 1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" compoundref="grid_8h" startline="156" endline="159">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::operator[]</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" compoundref="quaternion_8h" startline="26" endline="28">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" compoundref="quaternion_8h" startline="31" endline="33">Quaternion::Quaternion</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" compoundref="quaternion_8h" startline="36" endline="38">Quaternion::R_component_1</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" compoundref="quaternion_8h" startline="41" endline="43">Quaternion::R_component_2</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" compoundref="quaternion_8h" startline="46" endline="48">Quaternion::R_component_3</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" compoundref="quaternion_8h" startline="51" endline="53">Quaternion::R_component_4</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7">GridMaker::set_atoms</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a5b9825bf1ac9b7ab67fd6a9c300212d8" compoundref="grid__maker_8h" startline="108" endline="108">GridMaker::set_binary</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" compoundref="grid_8h" startline="289" endline="289">Grid&lt; Dtype, 1, isCUDA &gt;::set_buffer</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" compoundref="grid_8h" startline="110" endline="110">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::set_buffer</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aee2b3af3532909f14ad4cb8c923849ba" compoundref="grid__maker_8h" startline="101" endline="101">GridMaker::set_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" compoundref="grid__interpolater_8h" startline="91" endline="97">GridInterpolater::set_in_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" compoundref="grid__interpolater_8h" startline="75" endline="81">GridInterpolater::set_in_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" compoundref="grid__interpolater_8h" startline="99" endline="99">GridInterpolater::set_out_dimension</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" compoundref="grid__interpolater_8h" startline="83" endline="83">GridInterpolater::set_out_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a07a5ecd13fefad2d587a4b0276f38be5" compoundref="grid__maker_8h" startline="113" endline="113">GridMaker::set_radii_type_indexed</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd8e9799b74142e23778dddbda02519b" compoundref="grid__maker_8h" startline="96" endline="96">GridMaker::set_resolution</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" compoundref="grid_8h" startline="281" endline="281">Grid&lt; Dtype, 1, isCUDA &gt;::size</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" compoundref="grid_8h" startline="98" endline="104">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::size</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" compoundref="quaternion_8h" startline="147" endline="154">Quaternion::transform</referencedby>
       </memberdef>
       <memberdef kind="define" id="common_8h_1aae0d7f428b69470abdad707078ba2acb" prot="public" static="no">
         <name>CUDA_DEVICE_MEMBER</name>
@@ -258,22 +396,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="20" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="20" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="28" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="28" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c">GridMaker::set_atoms</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7">GridMaker::set_atoms</referencedby>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a20904151946f0fa7480bd53aae19bd4f" prot="public" static="no">
         <name>LMG_CUDA_KERNEL_LOOP</name>
         <param><defname>i</defname></param>
         <param><defname>n</defname></param>
-        <initializer>  for (int i = blockIdx.x * blockDim.x + threadIdx.x; \
-       i &lt; (n); \
-       i += blockDim.x * gridDim.x)</initializer>
+        <initializer>for (int i = 0; i &lt; static_cast&lt;int&gt;(n); i++)</initializer>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="24" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="24" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="55" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="55" bodyend="56"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a9e253719885e410b7c64b95d97b7f881" prot="public" static="no">
         <name>LMG_CUDA_NUM_THREADS</name>
@@ -284,7 +422,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="30" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="30" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="59" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="59" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a30e49f29289f693fbfe768d590132652" prot="public" static="no">
         <name>LMG_CUDA_BLOCKDIM</name>
@@ -295,7 +433,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="31" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="31" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="60" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="60" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a9f32493f7d15ce12f1924944a5ba065a" prot="public" static="no">
         <name>LOG2_WARP_SIZE</name>
@@ -306,7 +444,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="32" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="32" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="61" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="61" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a9ea0293fb7dcba88f071c44fd145819e" prot="public" static="no">
         <name>WARP_SIZE</name>
@@ -317,7 +455,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="33" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="33" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="62" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="62" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1abdf19194f44a3fb9e5c12883f40b1cef" prot="public" static="no">
         <name>LMG_GET_BLOCKS</name>
@@ -329,38 +467,273 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="36" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="36" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="64" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="64" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1a70ddc4b6982996cbaba9ec10e864b214" prot="public" static="no">
         <name>LMG_GET_THREADS</name>
         <param><defname>N</defname></param>
-        <initializer>min(N,<ref refid="common_8h_1a9e253719885e410b7c64b95d97b7f881" kindref="member">LMG_CUDA_NUM_THREADS</ref>)</initializer>
+        <initializer>((unsigned(N) &lt; <ref refid="common_8h_1a9e253719885e410b7c64b95d97b7f881" kindref="member">LMG_CUDA_NUM_THREADS</ref>) ? unsigned(N) : <ref refid="common_8h_1a9e253719885e410b7c64b95d97b7f881" kindref="member">LMG_CUDA_NUM_THREADS</ref>)</initializer>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" line="38" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h" bodystart="38" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="65" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="65" bodyend="-1"/>
       </memberdef>
       <memberdef kind="define" id="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" prot="public" static="no">
         <name>LMG_CUDA_CHECK</name>
         <param><defname>condition</defname></param>
-        <initializer>  /* Code block avoids redefinition of cudaError_t error */ \
-  do { \
-    cudaError_t error = condition; \
-    if(error != cudaSuccess) {                                          \
-        std::cerr &lt;&lt; __FILE__ &lt;&lt; &quot;:&quot; &lt;&lt; __LINE__ &lt;&lt; &quot;: &quot; &lt;&lt; cudaGetErrorString(error); throw std::runtime_error(std::string(&quot;CUDA Error: &quot;)+cudaGetErrorString(error)); } \
-  } while (0)</initializer>
+        <initializer>(condition)</initializer>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="79" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="79" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="124" endline="142">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="350" endline="364">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="208" endline="222">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" compoundref="managed__grid_8h" startline="230" endline="250">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" compoundref="managed__grid_8h" startline="252" endline="276">ManagedGridBase&lt; Dtype, 1 &gt;::copyFrom</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" compoundref="managed__grid_8h" startline="285" endline="331">ManagedGridBase&lt; Dtype, 1 &gt;::copyInto</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="333" endline="347">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="190" endline="204">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" compoundref="managed__grid_8h" startline="175" endline="195">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" compoundref="managed__grid_8h" startline="197" endline="221">ManagedGridBase&lt; Dtype, 1 &gt;::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="279" endline="301">Example::extract_label</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" compoundref="example_8cpp" startline="253" endline="272">Example::extract_labels</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="314" endline="324">Grid&lt; Dtype, 1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" compoundref="grid_8h" startline="225" endline="235">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::fill_zero</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" compoundref="managed__grid_8h" startline="417" endline="429">ManagedGridBase&lt; Dtype, 1 &gt;::tocpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" compoundref="managed__grid_8h" startline="387" endline="415">ManagedGridBase&lt; Dtype, 1 &gt;::togpu</referencedby>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="func">
+      <memberdef kind="function" id="common_8h_1afcbdb49f29f7718a4b6690e5389551fb" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="structfloat2" kindref="compound">float2</ref></type>
+        <definition>float2 make_float2</definition>
+        <argsstring>(float x, float y)</argsstring>
+        <name>make_float2</name>
+        <param>
+          <type>float</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>y</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="41" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="41" bodyend="41"/>
+      </memberdef>
+      <memberdef kind="function" id="common_8h_1a30e8664f6bf2996bbb07759857d474fd" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+        <definition>float3 make_float3</definition>
+        <argsstring>(float x, float y, float z)</argsstring>
+        <name>make_float3</name>
+        <param>
+          <type>float</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>y</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>z</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="42" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="42" bodyend="42"/>
+        <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" compoundref="coordinateset_8cpp" startline="214" endline="229">CoordinateSet::center</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" compoundref="grid__interpolater_8h" startline="120" endline="123">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" compoundref="grid__interpolater_8h" startline="127" endline="130">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" compoundref="grid__maker_8h" startline="88" endline="90">GridMaker::get_grid_dims</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" compoundref="quaternion_8h" startline="140" endline="144">Quaternion::rotate</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" compoundref="transform_8h" startline="33" endline="36">Transform::Transform</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" compoundref="quaternion_8h" startline="147" endline="154">Quaternion::transform</referencedby>
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+        <type><ref refid="structfloat4" kindref="compound">float4</ref></type>
+        <definition>float4 make_float4</definition>
+        <argsstring>(float x, float y, float z, float w)</argsstring>
+        <name>make_float4</name>
+        <param>
+          <type>float</type>
+          <declname>x</declname>
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+        <param>
+          <type>float</type>
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+        <definition>int2 make_int2</definition>
+        <argsstring>(int x, int y)</argsstring>
+        <name>make_int2</name>
+        <param>
+          <type>int</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>int</type>
+          <declname>y</declname>
+        </param>
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+        </briefdescription>
+        <detaileddescription>
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+        <inbodydescription>
+        </inbodydescription>
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+      </memberdef>
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+        <type><ref refid="structint3" kindref="compound">int3</ref></type>
+        <definition>int3 make_int3</definition>
+        <argsstring>(int x, int y, int z)</argsstring>
+        <name>make_int3</name>
+        <param>
+          <type>int</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>int</type>
+          <declname>y</declname>
+        </param>
+        <param>
+          <type>int</type>
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+        </briefdescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="45" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="45" bodyend="45"/>
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+      <memberdef kind="function" id="common_8h_1abf417bac64c6e9a8c2bdb0cc7794efc3" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="structuint2" kindref="compound">uint2</ref></type>
+        <definition>uint2 make_uint2</definition>
+        <argsstring>(unsigned x, unsigned y)</argsstring>
+        <name>make_uint2</name>
+        <param>
+          <type>unsigned</type>
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+        </param>
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+        <type><ref refid="structuint3" kindref="compound">uint3</ref></type>
+        <definition>uint3 make_uint3</definition>
+        <argsstring>(unsigned x, unsigned y, unsigned z)</argsstring>
+        <name>make_uint3</name>
+        <param>
+          <type>unsigned</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>unsigned</type>
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+        </param>
+        <param>
+          <type>unsigned</type>
+          <declname>z</declname>
+        </param>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="47" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="47" bodyend="47"/>
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+      <memberdef kind="function" id="common_8h_1a46fe05783f65f4a7d782a74e2f6a8e5a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="structdouble3" kindref="compound">double3</ref></type>
+        <definition>double3 make_double3</definition>
+        <argsstring>(double x, double y, double z)</argsstring>
+        <name>make_double3</name>
+        <param>
+          <type>double</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>double</type>
+          <declname>y</declname>
+        </param>
+        <param>
+          <type>double</type>
+          <declname>z</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="48" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="48" bodyend="48"/>
+      </memberdef>
+      <memberdef kind="function" id="common_8h_1add87c391c013af78e989b154b39b6516" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>std::string</type>
+        <definition>std::string itoa</definition>
+        <argsstring>(size_t v)</argsstring>
+        <name>itoa</name>
+        <param>
+          <type>size_t</type>
+          <declname>v</declname>
+        </param>
         <briefdescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="82" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="82" bodyend="82"/>
       </memberdef>
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     <briefdescription>
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@@ -369,7 +742,7 @@
 <codeline lineno="1"><highlight class="comment">/*</highlight></codeline>
 <codeline lineno="2"><highlight class="comment"><sp/>*<sp/>common.h</highlight></codeline>
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-<codeline lineno="4"><highlight class="comment"><sp/>*<sp/>Utility<sp/>functions<sp/>and<sp/>definitions</highlight></codeline>
+<codeline lineno="4"><highlight class="comment"><sp/>*<sp/>Utility<sp/>functions<sp/>and<sp/>definitions.</highlight></codeline>
 <codeline lineno="5"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="6"><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>COMMON_H_</highlight><highlight class="normal"></highlight></codeline>
@@ -377,50 +750,80 @@
 <codeline lineno="9"><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;memory&gt;</highlight><highlight class="normal"></highlight></codeline>
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+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;stdexcept&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iostream&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;string&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;libmolgrid/config.h&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime_api.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda.h&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="22"><highlight class="normal"></highlight></codeline>
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-<codeline lineno="26"><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/><sp/>i<sp/>&lt;<sp/>(n);<sp/>\</highlight></codeline>
-<codeline lineno="27"><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/><sp/>i<sp/>+=<sp/>blockDim.x<sp/>*<sp/>gridDim.x)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="28"><highlight class="normal"></highlight></codeline>
-<codeline lineno="29"><highlight class="normal"></highlight><highlight class="comment">//<sp/>CUDA:<sp/>use<sp/>512<sp/>threads<sp/>per<sp/>block</highlight><highlight class="normal"></highlight></codeline>
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-<codeline lineno="34"><highlight class="normal"></highlight></codeline>
-<codeline lineno="35"><highlight class="normal"></highlight><highlight class="comment">//<sp/>CUDA:<sp/>number<sp/>of<sp/>blocks<sp/>for<sp/>threads.</highlight><highlight class="normal"></highlight></codeline>
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-<codeline lineno="37"><highlight class="normal"></highlight><highlight class="comment">//<sp/>CUDA:<sp/>combined<sp/>with<sp/>GET_BLOCKS,<sp/>number<sp/>of<sp/>threads</highlight><highlight class="normal"></highlight></codeline>
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-<codeline lineno="39"><highlight class="normal"></highlight></codeline>
-<codeline lineno="40"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>__CUDA_ARCH__</highlight><highlight class="normal"></highlight></codeline>
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-<codeline lineno="42"><highlight class="preprocessor"><sp/><sp/></highlight><highlight class="comment">/*<sp/>Code<sp/>block<sp/>avoids<sp/>redefinition<sp/>of<sp/>cudaError_t<sp/>error<sp/>*/</highlight><highlight class="preprocessor"><sp/>\</highlight></codeline>
-<codeline lineno="43"><highlight class="preprocessor"><sp/><sp/>do<sp/>{<sp/>\</highlight></codeline>
-<codeline lineno="44"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>cudaError_t<sp/>error<sp/>=<sp/>condition;<sp/>\</highlight></codeline>
-<codeline lineno="45"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>if(error<sp/>!=<sp/>cudaSuccess)<sp/>{<sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>\</highlight></codeline>
-<codeline lineno="46"><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::cerr<sp/>&lt;&lt;<sp/>__FILE__<sp/>&lt;&lt;<sp/>&quot;:&quot;<sp/>&lt;&lt;<sp/>__LINE__<sp/>&lt;&lt;<sp/>&quot;:<sp/>&quot;<sp/>&lt;&lt;<sp/>cudaGetErrorString(error);<sp/>throw<sp/>std::runtime_error(std::string(&quot;CUDA<sp/>Error:<sp/>&quot;)+cudaGetErrorString(error));<sp/>}<sp/>\</highlight></codeline>
-<codeline lineno="47"><highlight class="preprocessor"><sp/><sp/>}<sp/>while<sp/>(0)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="48"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="49"><highlight class="normal"></highlight><highlight class="comment">//<sp/>probably<sp/>don&apos;t<sp/>want<sp/>to<sp/>make<sp/>API<sp/>calls<sp/>on<sp/>the<sp/>device.</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_CHECK(condition)<sp/>condition</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="51"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
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+<codeline lineno="23"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA<sp/>&amp;&amp;<sp/>defined(__CUDACC__)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>CUDA_CALLABLE_MEMBER<sp/>__host__<sp/>__device__</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="25"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>CUDA_DEVICE_MEMBER<sp/>__device__</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="27" refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>CUDA_CALLABLE_MEMBER</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="28" refid="common_8h_1aae0d7f428b69470abdad707078ba2acb" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>CUDA_DEVICE_MEMBER</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="29"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="30"><highlight class="normal"></highlight></codeline>
+<codeline lineno="31"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>!LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="32" refid="structfloat2_1ad0da36b2558901e21e7a30f6c227a45e" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structfloat2" kindref="compound">float2</ref><sp/>{<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structfloat2_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/><ref refid="structfloat2_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="33" refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structfloat3" kindref="compound">float3</ref><sp/>{<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/><ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/><ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="34" refid="structfloat4_1a56eca241e2896b9f57a79589e76fd24b" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structfloat4" kindref="compound">float4</ref><sp/>{<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structfloat4_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/><ref refid="structfloat4_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/><ref refid="structfloat4_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/><ref refid="structfloat4_1a56eca241e2896b9f57a79589e76fd24b" kindref="member">w</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="35" refid="structint2_1a6150e0515f7202e2fb518f7206ed97dc" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structint2" kindref="compound">int2</ref><sp/>{<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structint2_1a6150e0515f7202e2fb518f7206ed97dc" kindref="member">x</ref>,<sp/><ref refid="structint2_1a0a2f84ed7838f07779ae24c5a9086d33" kindref="member">y</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="36" refid="structint3_1a6150e0515f7202e2fb518f7206ed97dc" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structint3" kindref="compound">int3</ref><sp/>{<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structint3_1a6150e0515f7202e2fb518f7206ed97dc" kindref="member">x</ref>,<sp/><ref refid="structint3_1a0a2f84ed7838f07779ae24c5a9086d33" kindref="member">y</ref>,<sp/><ref refid="structint3_1a14f94e529dff0b8bfba8e16fbe9755d6" kindref="member">z</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="37" refid="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structuint2" kindref="compound">uint2</ref><sp/>{<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" kindref="member">x</ref>,<sp/><ref refid="structuint2_1ac30de26db5f6d1c18c63913729adca7d" kindref="member">y</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="38" refid="structuint3_1a676e0da0ef83bbbdf42538e54b97506b" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structuint3" kindref="compound">uint3</ref><sp/>{<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structuint3_1a676e0da0ef83bbbdf42538e54b97506b" kindref="member">x</ref>,<sp/><ref refid="structuint3_1ac30de26db5f6d1c18c63913729adca7d" kindref="member">y</ref>,<sp/><ref refid="structuint3_1a3d99b005d0fb73033dce14d4a135d01f" kindref="member">z</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="39" refid="structdouble3_1af88b946fb90d5f08b5fb740c70e98c10" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structdouble3" kindref="compound">double3</ref><sp/>{<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="structdouble3_1af88b946fb90d5f08b5fb740c70e98c10" kindref="member">x</ref>,<sp/><ref refid="structdouble3_1ab927965981178aa1fba979a37168db2a" kindref="member">y</ref>,<sp/><ref refid="structdouble3_1ab3e6ed577a7c669c19de1f9c1b46c872" kindref="member">z</ref>;<sp/>};</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"></highlight></codeline>
+<codeline lineno="41" refid="common_8h_1afcbdb49f29f7718a4b6690e5389551fb" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structfloat2" kindref="compound">float2</ref><sp/><ref refid="common_8h_1afcbdb49f29f7718a4b6690e5389551fb" kindref="member">make_float2</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y};<sp/>}</highlight></codeline>
+<codeline lineno="42" refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y,<sp/>z};<sp/>}</highlight></codeline>
+<codeline lineno="43" refid="common_8h_1ac6a8d5ade69f09f2562c8ebefb998543" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structfloat4" kindref="compound">float4</ref><sp/><ref refid="common_8h_1ac6a8d5ade69f09f2562c8ebefb998543" kindref="member">make_float4</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>w)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y,<sp/>z,<sp/>w};<sp/>}</highlight></codeline>
+<codeline lineno="44" refid="common_8h_1a24a084027771d758aa545eb276de6f62" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structint2" kindref="compound">int2</ref><sp/><ref refid="common_8h_1a24a084027771d758aa545eb276de6f62" kindref="member">make_int2</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>y)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y};<sp/>}</highlight></codeline>
+<codeline lineno="45" refid="common_8h_1a1ecdea95ad8e10fdc157c887c65209a7" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structint3" kindref="compound">int3</ref><sp/><ref refid="common_8h_1a1ecdea95ad8e10fdc157c887c65209a7" kindref="member">make_int3</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>z)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y,<sp/>z};<sp/>}</highlight></codeline>
+<codeline lineno="46" refid="common_8h_1abf417bac64c6e9a8c2bdb0cc7794efc3" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/><ref refid="common_8h_1abf417bac64c6e9a8c2bdb0cc7794efc3" kindref="member">make_uint2</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>y)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y};<sp/>}</highlight></codeline>
+<codeline lineno="47" refid="common_8h_1af6ede924b639188fb6b60b54cc276381" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structuint3" kindref="compound">uint3</ref><sp/><ref refid="common_8h_1af6ede924b639188fb6b60b54cc276381" kindref="member">make_uint3</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>z)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y,<sp/>z};<sp/>}</highlight></codeline>
+<codeline lineno="48" refid="common_8h_1a46fe05783f65f4a7d782a74e2f6a8e5a" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structdouble3" kindref="compound">double3</ref><sp/><ref refid="common_8h_1a46fe05783f65f4a7d782a74e2f6a8e5a" kindref="member">make_double3</ref>(</highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>z)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>{x,<sp/>y,<sp/>z};<sp/>}</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="50"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="52"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_KERNEL_LOOP(i,<sp/>n)<sp/>\</highlight></codeline>
+<codeline lineno="53"><highlight class="preprocessor"><sp/><sp/>for<sp/>(int<sp/>i<sp/>=<sp/>blockIdx.x<sp/>*<sp/>blockDim.x<sp/>+<sp/>threadIdx.x;<sp/>i<sp/>&lt;<sp/>(n);<sp/>i<sp/>+=<sp/>blockDim.x<sp/>*<sp/>gridDim.x)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="54"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="55" refid="common_8h_1a20904151946f0fa7480bd53aae19bd4f" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_KERNEL_LOOP(i,<sp/>n)<sp/>\</highlight></codeline>
+<codeline lineno="56"><highlight class="preprocessor"><sp/><sp/>for<sp/>(int<sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>static_cast&lt;int&gt;(n);<sp/>i++)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="58"><highlight class="normal"></highlight></codeline>
+<codeline lineno="59" refid="common_8h_1a9e253719885e410b7c64b95d97b7f881" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_NUM_THREADS<sp/>512</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="60" refid="common_8h_1a30e49f29289f693fbfe768d590132652" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_BLOCKDIM<sp/>8</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="61" refid="common_8h_1a9f32493f7d15ce12f1924944a5ba065a" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LOG2_WARP_SIZE<sp/>5U</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="62" refid="common_8h_1a9ea0293fb7dcba88f071c44fd145819e" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>WARP_SIZE<sp/>(1U<sp/>&lt;&lt;<sp/>LOG2_WARP_SIZE)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="63"><highlight class="normal"></highlight></codeline>
+<codeline lineno="64" refid="common_8h_1abdf19194f44a3fb9e5c12883f40b1cef" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_GET_BLOCKS(N)<sp/>((unsigned(N)<sp/>+<sp/>LMG_CUDA_NUM_THREADS<sp/>-<sp/>1)<sp/>/<sp/>LMG_CUDA_NUM_THREADS)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="65" refid="common_8h_1a70ddc4b6982996cbaba9ec10e864b214" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_GET_THREADS(N)<sp/>((unsigned(N)<sp/>&lt;<sp/>LMG_CUDA_NUM_THREADS)<sp/>?<sp/>unsigned(N)<sp/>:<sp/>LMG_CUDA_NUM_THREADS)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight></codeline>
+<codeline lineno="67"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA<sp/>&amp;&amp;<sp/>!defined(__CUDA_ARCH__)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="68"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_CHECK(condition)<sp/>\</highlight></codeline>
+<codeline lineno="69"><highlight class="preprocessor"><sp/><sp/>do<sp/>{<sp/>\</highlight></codeline>
+<codeline lineno="70"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>cudaError_t<sp/>error<sp/>=<sp/>condition;<sp/>\</highlight></codeline>
+<codeline lineno="71"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>if(error<sp/>!=<sp/>cudaSuccess)<sp/>{<sp/>\</highlight></codeline>
+<codeline lineno="72"><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>std::cerr<sp/>&lt;&lt;<sp/>__FILE__<sp/>&lt;&lt;<sp/>&quot;:&quot;<sp/>&lt;&lt;<sp/>__LINE__<sp/>&lt;&lt;<sp/>&quot;:<sp/>&quot;<sp/>&lt;&lt;<sp/>cudaGetErrorString(error);<sp/>\</highlight></codeline>
+<codeline lineno="73"><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>throw<sp/>std::runtime_error(std::string(&quot;CUDA<sp/>Error:<sp/>&quot;)<sp/>+<sp/>cudaGetErrorString(error));<sp/>\</highlight></codeline>
+<codeline lineno="74"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>}<sp/>\</highlight></codeline>
+<codeline lineno="75"><highlight class="preprocessor"><sp/><sp/>}<sp/>while<sp/>(0)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="76"><highlight class="normal"></highlight><highlight class="preprocessor">#elif<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="77"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_CHECK(condition)<sp/>condition</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="78"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="79" refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LMG_CUDA_CHECK(condition)<sp/>(condition)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="80"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="81"><highlight class="normal"></highlight></codeline>
+<codeline lineno="82" refid="common_8h_1add87c391c013af78e989b154b39b6516" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="common_8h_1add87c391c013af78e989b154b39b6516" kindref="member">itoa</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>v)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::to_string(v);<sp/>}</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"></highlight></codeline>
+<codeline lineno="84"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>COMMON_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/common.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/compound.xsd b/docs/cpp/xml/compound.xsd
index 083df158..4c971c50 100644
--- a/docs/cpp/xml/compound.xsd
+++ b/docs/cpp/xml/compound.xsd
@@ -1,5 +1,7 @@
 <?xml version='1.0' encoding='utf-8' ?>
 <xsd:schema xmlns:xsd="http://www.w3.org/2001/XMLSchema">
+  <xsd:import namespace="http://www.w3.org/XML/1998/namespace" schemaLocation="xml.xsd"/>
+
   <xsd:element name="doxygen" type="DoxygenType"/>
 
   <!-- Complex types -->
@@ -9,6 +11,7 @@
       <xsd:element name="compounddef" type="compounddefType" minOccurs="0" />
     </xsd:sequence>
     <xsd:attribute name="version" type="DoxVersionNumber" use="required" />
+    <xsd:attribute ref="xml:lang" use="required"/>
   </xsd:complexType>
 
   <xsd:complexType name="compounddefType">
@@ -21,20 +24,29 @@
       <xsd:element name="includedby" type="incType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="incdepgraph" type="graphType" minOccurs="0" />
       <xsd:element name="invincdepgraph" type="graphType" minOccurs="0" />
+      <xsd:element name="innermodule" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innerdir" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innerfile" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innerclass" type="refType" minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="innerconcept" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innernamespace" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innerpage" type="refType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="innergroup" type="refType" minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="qualifier" type="xsd:string" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="templateparamlist" type="templateparamlistType" minOccurs="0" />
       <xsd:element name="sectiondef" type="sectiondefType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="tableofcontents" type="tableofcontentsType" minOccurs="0" maxOccurs="1" />
+      <xsd:element name="requiresclause" type="linkedTextType" minOccurs="0" />
+      <xsd:element name="initializer" type="linkedTextType" minOccurs="0" />
+      <xsd:element name="conceptparts" type="conceptParts" minOccurs="0" />
       <xsd:element name="briefdescription" type="descriptionType" minOccurs="0" />
       <xsd:element name="detaileddescription" type="descriptionType" minOccurs="0" />
+      <xsd:element name="exports" type="exportsType" minOccurs="0" maxOccurs="1"/>
       <xsd:element name="inheritancegraph" type="graphType" minOccurs="0" />
       <xsd:element name="collaborationgraph" type="graphType" minOccurs="0" />
       <xsd:element name="programlisting" type="listingType" minOccurs="0" />
+      <xsd:element name="satisfies" type="requirementRefsType" minOccurs="0" maxOccurs="1" />
+      <xsd:element name="verifies" type="requirementRefsType" minOccurs="0" maxOccurs="1" />
       <xsd:element name="location" type="locationType" minOccurs="0" />
       <xsd:element name="listofallmembers" type="listofallmembersType" minOccurs="0" />
     </xsd:sequence>
@@ -43,6 +55,7 @@
     <xsd:attribute name="language" type="DoxLanguage" use="optional"/>
     <xsd:attribute name="prot" type="DoxProtectionKind" />
     <xsd:attribute name="final" type="DoxBool" use="optional"/>
+    <xsd:attribute name="inline" type="DoxBool" use="optional"/>
     <xsd:attribute name="sealed" type="DoxBool" use="optional"/>
     <xsd:attribute name="abstract" type="DoxBool" use="optional"/>
   </xsd:complexType>
@@ -55,8 +68,8 @@
 
   <xsd:complexType name="memberRefType">
     <xsd:sequence>
-      <xsd:element name="scope" />
-      <xsd:element name="name" />
+      <xsd:element name="scope" type="xsd:string" />
+      <xsd:element name="name" type="xsd:string" />
     </xsd:sequence>
     <xsd:attribute name="refid" type="xsd:string" />
     <xsd:attribute name="prot" type="DoxProtectionKind" />
@@ -93,17 +106,32 @@
   <xsd:complexType name="incType">
     <xsd:simpleContent>
       <xsd:extension base="xsd:string">
-        <xsd:attribute name="refid" type="xsd:string" />
+        <xsd:attribute name="refid" type="xsd:string" use="optional" />
         <xsd:attribute name="local" type="DoxBool" />
       </xsd:extension>
     </xsd:simpleContent>
   </xsd:complexType>
 
+  <xsd:complexType name="exportsType">
+    <xsd:sequence>
+      <xsd:element name="export" type="exportType" maxOccurs="unbounded"/>
+    </xsd:sequence>
+  </xsd:complexType>
+
+  <xsd:complexType name="exportType">
+    <xsd:simpleContent>
+      <xsd:extension base="xsd:string">
+        <xsd:attribute name="refid" type="xsd:string" use="optional" />
+      </xsd:extension>
+    </xsd:simpleContent>
+  </xsd:complexType>
+
   <xsd:complexType name="refType">
     <xsd:simpleContent>
       <xsd:extension base="xsd:string">
         <xsd:attribute name="refid" type="xsd:string" />
         <xsd:attribute name="prot" type="DoxProtectionKind" use="optional"/>
+        <xsd:attribute name="inline" type="DoxBool" use="optional"/>
       </xsd:extension>
     </xsd:simpleContent>
   </xsd:complexType>
@@ -119,11 +147,40 @@
     </xsd:simpleContent>
   </xsd:complexType>
 
+  <xsd:simpleType name="MemberKind">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="define"/>
+      <xsd:enumeration value="property"/>
+      <xsd:enumeration value="event"/>
+      <xsd:enumeration value="variable"/>
+      <xsd:enumeration value="typedef"/>
+      <xsd:enumeration value="enum"/>
+      <xsd:enumeration value="enumvalue"/>
+      <xsd:enumeration value="function"/>
+      <xsd:enumeration value="signal"/>
+      <xsd:enumeration value="prototype"/>
+      <xsd:enumeration value="friend"/>
+      <xsd:enumeration value="dcop"/>
+      <xsd:enumeration value="slot"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:complexType name="MemberType">
+    <xsd:sequence>
+      <xsd:element name="name" type="xsd:string"/>
+    </xsd:sequence>
+    <xsd:attribute name="refid" type="xsd:string" use="required"/>
+    <xsd:attribute name="kind" type="MemberKind" use="required"/>
+  </xsd:complexType>
+
   <xsd:complexType name="sectiondefType">
     <xsd:sequence>
       <xsd:element name="header" type="xsd:string" minOccurs="0" />
       <xsd:element name="description" type="descriptionType" minOccurs="0" />
-      <xsd:element name="memberdef" type="memberdefType" maxOccurs="unbounded" />
+      <xsd:choice maxOccurs="unbounded">
+        <xsd:element name="memberdef" type="memberdefType" minOccurs="0" maxOccurs="unbounded" />
+        <xsd:element name="member" type="MemberType" minOccurs="0" maxOccurs="unbounded" />
+      </xsd:choice>
     </xsd:sequence>
     <xsd:attribute name="kind" type="DoxSectionKind" />
   </xsd:complexType>
@@ -132,18 +189,23 @@
     <xsd:sequence>
       <xsd:element name="templateparamlist" type="templateparamlistType" minOccurs="0" />
       <xsd:element name="type" type="linkedTextType" minOccurs="0" />
-      <xsd:element name="definition" minOccurs="0" />
-      <xsd:element name="argsstring" minOccurs="0" />
-      <xsd:element name="name" />
-      <xsd:element name="read" minOccurs="0" />
-      <xsd:element name="write" minOccurs="0" />
-      <xsd:element name="bitfield" minOccurs="0" />
+      <xsd:element name="definition" type="xsd:string" minOccurs="0" />
+      <xsd:element name="argsstring" type="xsd:string" minOccurs="0" />
+      <xsd:element name="name" type="xsd:string" />
+      <xsd:element name="qualifiedname" type="xsd:string" minOccurs="0"/>
+      <xsd:element name="read" type="xsd:string" minOccurs="0" />
+      <xsd:element name="write" type="xsd:string" minOccurs="0" />
+      <xsd:element name="bitfield" type="xsd:string" minOccurs="0" />
       <xsd:element name="reimplements" type="reimplementType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="reimplementedby" type="reimplementType" minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="qualifier" type="xsd:string" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="param" type="paramType" minOccurs="0" maxOccurs="unbounded" />
       <xsd:element name="enumvalue" type="enumvalueType" minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="requiresclause" type="linkedTextType" minOccurs="0" />
       <xsd:element name="initializer" type="linkedTextType" minOccurs="0" />
       <xsd:element name="exceptions" type="linkedTextType" minOccurs="0" />
+      <xsd:element name="satisfies" type="requirementRefsType" minOccurs="0" maxOccurs="1" />
+      <xsd:element name="verifies" type="requirementRefsType" minOccurs="0" maxOccurs="1" />
       <xsd:element name="briefdescription" type="descriptionType" minOccurs="0" />
       <xsd:element name="detaileddescription" type="descriptionType" minOccurs="0" />
       <xsd:element name="inbodydescription" type="descriptionType" minOccurs="0" />
@@ -155,6 +217,7 @@
     <xsd:attribute name="id" type="xsd:string" />
     <xsd:attribute name="prot" type="DoxProtectionKind" />
     <xsd:attribute name="static" type="DoxBool" />
+    <xsd:attribute name="extern" type="DoxBool" use="optional" />
     <xsd:attribute name="strong" type="DoxBool" use="optional"/>
     <xsd:attribute name="const" type="DoxBool" use="optional"/>
     <xsd:attribute name="explicit" type="DoxBool" use="optional"/>
@@ -163,8 +226,13 @@
     <xsd:attribute name="virt" type="DoxVirtualKind" use="optional"/>
     <xsd:attribute name="volatile" type="DoxBool" use="optional"/>
     <xsd:attribute name="mutable" type="DoxBool" use="optional"/>
+    <xsd:attribute name="thread_local" type="DoxBool" use="optional"/>
     <xsd:attribute name="noexcept" type="DoxBool" use="optional"/>
+    <xsd:attribute name="noexceptexpression" type="xsd:string" use="optional"/>
+    <xsd:attribute name="nodiscard" type="DoxBool" use="optional"/>
     <xsd:attribute name="constexpr" type="DoxBool" use="optional"/>
+    <xsd:attribute name="consteval" type="DoxBool" use="optional"/>
+    <xsd:attribute name="constinit" type="DoxBool" use="optional"/>
     <!-- Qt property -->
     <xsd:attribute name="readable" type="DoxBool" use="optional"/>
     <xsd:attribute name="writable" type="DoxBool" use="optional"/>
@@ -213,9 +281,9 @@
     </xsd:sequence>
   </xsd:complexType>
 
-  <xsd:complexType name="enumvalueType" mixed="true">
+  <xsd:complexType name="enumvalueType">
     <xsd:sequence>
-      <xsd:element name="name" />
+      <xsd:element name="name" type="xsd:string" />
       <xsd:element name="initializer" type="linkedTextType" minOccurs="0" />
       <xsd:element name="briefdescription" type="descriptionType" minOccurs="0" />
       <xsd:element name="detaileddescription" type="descriptionType" minOccurs="0" />
@@ -230,13 +298,38 @@
     </xsd:sequence>
   </xsd:complexType>
 
+  <xsd:complexType name="conceptParts">
+    <xsd:sequence>
+      <xsd:choice minOccurs="0" maxOccurs="unbounded">
+        <xsd:element name="codepart" type="conceptCodePart"/>
+        <xsd:element name="docpart" type="conceptDocPart"/>
+      </xsd:choice>
+    </xsd:sequence>
+  </xsd:complexType>
+
+  <xsd:complexType name="conceptCodePart">
+    <xsd:sequence>
+      <xsd:element name="programlisting" type="listingType"/>
+    </xsd:sequence>
+    <xsd:attribute name="line" type="xsd:integer"/>
+  </xsd:complexType>
+
+  <xsd:complexType name="conceptDocPart">
+    <xsd:complexContent>
+      <xsd:extension base="descriptionType">
+        <xsd:attribute name="line" type="xsd:integer"/>
+        <xsd:attribute name="col" type="xsd:integer"/>
+      </xsd:extension>
+    </xsd:complexContent>
+  </xsd:complexType>
+
   <xsd:complexType name="paramType">
     <xsd:sequence>
-      <xsd:element name="attributes" minOccurs="0" />
+      <xsd:element name="attributes" type="xsd:string" minOccurs="0" />
       <xsd:element name="type" type="linkedTextType" minOccurs="0" />
-      <xsd:element name="declname" minOccurs="0" />
-      <xsd:element name="defname" minOccurs="0" />
-      <xsd:element name="array" minOccurs="0" />
+      <xsd:element name="declname" type="xsd:string" minOccurs="0" />
+      <xsd:element name="defname" type="xsd:string" minOccurs="0" />
+      <xsd:element name="array" type="xsd:string" minOccurs="0" />
       <xsd:element name="defval" type="linkedTextType" minOccurs="0" />
       <xsd:element name="typeconstraint" type="linkedTextType" minOccurs="0" />
       <xsd:element name="briefdescription" type="descriptionType" minOccurs="0" />
@@ -257,7 +350,7 @@
 
   <xsd:complexType name="nodeType">
     <xsd:sequence>
-      <xsd:element name="label" />
+      <xsd:element name="label" type="xsd:string" />
       <xsd:element name="link" type="linkType" minOccurs="0" />
       <xsd:element name="childnode" type="childnodeType" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
@@ -266,7 +359,7 @@
 
   <xsd:complexType name="childnodeType">
     <xsd:sequence>
-      <xsd:element name="edgelabel" minOccurs="0" maxOccurs="unbounded"/>
+      <xsd:element name="edgelabel" type="xsd:string" minOccurs="0" maxOccurs="unbounded"/>
     </xsd:sequence>
     <xsd:attribute name="refid" type="xsd:string" />
     <xsd:attribute name="relation" type="DoxGraphRelation" />
@@ -327,7 +420,7 @@
 
   <xsd:complexType name="docSect1Type" mixed="true">
     <xsd:sequence>
-      <xsd:element name="title" type="xsd:string" minOccurs="0" />
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
       <xsd:choice maxOccurs="unbounded">
         <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
         <xsd:element name="internal" type="docInternalS1Type" minOccurs="0"  maxOccurs="unbounded" />
@@ -339,7 +432,7 @@
 
   <xsd:complexType name="docSect2Type" mixed="true">
     <xsd:sequence>
-      <xsd:element name="title" type="xsd:string" />
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
       <xsd:choice maxOccurs="unbounded">
         <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
         <xsd:element name="sect3" type="docSect3Type" minOccurs="0" maxOccurs="unbounded" />
@@ -351,7 +444,7 @@
 
   <xsd:complexType name="docSect3Type" mixed="true">
     <xsd:sequence>
-      <xsd:element name="title" type="xsd:string" />
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
       <xsd:choice maxOccurs="unbounded">
         <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
         <xsd:element name="sect4" type="docSect4Type" minOccurs="0" maxOccurs="unbounded" />
@@ -363,15 +456,39 @@
 
   <xsd:complexType name="docSect4Type" mixed="true">
     <xsd:sequence>
-      <xsd:element name="title" type="xsd:string" />
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
       <xsd:choice maxOccurs="unbounded">
         <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
+        <xsd:element name="sect5" type="docSect5Type" minOccurs="0" maxOccurs="unbounded" />
         <xsd:element name="internal" type="docInternalS4Type" minOccurs="0" />
       </xsd:choice>
     </xsd:sequence>
     <xsd:attribute name="id" type="xsd:string" />
   </xsd:complexType>
 
+  <xsd:complexType name="docSect5Type" mixed="true">
+    <xsd:sequence>
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
+      <xsd:choice maxOccurs="unbounded">
+        <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
+        <xsd:element name="sect6" type="docSect6Type" minOccurs="0" maxOccurs="unbounded" />
+        <xsd:element name="internal" type="docInternalS5Type" minOccurs="0" />
+      </xsd:choice>
+    </xsd:sequence>
+    <xsd:attribute name="id" type="xsd:string" />
+  </xsd:complexType>
+
+  <xsd:complexType name="docSect6Type" mixed="true">
+    <xsd:sequence>
+      <xsd:element name="title" type="docTitleType" minOccurs="0" />
+      <xsd:choice maxOccurs="unbounded">
+        <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
+        <xsd:element name="internal" type="docInternalS6Type" minOccurs="0" />
+      </xsd:choice>
+    </xsd:sequence>
+    <xsd:attribute name="id" type="xsd:string" />
+  </xsd:complexType>
+
   <xsd:complexType name="docInternalType" mixed="true">
     <xsd:sequence>
       <xsd:element name="para"  type="docParaType"  minOccurs="0" maxOccurs="unbounded" />
@@ -396,16 +513,30 @@
   <xsd:complexType name="docInternalS3Type" mixed="true">
     <xsd:sequence>
       <xsd:element name="para"  type="docParaType"  minOccurs="0" maxOccurs="unbounded" />
-      <xsd:element name="sect3" type="docSect4Type" minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="sect4" type="docSect4Type" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
   </xsd:complexType>
 
   <xsd:complexType name="docInternalS4Type" mixed="true">
     <xsd:sequence>
       <xsd:element name="para"  type="docParaType"  minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="sect5" type="docSect5Type" minOccurs="0" maxOccurs="unbounded" />
+    </xsd:sequence>
+  </xsd:complexType>
+
+  <xsd:complexType name="docInternalS5Type" mixed="true">
+    <xsd:sequence>
+      <xsd:element name="para"  type="docParaType"  minOccurs="0" maxOccurs="unbounded" />
+      <xsd:element name="sect6" type="docSect6Type" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
   </xsd:complexType>
- 
+
+  <xsd:complexType name="docInternalS6Type" mixed="true">
+    <xsd:sequence>
+      <xsd:element name="para"  type="docParaType"  minOccurs="0" maxOccurs="unbounded" />
+    </xsd:sequence>
+  </xsd:complexType>
+
   <xsd:group name="docTitleCmdGroup">
     <xsd:choice>
       <xsd:element name="ulink" type="docURLLink" />
@@ -419,6 +550,7 @@
       <xsd:element name="superscript" type="docMarkupType" />
       <xsd:element name="center" type="docMarkupType" />
       <xsd:element name="small" type="docMarkupType" />
+      <xsd:element name="cite" type="docMarkupType" />
       <xsd:element name="del" type="docMarkupType" />
       <xsd:element name="ins" type="docMarkupType" />
       <xsd:element name="htmlonly" type="docHtmlOnlyType" />
@@ -426,10 +558,11 @@
       <xsd:element name="xmlonly" type="xsd:string" />
       <xsd:element name="rtfonly" type="xsd:string" />
       <xsd:element name="latexonly" type="xsd:string" />
+      <xsd:element name="docbookonly" type="xsd:string" />
       <xsd:element name="image" type="docImageType" />
-      <xsd:element name="dot" type="docImageType" />
-      <xsd:element name="msc" type="docImageType" />
-      <xsd:element name="plantuml" type="docImageType" />
+      <xsd:element name="dot" type="docDotMscType" />
+      <xsd:element name="msc" type="docDotMscType" />
+      <xsd:element name="plantuml" type="docPlantumlType" />
       <xsd:element name="anchor" type="docAnchorType" />
       <xsd:element name="formula" type="docFormulaType" />
       <xsd:element name="ref" type="docRefTextType" />
@@ -691,14 +824,300 @@
     <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
   </xsd:complexType>
 
+  <xsd:complexType name="docSummaryType" mixed="true">
+    <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
+  </xsd:complexType>
+
   <xsd:group name="docCmdGroup">
     <xsd:choice>
-      <xsd:group ref="docTitleCmdGroup"/>
+      <!-- start workaround for xsd.exe
+        <xsd:group ref="docTitleCmdGroup"/>
+      -->
+      <xsd:element name="ulink" type="docURLLink" />
+      <xsd:element name="bold" type="docMarkupType" />
+      <xsd:element name="s" type="docMarkupType" />
+      <xsd:element name="strike" type="docMarkupType" />
+      <xsd:element name="underline" type="docMarkupType" />
+      <xsd:element name="emphasis" type="docMarkupType" />
+      <xsd:element name="computeroutput" type="docMarkupType" />
+      <xsd:element name="subscript" type="docMarkupType" />
+      <xsd:element name="superscript" type="docMarkupType" />
+      <xsd:element name="center" type="docMarkupType" />
+      <xsd:element name="small" type="docMarkupType" />
+      <xsd:element name="cite" type="docMarkupType" />
+      <xsd:element name="del" type="docMarkupType" />
+      <xsd:element name="ins" type="docMarkupType" />
+      <xsd:element name="htmlonly" type="docHtmlOnlyType" />
+      <xsd:element name="manonly" type="xsd:string" />
+      <xsd:element name="xmlonly" type="xsd:string" />
+      <xsd:element name="rtfonly" type="xsd:string" />
+      <xsd:element name="latexonly" type="xsd:string" />
+      <xsd:element name="docbookonly" type="xsd:string" />
+      <xsd:element name="image" type="docImageType" />
+      <xsd:element name="dot" type="docDotMscType" />
+      <xsd:element name="msc" type="docDotMscType" />
+      <xsd:element name="plantuml" type="docPlantumlType" />
+      <xsd:element name="anchor" type="docAnchorType" />
+      <xsd:element name="formula" type="docFormulaType" />
+      <xsd:element name="ref" type="docRefTextType" />
+      <xsd:element name="emoji" type="docEmojiType" />
       <xsd:element name="linebreak" type="docEmptyType" />
+      <xsd:element name="nonbreakablespace" type="docEmptyType" />
+      <xsd:element name="iexcl" type="docEmptyType" />
+      <xsd:element name="cent" type="docEmptyType" />
+      <xsd:element name="pound" type="docEmptyType" />
+      <xsd:element name="curren" type="docEmptyType" />
+      <xsd:element name="yen" type="docEmptyType" />
+      <xsd:element name="brvbar" type="docEmptyType" />
+      <xsd:element name="sect" type="docEmptyType" />
+      <xsd:element name="umlaut" type="docEmptyType" />
+      <xsd:element name="copy" type="docEmptyType" />
+      <xsd:element name="ordf" type="docEmptyType" />
+      <xsd:element name="laquo" type="docEmptyType" />
+      <xsd:element name="not" type="docEmptyType" />
+      <xsd:element name="shy" type="docEmptyType" />
+      <xsd:element name="registered" type="docEmptyType" />
+      <xsd:element name="macr" type="docEmptyType" />
+      <xsd:element name="deg" type="docEmptyType" />
+      <xsd:element name="plusmn" type="docEmptyType" />
+      <xsd:element name="sup2" type="docEmptyType" />
+      <xsd:element name="sup3" type="docEmptyType" />
+      <xsd:element name="acute" type="docEmptyType" />
+      <xsd:element name="micro" type="docEmptyType" />
+      <xsd:element name="para" type="docEmptyType" />
+      <xsd:element name="middot" type="docEmptyType" />
+      <xsd:element name="cedil" type="docEmptyType" />
+      <xsd:element name="sup1" type="docEmptyType" />
+      <xsd:element name="ordm" type="docEmptyType" />
+      <xsd:element name="raquo" type="docEmptyType" />
+      <xsd:element name="frac14" type="docEmptyType" />
+      <xsd:element name="frac12" type="docEmptyType" />
+      <xsd:element name="frac34" type="docEmptyType" />
+      <xsd:element name="iquest" type="docEmptyType" />
+      <xsd:element name="Agrave" type="docEmptyType" />
+      <xsd:element name="Aacute" type="docEmptyType" />
+      <xsd:element name="Acirc" type="docEmptyType" />
+      <xsd:element name="Atilde" type="docEmptyType" />
+      <xsd:element name="Aumlaut" type="docEmptyType" />
+      <xsd:element name="Aring" type="docEmptyType" />
+      <xsd:element name="AElig" type="docEmptyType" />
+      <xsd:element name="Ccedil" type="docEmptyType" />
+      <xsd:element name="Egrave" type="docEmptyType" />
+      <xsd:element name="Eacute" type="docEmptyType" />
+      <xsd:element name="Ecirc" type="docEmptyType" />
+      <xsd:element name="Eumlaut" type="docEmptyType" />
+      <xsd:element name="Igrave" type="docEmptyType" />
+      <xsd:element name="Iacute" type="docEmptyType" />
+      <xsd:element name="Icirc" type="docEmptyType" />
+      <xsd:element name="Iumlaut" type="docEmptyType" />
+      <xsd:element name="ETH" type="docEmptyType" />
+      <xsd:element name="Ntilde" type="docEmptyType" />
+      <xsd:element name="Ograve" type="docEmptyType" />
+      <xsd:element name="Oacute" type="docEmptyType" />
+      <xsd:element name="Ocirc" type="docEmptyType" />
+      <xsd:element name="Otilde" type="docEmptyType" />
+      <xsd:element name="Oumlaut" type="docEmptyType" />
+      <xsd:element name="times" type="docEmptyType" />
+      <xsd:element name="Oslash" type="docEmptyType" />
+      <xsd:element name="Ugrave" type="docEmptyType" />
+      <xsd:element name="Uacute" type="docEmptyType" />
+      <xsd:element name="Ucirc" type="docEmptyType" />
+      <xsd:element name="Uumlaut" type="docEmptyType" />
+      <xsd:element name="Yacute" type="docEmptyType" />
+      <xsd:element name="THORN" type="docEmptyType" />
+      <xsd:element name="szlig" type="docEmptyType" />
+      <xsd:element name="agrave" type="docEmptyType" />
+      <xsd:element name="aacute" type="docEmptyType" />
+      <xsd:element name="acirc" type="docEmptyType" />
+      <xsd:element name="atilde" type="docEmptyType" />
+      <xsd:element name="aumlaut" type="docEmptyType" />
+      <xsd:element name="aring" type="docEmptyType" />
+      <xsd:element name="aelig" type="docEmptyType" />
+      <xsd:element name="ccedil" type="docEmptyType" />
+      <xsd:element name="egrave" type="docEmptyType" />
+      <xsd:element name="eacute" type="docEmptyType" />
+      <xsd:element name="ecirc" type="docEmptyType" />
+      <xsd:element name="eumlaut" type="docEmptyType" />
+      <xsd:element name="igrave" type="docEmptyType" />
+      <xsd:element name="iacute" type="docEmptyType" />
+      <xsd:element name="icirc" type="docEmptyType" />
+      <xsd:element name="iumlaut" type="docEmptyType" />
+      <xsd:element name="eth" type="docEmptyType" />
+      <xsd:element name="ntilde" type="docEmptyType" />
+      <xsd:element name="ograve" type="docEmptyType" />
+      <xsd:element name="oacute" type="docEmptyType" />
+      <xsd:element name="ocirc" type="docEmptyType" />
+      <xsd:element name="otilde" type="docEmptyType" />
+      <xsd:element name="oumlaut" type="docEmptyType" />
+      <xsd:element name="divide" type="docEmptyType" />
+      <xsd:element name="oslash" type="docEmptyType" />
+      <xsd:element name="ugrave" type="docEmptyType" />
+      <xsd:element name="uacute" type="docEmptyType" />
+      <xsd:element name="ucirc" type="docEmptyType" />
+      <xsd:element name="uumlaut" type="docEmptyType" />
+      <xsd:element name="yacute" type="docEmptyType" />
+      <xsd:element name="thorn" type="docEmptyType" />
+      <xsd:element name="yumlaut" type="docEmptyType" />
+      <xsd:element name="fnof" type="docEmptyType" />
+      <xsd:element name="Alpha" type="docEmptyType" />
+      <xsd:element name="Beta" type="docEmptyType" />
+      <xsd:element name="Gamma" type="docEmptyType" />
+      <xsd:element name="Delta" type="docEmptyType" />
+      <xsd:element name="Epsilon" type="docEmptyType" />
+      <xsd:element name="Zeta" type="docEmptyType" />
+      <xsd:element name="Eta" type="docEmptyType" />
+      <xsd:element name="Theta" type="docEmptyType" />
+      <xsd:element name="Iota" type="docEmptyType" />
+      <xsd:element name="Kappa" type="docEmptyType" />
+      <xsd:element name="Lambda" type="docEmptyType" />
+      <xsd:element name="Mu" type="docEmptyType" />
+      <xsd:element name="Nu" type="docEmptyType" />
+      <xsd:element name="Xi" type="docEmptyType" />
+      <xsd:element name="Omicron" type="docEmptyType" />
+      <xsd:element name="Pi" type="docEmptyType" />
+      <xsd:element name="Rho" type="docEmptyType" />
+      <xsd:element name="Sigma" type="docEmptyType" />
+      <xsd:element name="Tau" type="docEmptyType" />
+      <xsd:element name="Upsilon" type="docEmptyType" />
+      <xsd:element name="Phi" type="docEmptyType" />
+      <xsd:element name="Chi" type="docEmptyType" />
+      <xsd:element name="Psi" type="docEmptyType" />
+      <xsd:element name="Omega" type="docEmptyType" />
+      <xsd:element name="alpha" type="docEmptyType" />
+      <xsd:element name="beta" type="docEmptyType" />
+      <xsd:element name="gamma" type="docEmptyType" />
+      <xsd:element name="delta" type="docEmptyType" />
+      <xsd:element name="epsilon" type="docEmptyType" />
+      <xsd:element name="zeta" type="docEmptyType" />
+      <xsd:element name="eta" type="docEmptyType" />
+      <xsd:element name="theta" type="docEmptyType" />
+      <xsd:element name="iota" type="docEmptyType" />
+      <xsd:element name="kappa" type="docEmptyType" />
+      <xsd:element name="lambda" type="docEmptyType" />
+      <xsd:element name="mu" type="docEmptyType" />
+      <xsd:element name="nu" type="docEmptyType" />
+      <xsd:element name="xi" type="docEmptyType" />
+      <xsd:element name="omicron" type="docEmptyType" />
+      <xsd:element name="pi" type="docEmptyType" />
+      <xsd:element name="rho" type="docEmptyType" />
+      <xsd:element name="sigmaf" type="docEmptyType" />
+      <xsd:element name="sigma" type="docEmptyType" />
+      <xsd:element name="tau" type="docEmptyType" />
+      <xsd:element name="upsilon" type="docEmptyType" />
+      <xsd:element name="phi" type="docEmptyType" />
+      <xsd:element name="chi" type="docEmptyType" />
+      <xsd:element name="psi" type="docEmptyType" />
+      <xsd:element name="omega" type="docEmptyType" />
+      <xsd:element name="thetasym" type="docEmptyType" />
+      <xsd:element name="upsih" type="docEmptyType" />
+      <xsd:element name="piv" type="docEmptyType" />
+      <xsd:element name="bull" type="docEmptyType" />
+      <xsd:element name="hellip" type="docEmptyType" />
+      <xsd:element name="prime" type="docEmptyType" />
+      <xsd:element name="Prime" type="docEmptyType" />
+      <xsd:element name="oline" type="docEmptyType" />
+      <xsd:element name="frasl" type="docEmptyType" />
+      <xsd:element name="weierp" type="docEmptyType" />
+      <xsd:element name="imaginary" type="docEmptyType" />
+      <xsd:element name="real" type="docEmptyType" />
+      <xsd:element name="trademark" type="docEmptyType" />
+      <xsd:element name="alefsym" type="docEmptyType" />
+      <xsd:element name="larr" type="docEmptyType" />
+      <xsd:element name="uarr" type="docEmptyType" />
+      <xsd:element name="rarr" type="docEmptyType" />
+      <xsd:element name="darr" type="docEmptyType" />
+      <xsd:element name="harr" type="docEmptyType" />
+      <xsd:element name="crarr" type="docEmptyType" />
+      <xsd:element name="lArr" type="docEmptyType" />
+      <xsd:element name="uArr" type="docEmptyType" />
+      <xsd:element name="rArr" type="docEmptyType" />
+      <xsd:element name="dArr" type="docEmptyType" />
+      <xsd:element name="hArr" type="docEmptyType" />
+      <xsd:element name="forall" type="docEmptyType" />
+      <xsd:element name="part" type="docEmptyType" />
+      <xsd:element name="exist" type="docEmptyType" />
+      <xsd:element name="empty" type="docEmptyType" />
+      <xsd:element name="nabla" type="docEmptyType" />
+      <xsd:element name="isin" type="docEmptyType" />
+      <xsd:element name="notin" type="docEmptyType" />
+      <xsd:element name="ni" type="docEmptyType" />
+      <xsd:element name="prod" type="docEmptyType" />
+      <xsd:element name="sum" type="docEmptyType" />
+      <xsd:element name="minus" type="docEmptyType" />
+      <xsd:element name="lowast" type="docEmptyType" />
+      <xsd:element name="radic" type="docEmptyType" />
+      <xsd:element name="prop" type="docEmptyType" />
+      <xsd:element name="infin" type="docEmptyType" />
+      <xsd:element name="ang" type="docEmptyType" />
+      <xsd:element name="and" type="docEmptyType" />
+      <xsd:element name="or" type="docEmptyType" />
+      <xsd:element name="cap" type="docEmptyType" />
+      <xsd:element name="cup" type="docEmptyType" />
+      <xsd:element name="int" type="docEmptyType" />
+      <xsd:element name="there4" type="docEmptyType" />
+      <xsd:element name="sim" type="docEmptyType" />
+      <xsd:element name="cong" type="docEmptyType" />
+      <xsd:element name="asymp" type="docEmptyType" />
+      <xsd:element name="ne" type="docEmptyType" />
+      <xsd:element name="equiv" type="docEmptyType" />
+      <xsd:element name="le" type="docEmptyType" />
+      <xsd:element name="ge" type="docEmptyType" />
+      <xsd:element name="sub" type="docEmptyType" />
+      <xsd:element name="sup" type="docEmptyType" />
+      <xsd:element name="nsub" type="docEmptyType" />
+      <xsd:element name="sube" type="docEmptyType" />
+      <xsd:element name="supe" type="docEmptyType" />
+      <xsd:element name="oplus" type="docEmptyType" />
+      <xsd:element name="otimes" type="docEmptyType" />
+      <xsd:element name="perp" type="docEmptyType" />
+      <xsd:element name="sdot" type="docEmptyType" />
+      <xsd:element name="lceil" type="docEmptyType" />
+      <xsd:element name="rceil" type="docEmptyType" />
+      <xsd:element name="lfloor" type="docEmptyType" />
+      <xsd:element name="rfloor" type="docEmptyType" />
+      <xsd:element name="lang" type="docEmptyType" />
+      <xsd:element name="rang" type="docEmptyType" />
+      <xsd:element name="loz" type="docEmptyType" />
+      <xsd:element name="spades" type="docEmptyType" />
+      <xsd:element name="clubs" type="docEmptyType" />
+      <xsd:element name="hearts" type="docEmptyType" />
+      <xsd:element name="diams" type="docEmptyType" />
+      <xsd:element name="OElig" type="docEmptyType" />
+      <xsd:element name="oelig" type="docEmptyType" />
+      <xsd:element name="Scaron" type="docEmptyType" />
+      <xsd:element name="scaron" type="docEmptyType" />
+      <xsd:element name="Yumlaut" type="docEmptyType" />
+      <xsd:element name="circ" type="docEmptyType" />
+      <xsd:element name="tilde" type="docEmptyType" />
+      <xsd:element name="ensp" type="docEmptyType" />
+      <xsd:element name="emsp" type="docEmptyType" />
+      <xsd:element name="thinsp" type="docEmptyType" />
+      <xsd:element name="zwnj" type="docEmptyType" />
+      <xsd:element name="zwj" type="docEmptyType" />
+      <xsd:element name="lrm" type="docEmptyType" />
+      <xsd:element name="rlm" type="docEmptyType" />
+      <xsd:element name="ndash" type="docEmptyType" />
+      <xsd:element name="mdash" type="docEmptyType" />
+      <xsd:element name="lsquo" type="docEmptyType" />
+      <xsd:element name="rsquo" type="docEmptyType" />
+      <xsd:element name="sbquo" type="docEmptyType" />
+      <xsd:element name="ldquo" type="docEmptyType" />
+      <xsd:element name="rdquo" type="docEmptyType" />
+      <xsd:element name="bdquo" type="docEmptyType" />
+      <xsd:element name="dagger" type="docEmptyType" />
+      <xsd:element name="Dagger" type="docEmptyType" />
+      <xsd:element name="permil" type="docEmptyType" />
+      <xsd:element name="lsaquo" type="docEmptyType" />
+      <xsd:element name="rsaquo" type="docEmptyType" />
+      <xsd:element name="euro" type="docEmptyType" />
+      <xsd:element name="tm" type="docEmptyType" />
+      <!-- end workaround for xsd.exe -->
       <xsd:element name="hruler" type="docEmptyType" />
       <xsd:element name="preformatted" type="docMarkupType" />
       <xsd:element name="programlisting" type="listingType" />
       <xsd:element name="verbatim" type="xsd:string" />
+      <xsd:element name="javadocliteral" type="xsd:string" />
+      <xsd:element name="javadoccode" type="xsd:string" />
       <xsd:element name="indexentry" type="docIndexEntryType" />
       <xsd:element name="orderedlist" type="docListType" />
       <xsd:element name="itemizedlist" type="docListType" />
@@ -707,15 +1126,16 @@
       <xsd:element name="variablelist" type="docVariableListType" />
       <xsd:element name="table" type="docTableType" />
       <xsd:element name="heading" type="docHeadingType" />
-      <xsd:element name="image" type="docImageType" />
-      <xsd:element name="dotfile" type="docImageType" />
-      <xsd:element name="mscfile" type="docImageType" />
-      <xsd:element name="diafile" type="docImageType" />
+      <xsd:element name="dotfile" type="docImageFileType" />
+      <xsd:element name="mscfile" type="docImageFileType" />
+      <xsd:element name="diafile" type="docImageFileType" />
+      <xsd:element name="plantumlfile" type="docImageFileType" />
       <xsd:element name="toclist" type="docTocListType" />
       <xsd:element name="language" type="docLanguageType" />
       <xsd:element name="parameterlist" type="docParamListType" />
       <xsd:element name="xrefsect" type="docXRefSectType" />
       <xsd:element name="copydoc" type="docCopyType" />
+      <xsd:element name="details" type="docDetailsType" />
       <xsd:element name="blockquote" type="docBlockQuoteType" />
       <xsd:element name="parblock" type="docParBlockType" />
     </xsd:choice>
@@ -753,12 +1173,16 @@
     <xsd:sequence>
       <xsd:element name="listitem" type="docListItemType" maxOccurs="unbounded" />
     </xsd:sequence>
+    <xsd:attribute name="type" type="DoxOlType" />
+    <xsd:attribute name="start" type="xsd:integer" />
   </xsd:complexType>
 
   <xsd:complexType name="docListItemType">
     <xsd:sequence>
       <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
+    <xsd:attribute name="override" type="DoxCheck" />
+    <xsd:attribute name="value" type="xsd:integer" use="optional"/>
   </xsd:complexType>
 
   <xsd:complexType name="docSimpleSectType">
@@ -804,6 +1228,7 @@
     </xsd:sequence>
     <xsd:attribute name="rows" type="xsd:integer" />
     <xsd:attribute name="cols" type="xsd:integer" />
+    <xsd:attribute name="width" type="xsd:string" />
   </xsd:complexType>
 
   <xsd:complexType name="docRowType">
@@ -817,15 +1242,30 @@
       <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
     <xsd:attribute name="thead" type="DoxBool" />
+    <xsd:attribute name="colspan" type="xsd:integer" />
+    <xsd:attribute name="rowspan" type="xsd:integer" />
+    <xsd:attribute name="align" type="DoxAlign" />
+    <xsd:attribute name="valign" type="DoxVerticalAlign" />
+    <xsd:attribute name="width" type="xsd:string" />
+    <xsd:attribute name="class" type="xsd:string" />
+    <xsd:anyAttribute processContents="skip"/>
   </xsd:complexType>
 
   <xsd:complexType name="docCaptionType" mixed="true">
     <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
+    <xsd:attribute name="id" type="xsd:string" /> 
   </xsd:complexType>
 
+  <xsd:simpleType name="range_1_6">
+    <xsd:restriction base="xsd:integer">
+      <xsd:minInclusive value="1"/>
+      <xsd:maxInclusive value="6"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
   <xsd:complexType name="docHeadingType" mixed="true">
     <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
-    <xsd:attribute name="level" type="xsd:integer" /> <!-- todo: range 1-6 -->
+    <xsd:attribute name="level" type="range_1_6" />
   </xsd:complexType>
 
   <xsd:complexType name="docImageType" mixed="true">
@@ -834,10 +1274,39 @@
     <xsd:attribute name="name" type="xsd:string" use="optional"/>
     <xsd:attribute name="width" type="xsd:string" use="optional"/>
     <xsd:attribute name="height" type="xsd:string" use="optional"/>
+    <xsd:attribute name="alt" type="xsd:string" use="optional"/>
     <xsd:attribute name="inline" type="DoxBool" use="optional"/>
     <xsd:attribute name="caption" type="xsd:string" use="optional"/>
   </xsd:complexType>
 
+  <xsd:complexType name="docDotMscType" mixed="true">
+    <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
+    <xsd:attribute name="name" type="xsd:string" use="optional"/>
+    <xsd:attribute name="width" type="xsd:string" use="optional"/>
+    <xsd:attribute name="height" type="xsd:string" use="optional"/>
+    <xsd:attribute name="caption" type="xsd:string" use="optional"/>
+  </xsd:complexType>
+
+  <xsd:complexType name="docImageFileType" mixed="true">
+    <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
+    <xsd:attribute name="name" type="xsd:string" use="optional">
+      <xsd:annotation>
+        <xsd:documentation>The mentioned file will be located in the directory as specified by XML_OUTPUT</xsd:documentation>
+      </xsd:annotation>
+    </xsd:attribute>
+    <xsd:attribute name="width" type="xsd:string" use="optional"/>
+    <xsd:attribute name="height" type="xsd:string" use="optional"/>
+  </xsd:complexType>
+
+  <xsd:complexType name="docPlantumlType" mixed="true">
+    <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
+    <xsd:attribute name="name" type="xsd:string" use="optional"/>
+    <xsd:attribute name="width" type="xsd:string" use="optional"/>
+    <xsd:attribute name="height" type="xsd:string" use="optional"/>
+    <xsd:attribute name="caption" type="xsd:string" use="optional"/>
+    <xsd:attribute name="engine" type="DoxPlantumlEngine" use="optional"/>
+  </xsd:complexType>
+
   <xsd:complexType name="docTocItemType" mixed="true">
     <xsd:group ref="docTitleCmdGroup" minOccurs="0" maxOccurs="unbounded" />
     <xsd:attribute name="id" type="xsd:string" /> 
@@ -907,6 +1376,13 @@
     <xsd:attribute name="link" type="xsd:string" /> 
   </xsd:complexType>
 
+  <xsd:complexType name="docDetailsType">
+    <xsd:sequence>
+      <xsd:element name="summary" type="docSummaryType" minOccurs="0" maxOccurs="1" />
+      <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
+    </xsd:sequence>
+  </xsd:complexType>
+
   <xsd:complexType name="docBlockQuoteType">
     <xsd:sequence>
       <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
@@ -923,13 +1399,23 @@
 
   <xsd:complexType name="tableofcontentsType">
     <xsd:sequence>
-      <xsd:element name="tocsect" type="tableofcontentsKindType" minOccurs="1" maxOccurs="unbounded" />
+      <xsd:choice>
+        <xsd:element name="tocsect" type="tableofcontentsKindType" minOccurs="1" maxOccurs="unbounded" />
+        <xsd:element name="tableofcontents" type="tableofcontentsType" minOccurs="0" maxOccurs="unbounded" />
+      </xsd:choice>
+    </xsd:sequence>
+  </xsd:complexType>
+
+  <xsd:complexType name="tableofcontentsNameType">
+    <xsd:sequence>
+      <xsd:element name="para" type="docParaType" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
   </xsd:complexType>
 
   <xsd:complexType name="tableofcontentsKindType">
     <xsd:sequence>
-      <xsd:element name="name" type="xsd:string" minOccurs="1" maxOccurs="1"/>
+      <xsd:element name="name" type="xsd:string" minOccurs="1" maxOccurs="1"/> <!-- obsolete, use docs instead! -->
+      <xsd:element name="docs" type="tableofcontentsNameType" minOccurs="1" maxOccurs="1"/>
       <xsd:element name="reference" type="xsd:string" minOccurs="1" maxOccurs="1"/>
       <xsd:element name="tableofcontents" type="tableofcontentsType" minOccurs="0" maxOccurs="unbounded" />
     </xsd:sequence>
@@ -940,6 +1426,20 @@
     <xsd:attribute name="unicode" type="xsd:string"/>
   </xsd:complexType>
 
+  <xsd:complexType name="requirementRefsType">
+    <xsd:sequence>
+      <xsd:element name="requirement" type="requirementRefType" minOccurs="1" maxOccurs="unbounded"/>
+    </xsd:sequence>
+  </xsd:complexType>
+
+  <xsd:complexType name="requirementRefType">
+    <xsd:simpleContent>
+      <xsd:extension base="xsd:string">
+        <xsd:attribute name="refid" type="xsd:string" use="required"/>
+      </xsd:extension>
+    </xsd:simpleContent>
+  </xsd:complexType>
+
   <!-- Simple types -->
 
   <xsd:simpleType name="DoxBool">
@@ -1019,8 +1519,9 @@
       <xsd:enumeration value="VHDL" />
       <xsd:enumeration value="XML" />
       <xsd:enumeration value="SQL" />
-      <xsd:enumeration value="Tcl" />
       <xsd:enumeration value="Markdown" />
+      <xsd:enumeration value="Slice" />
+      <xsd:enumeration value="Lex" />
     </xsd:restriction>
   </xsd:simpleType>
 
@@ -1051,6 +1552,8 @@
       <xsd:enumeration value="page" />
       <xsd:enumeration value="example" />
       <xsd:enumeration value="dir" />
+      <xsd:enumeration value="concept" />
+      <xsd:enumeration value="requirement" />
     </xsd:restriction>
   </xsd:simpleType>
 
@@ -1104,6 +1607,7 @@
       <xsd:enumeration value="keywordtype" />
       <xsd:enumeration value="keywordflow" />
       <xsd:enumeration value="stringliteral" />
+      <xsd:enumeration value="xmlcdata" />
       <xsd:enumeration value="charliteral" />
       <xsd:enumeration value="vhdlkeyword" />
       <xsd:enumeration value="vhdllogic" />
@@ -1129,11 +1633,19 @@
       <xsd:enumeration value="invariant" />
       <xsd:enumeration value="remark" />
       <xsd:enumeration value="attention" />
+      <xsd:enumeration value="important" />
       <xsd:enumeration value="par" />
       <xsd:enumeration value="rcs" />
     </xsd:restriction>
   </xsd:simpleType>
 
+  <xsd:simpleType name="DoxCheck">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="checked" />
+      <xsd:enumeration value="unchecked" />
+    </xsd:restriction>
+  </xsd:simpleType>
+
   <xsd:simpleType name="DoxVersionNumber">
     <xsd:restriction base="xsd:string">
       <xsd:pattern value="\d+\.\d+.*" />
@@ -1146,6 +1658,33 @@
       <xsd:enumeration value="latex" />
       <xsd:enumeration value="docbook" />
       <xsd:enumeration value="rtf" />
+      <xsd:enumeration value="xml" />
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="DoxPlantumlEngine">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="uml"/>
+      <xsd:enumeration value="bpm"/>
+      <xsd:enumeration value="wire"/>
+      <xsd:enumeration value="dot"/>
+      <xsd:enumeration value="ditaa"/>
+      <xsd:enumeration value="salt"/>
+      <xsd:enumeration value="math"/>
+      <xsd:enumeration value="latex"/>
+      <xsd:enumeration value="gantt"/>
+      <xsd:enumeration value="mindmap"/>
+      <xsd:enumeration value="wbs"/>
+      <xsd:enumeration value="yaml"/>
+      <xsd:enumeration value="creole"/>
+      <xsd:enumeration value="json"/>
+      <xsd:enumeration value="flow"/>
+      <xsd:enumeration value="board"/>
+      <xsd:enumeration value="git"/>
+      <xsd:enumeration value="hcl"/>
+      <xsd:enumeration value="regex"/>
+      <xsd:enumeration value="ebnf"/>
+      <xsd:enumeration value="files"/>
     </xsd:restriction>
   </xsd:simpleType>
 
@@ -1183,5 +1722,31 @@
     </xsd:restriction>
   </xsd:simpleType>
 
+  <xsd:simpleType name="DoxAlign">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="left"/>
+      <xsd:enumeration value="right"/>
+      <xsd:enumeration value="center"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="DoxVerticalAlign">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="bottom"/>
+      <xsd:enumeration value="top"/>
+      <xsd:enumeration value="middle"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="DoxOlType">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="1" />
+      <xsd:enumeration value="a" />
+      <xsd:enumeration value="A" />
+      <xsd:enumeration value="i" />
+      <xsd:enumeration value="I" />
+    </xsd:restriction>
+  </xsd:simpleType>
+
 </xsd:schema>
 
diff --git a/docs/cpp/xml/coord__cache_8cpp.xml b/docs/cpp/xml/coord__cache_8cpp.xml
index dfef3731..2373e620 100644
--- a/docs/cpp/xml/coord__cache_8cpp.xml
+++ b/docs/cpp/xml/coord__cache_8cpp.xml
@@ -1,157 +1,153 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="coord__cache_8cpp" kind="file" language="C++">
     <compoundname>coord_cache.cpp</compoundname>
     <includes refid="coord__cache_8h" local="yes">libmolgrid/coord_cache.h</includes>
+    <includes refid="string__cache_8h" local="yes">libmolgrid/string_cache.h</includes>
     <includes local="no">boost/algorithm/string.hpp</includes>
-    <includes local="no">boost/filesystem/path.hpp</includes>
     <includes local="no">boost/filesystem.hpp</includes>
+    <includes local="no">boost/filesystem/path.hpp</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes local="no">openbabel/obconversion.h</includes>
-    <includes local="no">cuda_runtime.h</includes>
     <incdepgraph>
-      <node id="30">
-        <label>boost/algorithm/string.hpp</label>
-      </node>
-      <node id="26">
-        <label>functional</label>
-      </node>
-      <node id="27">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
+      <node id="3">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-      </node>
-      <node id="9">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="21">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="13">
-        <label>cassert</label>
-      </node>
-      <node id="10">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="11" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+      </node>
+      <node id="26">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="28">
-        <label>unordered_set</label>
       </node>
       <node id="2">
         <label>libmolgrid/coord_cache.h</label>
         <link refid="coord__cache_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="33" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="34" relation="include">
+        </childnode>
+        <childnode refid="35" relation="include">
+        </childnode>
+        <childnode refid="36" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
         </childnode>
       </node>
-      <node id="20">
-        <label>random</label>
+      <node id="11">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
       </node>
-      <node id="22">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="23" relation="include">
+      <node id="33">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+      </node>
+      <node id="20">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
         </childnode>
         <childnode refid="25" relation="include">
         </childnode>
         <childnode refid="26" relation="include">
         </childnode>
-      </node>
-      <node id="31">
-        <label>boost/filesystem/path.hpp</label>
-      </node>
-      <node id="23">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="33">
-        <label>openbabel/obconversion.h</label>
-      </node>
-      <node id="4">
-        <label>vector</label>
-      </node>
-      <node id="32">
-        <label>boost/filesystem.hpp</label>
-      </node>
-      <node id="8">
-        <label>utility</label>
+        <childnode refid="29" relation="include">
+        </childnode>
       </node>
       <node id="29">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
-      </node>
-      <node id="15">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="7" relation="include">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
         <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
       </node>
-      <node id="24">
-        <label>openbabel/elements.h</label>
-      </node>
       <node id="14">
-        <label>iostream</label>
-      </node>
-      <node id="25">
-        <label>unordered_map</label>
-      </node>
-      <node id="18">
-        <label>cuda.h</label>
-      </node>
-      <node id="17">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="12">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="6">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
+        <childnode refid="15" relation="include">
+        </childnode>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+      </node>
+      <node id="31">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="32" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -159,48 +155,115 @@
         <link refid="coord__cache_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
-        </childnode>
         <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="39" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="40" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="41" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="42" relation="include">
         </childnode>
       </node>
-      <node id="11">
+      <node id="39">
+        <label>boost/algorithm/string.hpp</label>
+      </node>
+      <node id="35">
+        <label>boost/archive/binary_iarchive.hpp</label>
+      </node>
+      <node id="36">
+        <label>boost/archive/binary_oarchive.hpp</label>
+      </node>
+      <node id="40">
+        <label>boost/filesystem.hpp</label>
+      </node>
+      <node id="41">
+        <label>boost/filesystem/path.hpp</label>
+      </node>
+      <node id="34">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
+      </node>
+      <node id="17">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="21">
         <label>boost/multi_array.hpp</label>
       </node>
+      <node id="22">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="13">
+        <label>boost/serialization/access.hpp</label>
+      </node>
       <node id="19">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="14" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="21" relation="include">
-        </childnode>
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="16">
+      <node id="37">
+        <label>boost/serialization/serialization.hpp</label>
+      </node>
+      <node id="18">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="38">
+        <label>boost/serialization/unordered_map.hpp</label>
+      </node>
+      <node id="23">
+        <label>cassert</label>
+      </node>
+      <node id="15">
+        <label>cstdlib</label>
+      </node>
+      <node id="24">
         <label>cstring</label>
       </node>
-      <node id="3">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
+      <node id="10">
+        <label>functional</label>
+      </node>
+      <node id="8">
+        <label>iostream</label>
+      </node>
+      <node id="28">
+        <label>libmolgrid/config.h</label>
       </node>
       <node id="7">
         <label>memory</label>
       </node>
+      <node id="4">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="5">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="12">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="42">
+        <label>openbabel/obconversion.h</label>
+      </node>
+      <node id="30">
+        <label>random</label>
+      </node>
+      <node id="25">
+        <label>stdexcept</label>
+      </node>
+      <node id="27">
+        <label>string</label>
+      </node>
+      <node id="9">
+        <label>unordered_map</label>
+      </node>
+      <node id="32">
+        <label>unordered_set</label>
+      </node>
+      <node id="16">
+        <label>utility</label>
+      </node>
+      <node id="6">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -216,13 +279,13 @@
 <codeline lineno="6"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coord__cache_8h" kindref="compound">libmolgrid/coord_cache.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="9"><highlight class="normal"></highlight></codeline>
-<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/algorithm/string.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/filesystem/path.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="string__cache_8h" kindref="compound">libmolgrid/string_cache.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/algorithm/string.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/filesystem.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/obconversion.h&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/filesystem/path.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/obconversion.h&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight></codeline>
@@ -231,159 +294,182 @@
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
 <codeline lineno="22" refid="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" kindref="member">do_not_optimize_away</ref>;</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
-<codeline lineno="24"><highlight class="normal"></highlight><highlight class="comment">//read<sp/>in<sp/>molcache<sp/>if<sp/>present</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="25" refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache::CoordCache</ref>(std::shared_ptr&lt;AtomTyper&gt;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>mc):<sp/>typer(t),<sp/>data_root(settings.data_root),<sp/>molcache(mc),</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>use_cache(settings.cache_structs),<sp/>addh(settings.add_hydrogens),<sp/>make_vector_types(settings.make_vector_types)<sp/>{</highlight></codeline>
-<codeline lineno="28"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(molcache.length()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/>static_assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal">)<sp/>==<sp/>8,<sp/></highlight><highlight class="stringliteral">&quot;size_t<sp/>must<sp/>be<sp/>8<sp/>bytes&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"></highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!boost::filesystem::exists(molcache))<sp/>{</highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//try<sp/>looking<sp/>in<sp/>dataroot</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>molcache<sp/>=<sp/>(boost::filesystem::path(data_root)<sp/>/<sp/>molcache).</highlight><highlight class="keywordtype">string</highlight><highlight class="normal">();</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/>ifstream<sp/>mcache(molcache.c_str());</highlight></codeline>
-<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!mcache)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file:<sp/>&quot;</highlight><highlight class="normal">+molcache);</highlight></codeline>
-<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)&amp;version,</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">));</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(version<sp/>!=<sp/>-1)<sp/>{</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(molcache+</highlight><highlight class="stringliteral">&quot;<sp/>is<sp/>not<sp/>a<sp/>valid<sp/>molcache2<sp/>file&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)&amp;start,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal">));</highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.seekg(start);</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//open<sp/>memory<sp/>map<sp/>for<sp/>moldata</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/>cache_map.open(molcache.c_str(),start);</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!cache_map.is_open())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>memory<sp/>map<sp/>&quot;</highlight><highlight class="normal">+molcache);</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight><highlight class="comment">//<sp/>read<sp/>in<sp/>molcache<sp/>if<sp/>present</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="25" refid="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache::CoordCache</ref>(std::shared_ptr&lt;AtomTyper&gt;<sp/>t,</highlight></codeline>
+<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;settings,</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;mc)</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/>:<sp/>typer(t),<sp/>data_root(settings.data_root),<sp/>molcache(mc),</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>use_cache(settings.cache_structs),<sp/>addh(settings.add_hydrogens),</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>make_vector_types(settings.make_vector_types)<sp/>{</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(molcache.length()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/>static_assert(sizeof(size_t)<sp/>==<sp/>8,<sp/></highlight><highlight class="stringliteral">&quot;size_t<sp/>must<sp/>be<sp/>8<sp/>bytes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"></highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>if<sp/>(!boost::filesystem::exists(molcache))<sp/>{</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>try<sp/>looking<sp/>in<sp/>dataroot</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>molcache<sp/>=<sp/>(boost::filesystem::path(data_root)<sp/>/<sp/>molcache).string();</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/>ifstream<sp/>mcache(molcache.c_str());</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/>if<sp/>(!mcache)</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>molcache);</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*)&amp;version,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">));</highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(version<sp/>!=<sp/>-1)<sp/>{</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(molcache<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>is<sp/>not<sp/>a<sp/>valid<sp/>molcache2<sp/>file&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*)&amp;start,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal">));</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/>mcache.seekg(start);</highlight></codeline>
 <codeline lineno="49"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//read<sp/>in<sp/>name<sp/>+<sp/>offset</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>len<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>molname[256];</highlight></codeline>
-<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>open<sp/>memory<sp/>map<sp/>for<sp/>moldata</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/>cache_map.open(molcache.c_str(),<sp/>start);</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/>if<sp/>(!cache_map.is_open())</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>memory<sp/>map<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>molcache);</highlight></codeline>
 <codeline lineno="54"><highlight class="normal"></highlight></codeline>
-<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal">(mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)&amp;len,<sp/>1))<sp/>{</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//read<sp/>name<sp/>then<sp/>offset</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>mcache.read(molname,<sp/>len);</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>molname[len]<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)&amp;offset,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal">));</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"></highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>mname(molname);</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offsets[<ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.<ref refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" kindref="member">get</ref>(mname)]<sp/>=<sp/>offset;</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"></highlight></codeline>
-<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//prefetch<sp/>into<sp/>file<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>sum<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>cache_map.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i<sp/>+=<sp/>1024)<sp/>{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sum<sp/>+=<sp/>cache_map.data()[i];</highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" kindref="member">do_not_optimize_away</ref><sp/>=<sp/>sum;</highlight></codeline>
-<codeline lineno="71"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"></highlight></codeline>
-<codeline lineno="73"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75"><highlight class="normal"></highlight><highlight class="comment">//set<sp/>coords<sp/>using<sp/>the<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="76" refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" kindref="member">CoordCache::set_coords</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname,<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>coord)<sp/>{</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"></highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal">info<sp/>{</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,y,z;</highlight></codeline>
-<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>type;</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"></highlight></codeline>
-<codeline lineno="83"><highlight class="normal"></highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(offsets.count(fname))<sp/>{</highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>off<sp/>=<sp/>offsets[fname];</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*data<sp/>=<sp/>cache_map.data()+off;</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>*(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">*)data;</highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/>info<sp/>*atoms<sp/>=<sp/>(info*)(data+</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">));</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"></highlight></codeline>
-<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(typer-&gt;is_vector_typer())</highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>typer<sp/>used<sp/>with<sp/>molcache<sp/>files&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>read<sp/>in<sp/>name<sp/>+<sp/>offset</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>len<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>molname[256];</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"></highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal"><sp/>(mcache.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*)&amp;len,<sp/>1))<sp/>{</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>read<sp/>name<sp/>then<sp/>offset</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>mcache.read(molname,<sp/>len);</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>molname[len]<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>mcache.read((char<sp/>*)&amp;offset,<sp/>sizeof(size_t));</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"></highlight></codeline>
+<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>string<sp/>mname(molname);</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offsets[string_cache.get(mname)]<sp/>=<sp/>offset;</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>prefetch<sp/>into<sp/>file<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>sum<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/>for<sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>cache_map.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i<sp/>+=<sp/>1024)<sp/>{</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sum<sp/>+=<sp/>cache_map.data()[i];</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" kindref="member">do_not_optimize_away</ref><sp/>=<sp/>sum;</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="77"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"></highlight></codeline>
+<codeline lineno="79"><highlight class="normal"></highlight><highlight class="comment">//<sp/>set<sp/>coords<sp/>using<sp/>the<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="80" refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" kindref="member">CoordCache::set_coords</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname,<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>&amp;coord)<sp/>{</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"></highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal">info<sp/>{</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/>y,<sp/>z;</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>type;</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"></highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(offsets.count(fname))<sp/>{</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>off<sp/>=<sp/>offsets[fname];</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*data<sp/>=<sp/>cache_map.data()<sp/>+<sp/>off;</highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>*(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>*)data;</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/>info<sp/>*atoms<sp/>=<sp/>(info<sp/>*)(data<sp/>+<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">));</highlight></codeline>
 <codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>c;<sp/>c.reserve(natoms);</highlight></codeline>
-<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>r;<sp/>r.reserve(natoms);</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;int&gt;<sp/>t;<sp/>t.reserve(natoms);</highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>natoms;<sp/>i++)</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>info&amp;<sp/>atom<sp/>=<sp/>atoms[i];</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>typer-&gt;get_int_type(atom.type);</highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t_r.first<sp/>&gt;=<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//ignore<sp/>neg</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t.push_back(t_r.first);</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>r.push_back(t_r.second);</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(make_float3(atom.x,atom.y,atom.z));</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"></highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(c,<sp/>t,<sp/>r,<sp/>typer-&gt;num_types());</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(memcache.count(fname))<sp/>{</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/>coord<sp/>=<sp/>memcache[fname].clone();<sp/></highlight><highlight class="comment">//always<sp/>copy<sp/>out<sp/>of<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>fullname<sp/>=<sp/>fname;</highlight></codeline>
-<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(data_root.length())<sp/>{</highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>boost::filesystem::path<sp/>p<sp/>=<sp/>boost::filesystem::path(data_root)<sp/>/<sp/>boost::filesystem::path(fname);</highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>fullname<sp/>=<sp/>p.string();</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//check<sp/>for<sp/>custom<sp/>gninatypes<sp/>file</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(boost::algorithm::ends_with(fname,</highlight><highlight class="stringliteral">&quot;.gninatypes&quot;</highlight><highlight class="normal">))</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(typer-&gt;is_vector_typer())</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>typer<sp/>used<sp/>with<sp/>gninatypes<sp/>files&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"></highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ifstream<sp/>in(fullname.c_str());</highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!in)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>&quot;</highlight><highlight class="normal">+fullname);</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"></highlight></codeline>
-<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>c;</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>r;</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;int&gt;<sp/>t;</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>info<sp/>atom;</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(typer-&gt;is_vector_typer())</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>typer<sp/>used<sp/>with<sp/>molcache<sp/>files&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"></highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>c;</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/>c.reserve(natoms);</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>r;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/>r.reserve(natoms);</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;int&gt;<sp/>t;</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/>t.reserve(natoms);</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>natoms;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>info<sp/>&amp;atom<sp/>=<sp/>atoms[i];</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>typer-&gt;get_int_type(atom.type);</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(t_r.first<sp/>&gt;=<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//<sp/>ignore<sp/>neg</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t.push_back(t_r.first);</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>r.push_back(t_r.second);</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(atom.x,<sp/>atom.y,<sp/>atom.z));</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"></highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(c,<sp/>t,<sp/>r,<sp/>typer-&gt;num_types());</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(memcache.count(fname))<sp/>{</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/>coord<sp/>=<sp/>memcache[fname].<ref refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" kindref="member">clone</ref>();<sp/></highlight><highlight class="comment">//<sp/>always<sp/>copy<sp/>out<sp/>of<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>fullname<sp/>=<sp/>fname;</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(data_root.length())<sp/>{</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>boost::filesystem::path<sp/>p<sp/>=</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>boost::filesystem::path(data_root)<sp/>/<sp/>boost::filesystem::path(fname);</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>fullname<sp/>=<sp/>p.string();</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>check<sp/>for<sp/>custom<sp/>gninatypes<sp/>file</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(boost::algorithm::ends_with(fname,<sp/></highlight><highlight class="stringliteral">&quot;.gninatypes&quot;</highlight><highlight class="normal">))<sp/>{</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(typer-&gt;is_vector_typer())</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>typer<sp/>used<sp/>with<sp/>gninatypes<sp/>files&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"></highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ifstream<sp/>in(fullname.c_str());</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!in)</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fullname);</highlight></codeline>
 <codeline lineno="131"><highlight class="normal"></highlight></codeline>
-<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal">(in.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)&amp;atom,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(atom)))</highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
-<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>typer-&gt;get_int_type(atom.type);</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t_r.first<sp/>&gt;=<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//ignore<sp/>neg</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t.push_back(t_r.first);</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>r.push_back(t_r.second);</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(make_float3(atom.x,atom.y,atom.z));</highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"></highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(c,<sp/>t,<sp/>r,<sp/>typer-&gt;num_types());</highlight></codeline>
-<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!boost::algorithm::ends_with(fname,</highlight><highlight class="stringliteral">&quot;none&quot;</highlight><highlight class="normal">))<sp/></highlight><highlight class="comment">//reserved<sp/>word</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//read<sp/>mol<sp/>from<sp/>file<sp/>and<sp/>set<sp/>mol<sp/>info<sp/>(atom<sp/>coords<sp/>and<sp/>grid<sp/>positions)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>OBConversion<sp/>conv;</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>OBMol<sp/>mol;</highlight></codeline>
-<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!conv.ReadFile(&amp;mol,<sp/>fullname.c_str()))</highlight></codeline>
-<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fullname);</highlight></codeline>
-<codeline lineno="152"><highlight class="normal"></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(addh)<sp/>{</highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>mol.AddHydrogens();</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"></highlight></codeline>
-<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(&amp;mol,<sp/>*typer);</highlight></codeline>
-<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
-<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>();</highlight></codeline>
-<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>typer-&gt;num_types();<sp/></highlight><highlight class="comment">//empty,<sp/>but<sp/>include<sp/>type<sp/>size</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="163"><highlight class="normal"></highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>*ityper<sp/>=<sp/></highlight><highlight class="keyword">dynamic_cast&lt;</highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(typer.get());</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(make_vector_types<sp/>&amp;&amp;<sp/>ityper)<sp/>{</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">make_vector_types</ref>(</highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/>ityper-&gt;<ref refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kindref="member">get_type_radii</ref>());</highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(use_cache)<sp/>{<sp/></highlight><highlight class="comment">//save<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcache[fname]<sp/>=<sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" kindref="member">clone</ref>();<sp/></highlight><highlight class="comment">//save<sp/>a<sp/>copy<sp/>in<sp/>case<sp/>the<sp/>returned<sp/>set<sp/>is<sp/>modified</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>c;</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>r;</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;int&gt;<sp/>t;</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>info<sp/>atom;</highlight></codeline>
+<codeline lineno="136"><highlight class="normal"></highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal"><sp/>(in.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*)&amp;atom,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(atom)))<sp/>{</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>t_r<sp/>=<sp/>typer-&gt;get_int_type(atom.type);</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(t_r.first<sp/>&gt;=<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//<sp/>ignore<sp/>neg</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t.push_back(t_r.first);</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>r.push_back(t_r.second);</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(atom.x,<sp/>atom.y,<sp/>atom.z));</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"></highlight></codeline>
+<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(c,<sp/>t,<sp/>r,<sp/>typer-&gt;num_types());</highlight></codeline>
+<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!boost::algorithm::ends_with(fname,<sp/></highlight><highlight class="stringliteral">&quot;none&quot;</highlight><highlight class="normal">))<sp/></highlight><highlight class="comment">//<sp/>reserved<sp/>word</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>read<sp/>mol<sp/>from<sp/>file<sp/>and<sp/>set<sp/>mol<sp/>info<sp/>(atom<sp/>coords<sp/>and<sp/>grid<sp/>positions)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>OBConversion<sp/>conv;</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>OBMol<sp/>mol;</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!conv.ReadFile(&amp;mol,<sp/>fullname.c_str()))</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fullname);</highlight></codeline>
+<codeline lineno="155"><highlight class="normal"></highlight></codeline>
+<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(addh)<sp/>{</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>mol.AddHydrogens();</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"></highlight></codeline>
+<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(&amp;mol,<sp/>*typer);</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>fname;</highlight></codeline>
+<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>();</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>typer-&gt;num_types();<sp/></highlight><highlight class="comment">//<sp/>empty,<sp/>but<sp/>include<sp/>type<sp/>size</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight></codeline>
+<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>*ityper<sp/>=<sp/></highlight><highlight class="keyword">dynamic_cast&lt;</highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomIndexTyper" kindref="compound">AtomIndexTyper</ref><sp/>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(typer.get());</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(make_vector_types<sp/>&amp;&amp;<sp/>ityper)<sp/>{</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">make_vector_types</ref>(</highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/>ityper-&gt;<ref refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kindref="member">get_type_radii</ref>());</highlight></codeline>
 <codeline lineno="170"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="172"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="173"><highlight class="normal"></highlight></codeline>
-<codeline lineno="174"><highlight class="normal"></highlight></codeline>
-<codeline lineno="175"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(use_cache)<sp/>{<sp/></highlight><highlight class="comment">//<sp/>save<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcache[fname]<sp/>=</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>coord.<ref refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" kindref="member">clone</ref>();<sp/></highlight><highlight class="comment">//<sp/>save<sp/>a<sp/>copy<sp/>in<sp/>case<sp/>the<sp/>returned<sp/>set<sp/>is<sp/>modified</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="175"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="176"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"></highlight></codeline>
+<codeline lineno="178" refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" kindref="member">CoordCache::save_mem_cache</ref>(std::ostream<sp/>&amp;out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"><sp/><sp/>boost::archive::binary_oarchive<sp/>oarch(out);</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"></highlight></codeline>
+<codeline lineno="181"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>must<sp/>convert<sp/>to<sp/>std::string<sp/>as<sp/>storing<sp/>pointers<sp/>makes<sp/>no<sp/>sense</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="182"><highlight class="normal"><sp/><sp/>std::unordered_map&lt;std::string,<sp/>CoordinateSet&gt;<sp/>tmp;</highlight></codeline>
+<codeline lineno="183"><highlight class="normal"><sp/><sp/>tmp.insert(memcache.begin(),<sp/>memcache.end());</highlight></codeline>
+<codeline lineno="184"><highlight class="normal"><sp/><sp/>oarch<sp/>&lt;&lt;<sp/>tmp;</highlight></codeline>
+<codeline lineno="185"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="186"><highlight class="normal"></highlight></codeline>
+<codeline lineno="187"><highlight class="normal"></highlight></codeline>
+<codeline lineno="188" refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" kindref="member">CoordCache::load_mem_cache</ref>(std::istream<sp/>&amp;in)<sp/>{</highlight></codeline>
+<codeline lineno="189"><highlight class="normal"><sp/><sp/>boost::archive::binary_iarchive<sp/>iarch(in);</highlight></codeline>
+<codeline lineno="190"><highlight class="normal"><sp/><sp/>std::unordered_map&lt;std::string,<sp/>CoordinateSet&gt;<sp/>tmp;<sp/></highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/>iarch<sp/>&gt;&gt;<sp/>tmp;</highlight></codeline>
+<codeline lineno="192"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal">&amp;<sp/>kv<sp/>:<sp/>tmp)<sp/>{</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.get(kv.first);</highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/>memcache[fname]<sp/>=<sp/>kv.second;</highlight></codeline>
+<codeline lineno="195"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="196"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="197"><highlight class="normal"></highlight></codeline>
+<codeline lineno="198"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/coord_cache.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/coord__cache_8h.xml b/docs/cpp/xml/coord__cache_8h.xml
index fb120307..cd0f5d98 100644
--- a/docs/cpp/xml/coord__cache_8h.xml
+++ b/docs/cpp/xml/coord__cache_8h.xml
@@ -1,108 +1,137 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="coord__cache_8h" kind="file" language="C++">
     <compoundname>coord_cache.h</compoundname>
-    <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
+    <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
     <includes local="no">boost/iostreams/device/mapped_file.hpp</includes>
-    <includedby refid="example__extractor_8h" local="yes">example_extractor.h</includedby>
+    <includes local="no">boost/archive/binary_iarchive.hpp</includes>
+    <includes local="no">boost/archive/binary_oarchive.hpp</includes>
+    <includes local="no">boost/serialization/serialization.hpp</includes>
+    <includes local="no">boost/serialization/unordered_map.hpp</includes>
     <includedby refid="coord__cache_8cpp" local="yes">coord_cache.cpp</includedby>
+    <includedby refid="example__extractor_8h" local="yes">example_extractor.h</includedby>
     <incdepgraph>
-      <node id="25">
-        <label>functional</label>
-      </node>
-      <node id="26">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
+      <node id="2">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-      </node>
-      <node id="8">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="20">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="12">
-        <label>cassert</label>
-      </node>
-      <node id="9">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="10" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+      </node>
+      <node id="25">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
-      </node>
-      <node id="4">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="27">
-        <label>unordered_set</label>
       </node>
       <node id="1">
         <label>coord_cache.h</label>
         <link refid="coord__cache_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="33" relation="include">
+        </childnode>
+        <childnode refid="34" relation="include">
+        </childnode>
+        <childnode refid="35" relation="include">
+        </childnode>
+        <childnode refid="36" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
         </childnode>
       </node>
-      <node id="19">
-        <label>random</label>
+      <node id="10">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
       </node>
-      <node id="21">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="22" relation="include">
+      <node id="32">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+      </node>
+      <node id="19">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
         </childnode>
         <childnode refid="24" relation="include">
         </childnode>
         <childnode refid="25" relation="include">
         </childnode>
-      </node>
-      <node id="22">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="3">
-        <label>vector</label>
-      </node>
-      <node id="7">
-        <label>utility</label>
+        <childnode refid="28" relation="include">
+        </childnode>
       </node>
       <node id="28">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
       </node>
-      <node id="14">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+      <node id="13">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="14" relation="include">
+        </childnode>
         <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="15" relation="include">
@@ -111,116 +140,151 @@
         </childnode>
         <childnode refid="17" relation="include">
         </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
       </node>
-      <node id="23">
-        <label>openbabel/elements.h</label>
+      <node id="30">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
       </node>
-      <node id="13">
-        <label>iostream</label>
+      <node id="34">
+        <label>boost/archive/binary_iarchive.hpp</label>
       </node>
-      <node id="24">
-        <label>unordered_map</label>
+      <node id="35">
+        <label>boost/archive/binary_oarchive.hpp</label>
       </node>
-      <node id="17">
-        <label>cuda.h</label>
+      <node id="33">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
       <node id="16">
-        <label>cuda_runtime_api.h</label>
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="11">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="20">
+        <label>boost/multi_array.hpp</label>
       </node>
-      <node id="5">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="6" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
+      <node id="21">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="10">
-        <label>boost/multi_array.hpp</label>
+      <node id="12">
+        <label>boost/serialization/access.hpp</label>
       </node>
       <node id="18">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="19" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="15">
+      <node id="36">
+        <label>boost/serialization/serialization.hpp</label>
+      </node>
+      <node id="17">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="37">
+        <label>boost/serialization/unordered_map.hpp</label>
+      </node>
+      <node id="22">
+        <label>cassert</label>
+      </node>
+      <node id="14">
+        <label>cstdlib</label>
+      </node>
+      <node id="23">
         <label>cstring</label>
       </node>
-      <node id="2">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
+      <node id="9">
+        <label>functional</label>
+      </node>
+      <node id="7">
+        <label>iostream</label>
+      </node>
+      <node id="27">
+        <label>libmolgrid/config.h</label>
       </node>
       <node id="6">
         <label>memory</label>
       </node>
-    </incdepgraph>
-    <invincdepgraph>
-      <node id="2">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
+      <node id="3">
+        <label>openbabel/atom.h</label>
       </node>
-      <node id="7">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
+      <node id="4">
+        <label>openbabel/elements.h</label>
       </node>
+      <node id="11">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="29">
+        <label>random</label>
+      </node>
+      <node id="24">
+        <label>stdexcept</label>
+      </node>
+      <node id="26">
+        <label>string</label>
+      </node>
+      <node id="8">
+        <label>unordered_map</label>
+      </node>
+      <node id="31">
+        <label>unordered_set</label>
+      </node>
+      <node id="15">
+        <label>utility</label>
+      </node>
+      <node id="5">
+        <label>vector</label>
+      </node>
+    </incdepgraph>
+    <invincdepgraph>
       <node id="1">
         <label>coord_cache.h</label>
         <link refid="coord__cache_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
       </node>
-      <node id="3">
+      <node id="4">
         <label>example_dataset.h</label>
         <link refid="example__dataset_8h"/>
+        <childnode refid="5" relation="include">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
         <childnode refid="4" relation="include">
         </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
       </node>
-      <node id="5">
+      <node id="7">
         <label>example_provider.h</label>
         <link refid="example__provider_8h"/>
-        <childnode refid="6" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="8">
+      <node id="2">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="4">
+      <node id="5">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="6">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="8">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1CoordCache" prot="public">libmolgrid::CoordCache</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -234,48 +298,79 @@
 <para>Created on: Apr 12, 2019 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="7"><highlight class="preprocessor">#ifndef<sp/>COORD_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>COORD_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>COORD_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight></codeline>
-<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="atom__typer_8h" kindref="compound">libmolgrid/atom_typer.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="atom__typer_8h" kindref="compound">libmolgrid/atom_typer.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/iostreams/device/mapped_file.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="16"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23" refid="classlibmolgrid_1_1CoordCache" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CoordCache" kindref="compound">CoordCache</ref><sp/>{</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/>MemCache<sp/>=<sp/>std::unordered_map&lt;const<sp/>char*,<sp/>CoordinateSet&gt;;</highlight></codeline>
-<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/>MemCache<sp/>memcache;</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>typer;</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>data_root;</highlight></codeline>
-<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>molcache;</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>use_cache<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;<sp/></highlight><highlight class="comment">//is<sp/>possible<sp/>to<sp/>disable<sp/>caching</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>addh<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;<sp/></highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>make_vector_types<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
-<codeline lineno="32"><highlight class="normal"></highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>memory<sp/>mapped<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>boost::iostreams::mapped_file_source<sp/>cache_map;</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/>std::unordered_map&lt;const<sp/>char*,<sp/>size_t&gt;<sp/>offsets;<sp/></highlight><highlight class="comment">//map<sp/>from<sp/>names<sp/>to<sp/>position<sp/>in<sp/>cache_map</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="37"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="38" refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache</ref>()<sp/>{}</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache</ref>(std::shared_ptr&lt;AtomTyper&gt;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>mc<sp/>=<sp/></highlight><highlight class="stringliteral">&quot;&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="41" refid="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" kindref="member">~CoordCache</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/archive/binary_iarchive.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/archive/binary_oarchive.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/serialization/serialization.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/serialization/unordered_map.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight></codeline>
+<codeline lineno="26" refid="classlibmolgrid_1_1CoordCache" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache</ref><sp/>{</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal">MemCache<sp/>=<sp/>std::unordered_map&lt;const<sp/>char<sp/>*,<sp/>CoordinateSet&gt;;</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/>MemCache<sp/>memcache;</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>typer;</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/>std::string<sp/>data_root;</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/>std::string<sp/>molcache;</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>use_cache<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;<sp/></highlight><highlight class="comment">//<sp/>is<sp/>possible<sp/>to<sp/>disable<sp/>caching</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>addh<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;<sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>make_vector_types<sp/>=</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
+<codeline lineno="37"><highlight class="normal"></highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>for<sp/>memory<sp/>mapped<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/>boost::iostreams::mapped_file_source<sp/>cache_map;</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/>std::unordered_map&lt;const<sp/>char<sp/>*,<sp/>size_t&gt;</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offsets;<sp/></highlight><highlight class="comment">//<sp/>map<sp/>from<sp/>names<sp/>to<sp/>position<sp/>in<sp/>cache_map</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="42"><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" kindref="member">set_coords</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname,<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>coord);</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50" refid="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>typer-&gt;num_types();<sp/>}</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="52" refid="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>typer-&gt;get_type_names();<sp/>}</highlight></codeline>
-<codeline lineno="53"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="54"><highlight class="normal"></highlight></codeline>
-<codeline lineno="55"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"></highlight></codeline>
-<codeline lineno="57"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>COORD_CACHE_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="43"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="44" refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kindref="member">CoordCache</ref>(</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t,</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;settings<sp/>=<sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>(),</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;mc<sp/>=<sp/></highlight><highlight class="stringliteral">&quot;&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="49" refid="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" kindref="member">~CoordCache</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"></highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" kindref="member">set_coords</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname,<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>&amp;coord);</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight></codeline>
+<codeline lineno="59" refid="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>typer-&gt;num_types();<sp/>}</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"></highlight></codeline>
+<codeline lineno="61" refid="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal"><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>typer-&gt;get_type_names();</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"></highlight></codeline>
+<codeline lineno="69"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" kindref="member">save_mem_cache</ref>(std::ostream<sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"></highlight></codeline>
+<codeline lineno="74" refid="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" kindref="member">save_mem_cache</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>std::ofstream<sp/>out(fname.c_str());</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!out)</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" kindref="member">save_mem_cache</ref>(out);</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"></highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" kindref="member">load_mem_cache</ref>(std::istream<sp/>&amp;in);</highlight></codeline>
+<codeline lineno="88" refid="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" kindref="member">load_mem_cache</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)<sp/>{</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/>std::ifstream<sp/>in(fname.c_str());</highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!in)</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>load<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" kindref="member">load_mem_cache</ref>(in);</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"></highlight></codeline>
+<codeline lineno="95" refid="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853" kindref="member">mem_cache_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>memcache.size();</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="98"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"></highlight></codeline>
+<codeline lineno="100"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="101"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>COORD_CACHE_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coord_cache.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coord_cache.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/coordinateset_8cpp.xml b/docs/cpp/xml/coordinateset_8cpp.xml
index 4bdcde24..f0ebb8b2 100644
--- a/docs/cpp/xml/coordinateset_8cpp.xml
+++ b/docs/cpp/xml/coordinateset_8cpp.xml
@@ -1,79 +1,102 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="coordinateset_8cpp" kind="file" language="C++">
     <compoundname>coordinateset.cpp</compoundname>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
     <includes local="no">openbabel/obiter.h</includes>
     <incdepgraph>
-      <node id="25">
-        <label>functional</label>
-      </node>
-      <node id="9">
-        <label>boost/lexical_cast.hpp</label>
+      <node id="27">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
       </node>
       <node id="2">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="13">
-        <label>cassert</label>
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
       </node>
-      <node id="10">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
+      <node id="9">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
         <childnode refid="11" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
         <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+      </node>
+      <node id="19">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="20">
-        <label>random</label>
-      </node>
-      <node id="21">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
         <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
         </childnode>
+      </node>
+      <node id="23">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
         <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="2" relation="include">
         </childnode>
       </node>
-      <node id="22">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="4">
-        <label>vector</label>
-      </node>
-      <node id="8">
-        <label>utility</label>
-      </node>
-      <node id="15">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="7" relation="include">
+      <node id="13">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
         </childnode>
         <childnode refid="16" relation="include">
         </childnode>
@@ -81,38 +104,15 @@
         </childnode>
         <childnode refid="18" relation="include">
         </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
       </node>
-      <node id="26">
-        <label>openbabel/obiter.h</label>
-      </node>
-      <node id="23">
-        <label>openbabel/elements.h</label>
-      </node>
-      <node id="14">
-        <label>iostream</label>
-      </node>
-      <node id="24">
-        <label>unordered_map</label>
-      </node>
-      <node id="18">
-        <label>cuda.h</label>
-      </node>
-      <node id="17">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="12">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="6">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
+      <node id="25">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -120,43 +120,84 @@
         <link refid="coordinateset_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
       </node>
-      <node id="11">
+      <node id="16">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="20">
         <label>boost/multi_array.hpp</label>
       </node>
-      <node id="19">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="14" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="2" relation="include">
-        </childnode>
+      <node id="21">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="16">
+      <node id="12">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="18">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="17">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="22">
+        <label>cassert</label>
+      </node>
+      <node id="14">
+        <label>cstdlib</label>
+      </node>
+      <node id="4">
         <label>cstring</label>
       </node>
+      <node id="31">
+        <label>functional</label>
+      </node>
+      <node id="6">
+        <label>iostream</label>
+      </node>
+      <node id="8">
+        <label>libmolgrid/config.h</label>
+      </node>
       <node id="3">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
+        <label>memory</label>
+      </node>
+      <node id="28">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="29">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="11">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="32">
+        <label>openbabel/obiter.h</label>
+      </node>
+      <node id="24">
+        <label>random</label>
+      </node>
+      <node id="5">
+        <label>stdexcept</label>
       </node>
       <node id="7">
-        <label>memory</label>
+        <label>string</label>
+      </node>
+      <node id="30">
+        <label>unordered_map</label>
+      </node>
+      <node id="26">
+        <label>unordered_set</label>
+      </node>
+      <node id="15">
+        <label>utility</label>
+      </node>
+      <node id="10">
+        <label>vector</label>
       </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -171,7 +212,7 @@
 <codeline lineno="4"><highlight class="comment"><sp/>*<sp/><sp/>Created<sp/>on:<sp/>Mar<sp/>22,<sp/>2019</highlight></codeline>
 <codeline lineno="5"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>Author:<sp/>dkoes</highlight></codeline>
 <codeline lineno="6"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="atom__typer_8h" kindref="compound">libmolgrid/atom_typer.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
@@ -182,10 +223,10 @@
 <codeline lineno="15"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">std;</highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">OpenBabel;</highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(OBMol<sp/>*mol):<sp/>CoordinateSet(mol,<sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>)<sp/>{}</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(OBMol<sp/>*mol):<sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(mol,<sp/><ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>)<sp/>{}</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight><highlight class="comment">//initialize<sp/>with<sp/>obmol</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="21"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(OBMol<sp/>*mol,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>AtomTyper&amp;<sp/>typer)</highlight></codeline>
+<codeline lineno="21"><highlight class="normal">CoordinateSet::CoordinateSet(OBMol<sp/>*mol,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>AtomTyper&amp;<sp/>typer)</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"><sp/><sp/><sp/><sp/>:<sp/>max_type(typer.num_types())<sp/>{</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
 <codeline lineno="24"><highlight class="normal"><sp/><sp/>vector&lt;float3&gt;<sp/>c;<sp/>c.reserve(mol-&gt;NumAtoms());</highlight></codeline>
@@ -201,7 +242,7 @@
 <codeline lineno="34"><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>typer.get_atom_type_vector(atom,<sp/>vec);</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radius<sp/>&gt;<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//don&apos;t<sp/>ignore</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(make_float3(atom-&gt;GetX(),<sp/>atom-&gt;GetY(),<sp/>atom-&gt;GetZ()));</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(atom-&gt;GetX(),<sp/>atom-&gt;GetY(),<sp/>atom-&gt;GetZ()));</highlight></codeline>
 <codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>vector_types.push_back(vec);</highlight></codeline>
 <codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>rads.push_back(radius);</highlight></codeline>
 <codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
@@ -211,7 +252,7 @@
 <codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>type_rad.second;</highlight></codeline>
 <codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type<sp/>&gt;=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)max_type)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>type&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type<sp/>&gt;=<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//don&apos;t<sp/>ignore<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(make_float3(atom-&gt;GetX(),<sp/>atom-&gt;GetY(),<sp/>atom-&gt;GetZ()));</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(atom-&gt;GetX(),<sp/>atom-&gt;GetY(),<sp/>atom-&gt;GetZ()));</highlight></codeline>
 <codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>types.push_back(type);</highlight></codeline>
 <codeline lineno="49"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>rads.push_back(r);</highlight></codeline>
 <codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
@@ -221,8 +262,8 @@
 <codeline lineno="54"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//allocate<sp/>grids<sp/>and<sp/>initialize</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>c.size();</highlight></codeline>
 <codeline lineno="56"><highlight class="normal"><sp/><sp/>coords<sp/>=<sp/>MGrid2f(N,3);</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*coords.size());</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/>memcpy(coords.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N);</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*coords.size());</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/>memcpy(coords.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N);</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"></highlight></codeline>
 <codeline lineno="60"><highlight class="normal"><sp/><sp/>radii<sp/>=<sp/>MGrid1f(N);</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"><sp/><sp/>memcpy(radii.cpu().data(),<sp/>&amp;rads[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
@@ -240,60 +281,60 @@
 <codeline lineno="73"><highlight class="normal"></highlight></codeline>
 <codeline lineno="74"><highlight class="normal"></highlight><highlight class="comment">//initialize<sp/>with<sp/>indexed<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="75" refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt):</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/>coords(c.size(),3),<sp/>type_index(c.size()),<sp/>radii(c.size()),<sp/>max_type(maxt)<sp/>{</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),3),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(maxt)<sp/>{</highlight></codeline>
 <codeline lineno="77"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>c.size();</highlight></codeline>
 <codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>t.size())<sp/>{</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="80"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="81"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>r.size())<sp/>{</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="83"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="84"><highlight class="normal"></highlight></codeline>
 <codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="86"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu();<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu();<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.tocpu();</highlight></codeline>
 <codeline lineno="87"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu().data(),<sp/>&amp;r[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N);</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N);</highlight></codeline>
 <codeline lineno="90"><highlight class="normal"></highlight></codeline>
 <codeline lineno="91"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]<sp/>=<sp/>t[i];<sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>to<sp/>float</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/>type_index[i]<sp/>=<sp/>t[i];<sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>to<sp/>float</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="93"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="94"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"></highlight></codeline>
 <codeline lineno="96"><highlight class="normal"></highlight><highlight class="comment">//initialize<sp/>with<sp/>indexed<sp/>types<sp/>(float)</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="97" refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt):</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/>coords(c.size(),3),<sp/>type_index(c.size()),<sp/>radii(c.size()),<sp/>max_type(maxt)<sp/>{</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),3),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(maxt)<sp/>{</highlight></codeline>
 <codeline lineno="99"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>c.size();</highlight></codeline>
 <codeline lineno="100"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>t.size())<sp/>{</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="102"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="103"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>r.size())<sp/>{</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="105"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="106"><highlight class="normal"></highlight></codeline>
 <codeline lineno="107"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="108"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu();<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu();<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.tocpu();</highlight></codeline>
 <codeline lineno="109"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.cpu().data(),<sp/>&amp;t[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
 <codeline lineno="110"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu().data(),<sp/>&amp;r[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N);</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N);</highlight></codeline>
 <codeline lineno="113"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="114"><highlight class="normal"></highlight></codeline>
 <codeline lineno="116" refid="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt):</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/>coords(c.dimension(0),<sp/>c.dimension(1)),<sp/>type_index(t.dimension(0)),<sp/>radii(r.dimension(0)),<sp/>max_type(maxt)<sp/>{</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.dimension(0),<sp/>c.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>(t.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(r.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(maxt)<sp/>{</highlight></codeline>
 <codeline lineno="118"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(c);</highlight></codeline>
 <codeline lineno="119"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyFrom(t);</highlight></codeline>
 <codeline lineno="120"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(r);</highlight></codeline>
 <codeline lineno="121"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="122"><highlight class="normal"></highlight></codeline>
 <codeline lineno="123" refid="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt):</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/>coords(c.dimension(0),<sp/>c.dimension(1)),<sp/>type_index(t.dimension(0)),<sp/>radii(r.dimension(0)),<sp/>max_type(maxt)<sp/>{</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.dimension(0),<sp/>c.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>(t.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(r.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(maxt)<sp/>{</highlight></codeline>
 <codeline lineno="125"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(c);</highlight></codeline>
 <codeline lineno="126"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyFrom(t);</highlight></codeline>
 <codeline lineno="127"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(r);</highlight></codeline>
 <codeline lineno="128"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="129"><highlight class="normal"></highlight></codeline>
-<codeline lineno="130" refid="namespacelibmolgrid_1aafd219ed0c26b6bf36bbd792bbc4360e" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1aafd219ed0c26b6bf36bbd792bbc4360e" kindref="member">typ_vec_size</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>t)<sp/>{</highlight></codeline>
+<codeline lineno="130" refid="namespacelibmolgrid_1a1ede5637ddd13366bade238fd65b79b7" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a1ede5637ddd13366bade238fd65b79b7" kindref="member">typ_vec_size</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>t)<sp/>{</highlight></codeline>
 <codeline lineno="131"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.size()<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
 <codeline lineno="132"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>t[0].size();</highlight></codeline>
 <codeline lineno="133"><highlight class="normal">}</highlight></codeline>
@@ -301,59 +342,59 @@
 <codeline lineno="135"><highlight class="normal"></highlight></codeline>
 <codeline lineno="136"><highlight class="normal"></highlight><highlight class="comment">//initialize<sp/>with<sp/>vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="137" refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r):</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/>coords(c.size(),3),<sp/>type_vector(c.size(),<ref refid="namespacelibmolgrid_1aafd219ed0c26b6bf36bbd792bbc4360e" kindref="member">typ_vec_size</ref>(t)),<sp/>radii(r.size()),<sp/>max_type(<ref refid="namespacelibmolgrid_1aafd219ed0c26b6bf36bbd792bbc4360e" kindref="member">typ_vec_size</ref>(t))<sp/>{</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),3),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),<ref refid="namespacelibmolgrid_1a1ede5637ddd13366bade238fd65b79b7" kindref="member">typ_vec_size</ref>(t)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(r.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(<ref refid="namespacelibmolgrid_1a1ede5637ddd13366bade238fd65b79b7" kindref="member">typ_vec_size</ref>(t))<sp/>{</highlight></codeline>
 <codeline lineno="139"><highlight class="normal"></highlight></codeline>
 <codeline lineno="140"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>c.size();</highlight></codeline>
 <codeline lineno="141"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>t.size())<sp/>{</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>and<sp/>coordinates<sp/>are<sp/>of<sp/>different<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="143"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="144"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>!=<sp/>r.size()<sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>!=<sp/>r.size())<sp/>{</highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radius<sp/>and<sp/>coordinates/types<sp/>are<sp/>of<sp/>different<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(N)+</highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(r.size())+</highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>));</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/>throw<sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radius<sp/>and<sp/>coordinates/types<sp/>are<sp/>of<sp/>different<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal">+itoa(N)+</highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal">+itoa(r.size())+</highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal">+itoa(max_type));</highlight></codeline>
 <codeline lineno="146"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="147"><highlight class="normal"></highlight></codeline>
 <codeline lineno="148"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="149"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.tocpu();<sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu();<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.tocpu();</highlight></codeline>
 <codeline lineno="150"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu().data(),<sp/>&amp;r[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*r.size());</highlight></codeline>
-<codeline lineno="151"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
-<codeline lineno="152"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*N);</highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/>assert(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size());</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu().data(),<sp/>&amp;c[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*N);</highlight></codeline>
 <codeline lineno="153"><highlight class="normal"></highlight></codeline>
 <codeline lineno="154"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/>memcpy(<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].cpu().data(),<sp/>&amp;t[i][0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*t[i].<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/>memcpy(type_vector[i].cpu().data(),<sp/>&amp;t[i][0],<sp/>sizeof(float)*t[i].size());</highlight></codeline>
 <codeline lineno="156"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="157"><highlight class="normal"></highlight></codeline>
 <codeline lineno="158"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="159"><highlight class="normal"></highlight></codeline>
 <codeline lineno="160"><highlight class="normal"></highlight><highlight class="comment">//vector<sp/>types<sp/>in<sp/>grids</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="161" refid="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>r):</highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/>coords(c.dimension(0),c.dimension(1)),<sp/>type_vector(t.dimension(0),<sp/>t.dimension(1)),<sp/>radii(r.dimension(0)),<sp/>max_type(t.dimension(1))<sp/>{</highlight></codeline>
+<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.dimension(0),c.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>(t.dimension(0),<sp/>t.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(r.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(t.dimension(1))<sp/>{</highlight></codeline>
 <codeline lineno="163"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(c);</highlight></codeline>
 <codeline lineno="164"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyFrom(t);</highlight></codeline>
 <codeline lineno="165"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(r);</highlight></codeline>
 <codeline lineno="166"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="167"><highlight class="normal"></highlight></codeline>
 <codeline lineno="168" refid="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>r):</highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/>coords(c.dimension(0),c.dimension(1)),<sp/>type_vector(t.dimension(0),<sp/>t.dimension(1)),<sp/>radii(r.dimension(0)),<sp/>max_type(t.dimension(1))<sp/>{</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(c.dimension(0),c.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>(t.dimension(0),<sp/>t.dimension(1)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(r.dimension(0)),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>(t.dimension(1))<sp/>{</highlight></codeline>
 <codeline lineno="170"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(c);</highlight></codeline>
 <codeline lineno="171"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyFrom(t);</highlight></codeline>
 <codeline lineno="172"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(r);</highlight></codeline>
 <codeline lineno="173"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="174"><highlight class="normal"></highlight></codeline>
 <codeline lineno="175"><highlight class="normal"></highlight></codeline>
-<codeline lineno="176" refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types):</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/>coords(rec.coords.dimension(0)+lig.coords.dimension(0),<sp/>3),</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"><sp/><sp/>type_index(rec.type_index.dimension(0)+lig.type_index.dimension(0)),</highlight></codeline>
-<codeline lineno="179"><highlight class="normal"><sp/><sp/>type_vector(rec.type_vector.dimension(0)+lig.type_vector.dimension(0),<sp/>rec.type_vector.dimension(1)),</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"><sp/><sp/>radii(rec.radii.dimension(0)+lig.radii.dimension(0))<sp/>{</highlight></codeline>
+<codeline lineno="176" refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet::CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types):</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0),<sp/>3),</highlight></codeline>
+<codeline lineno="178"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0)),</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0),<sp/>rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1)),</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.dimension(0))<sp/>{</highlight></codeline>
 <codeline lineno="181"><highlight class="normal"></highlight></codeline>
 <codeline lineno="182"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" kindref="member">mergeInto</ref>(rec,<sp/>lig,<sp/>unique_index_types);</highlight></codeline>
 <codeline lineno="183"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="184"><highlight class="normal"></highlight></codeline>
 <codeline lineno="185"><highlight class="normal"></highlight></codeline>
-<codeline lineno="187" refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">CoordinateSet::make_vector_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_dummy_type,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>type_radii)<sp/>{</highlight></codeline>
+<codeline lineno="187" refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">CoordinateSet::make_vector_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_dummy_type,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>type_radii)<sp/>{</highlight></codeline>
 <codeline lineno="188"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.size();</highlight></codeline>
 <codeline lineno="189"><highlight class="normal"></highlight></codeline>
 <codeline lineno="190"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_radii.size()<sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>type_radii.size()<sp/>!=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>radii<sp/>size<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(type_radii.size())<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>equal<sp/>max<sp/>type<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>));</highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>radii<sp/>size<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(type_radii.size())<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>equal<sp/>max<sp/>type<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>));</highlight></codeline>
 <codeline lineno="192"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="193"><highlight class="normal"></highlight></codeline>
 <codeline lineno="194"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(include_dummy_type)</highlight></codeline>
@@ -376,20 +417,20 @@
 <codeline lineno="211"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="212"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="213"><highlight class="normal"></highlight></codeline>
-<codeline lineno="214" refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" refkind="member"><highlight class="normal">float3<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">CoordinateSet::center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="215"><highlight class="normal"><sp/><sp/>float3<sp/>ret<sp/>=<sp/>make_float3(0,0,0);</highlight></codeline>
+<codeline lineno="214" refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" refkind="member"><highlight class="normal"><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">CoordinateSet::center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="215"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>ret<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,0,0);</highlight></codeline>
 <codeline lineno="216"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);</highlight></codeline>
 <codeline lineno="217"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
 <codeline lineno="218"><highlight class="normal"></highlight></codeline>
 <codeline lineno="219"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu();<sp/></highlight><highlight class="comment">//todo,<sp/>gpuize</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="220"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.x<sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,0);</highlight></codeline>
-<codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.y<sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,1);</highlight></codeline>
-<codeline lineno="223"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.z<sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,2);</highlight></codeline>
+<codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,0);</highlight></codeline>
+<codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,1);</highlight></codeline>
+<codeline lineno="223"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>(i,2);</highlight></codeline>
 <codeline lineno="224"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="225"><highlight class="normal"><sp/><sp/>ret.x<sp/>/=<sp/>N;</highlight></codeline>
-<codeline lineno="226"><highlight class="normal"><sp/><sp/>ret.y<sp/>/=<sp/>N;</highlight></codeline>
-<codeline lineno="227"><highlight class="normal"><sp/><sp/>ret.z<sp/>/=<sp/>N;</highlight></codeline>
+<codeline lineno="225"><highlight class="normal"><sp/><sp/>ret.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>/=<sp/>N;</highlight></codeline>
+<codeline lineno="226"><highlight class="normal"><sp/><sp/>ret.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>/=<sp/>N;</highlight></codeline>
+<codeline lineno="227"><highlight class="normal"><sp/><sp/>ret.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>/=<sp/>N;</highlight></codeline>
 <codeline lineno="228"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
 <codeline lineno="229"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="230"><highlight class="normal"></highlight></codeline>
@@ -407,14 +448,14 @@
 <codeline lineno="242"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="243"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="244"><highlight class="normal"></highlight></codeline>
-<codeline lineno="245" refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" kindref="member">CoordinateSet::size_like</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>s)<sp/>{</highlight></codeline>
+<codeline lineno="245" refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" kindref="member">CoordinateSet::size_like</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>s)<sp/>{</highlight></codeline>
 <codeline lineno="246"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.resized(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0),<sp/>3);</highlight></codeline>
 <codeline lineno="247"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.resized(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0));</highlight></codeline>
 <codeline lineno="248"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.resized(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0),<sp/>s.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1));</highlight></codeline>
 <codeline lineno="249"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.resized(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.dimension(0));</highlight></codeline>
 <codeline lineno="250"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="251"><highlight class="normal"></highlight></codeline>
-<codeline lineno="252" refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" kindref="member">CoordinateSet::copyInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>s)<sp/>{</highlight></codeline>
+<codeline lineno="252" refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" kindref="member">CoordinateSet::copyInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>s)<sp/>{</highlight></codeline>
 <codeline lineno="253"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" kindref="member">size_like</ref>(s);</highlight></codeline>
 <codeline lineno="254"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>);</highlight></codeline>
 <codeline lineno="255"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyFrom(s.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>);</highlight></codeline>
@@ -425,7 +466,7 @@
 <codeline lineno="260"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/>s.<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref>;</highlight></codeline>
 <codeline lineno="261"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="262"><highlight class="normal"></highlight></codeline>
-<codeline lineno="263" refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" kindref="member">CoordinateSet::mergeInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)<sp/>{</highlight></codeline>
+<codeline lineno="263" refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" kindref="member">CoordinateSet::mergeInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)<sp/>{</highlight></codeline>
 <codeline lineno="264"><highlight class="normal"></highlight></codeline>
 <codeline lineno="265"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.resized(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0),<sp/>3);</highlight></codeline>
 <codeline lineno="266"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.resized(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0)+lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0));</highlight></codeline>
@@ -439,107 +480,108 @@
 <codeline lineno="274"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1)<sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1))<sp/>{</highlight></codeline>
 <codeline lineno="275"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>vectors<sp/>are<sp/>incompatible<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="276"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="277"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()<sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()<sp/>||<sp/>rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>()<sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="278"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Incompatible<sp/>types<sp/>when<sp/>combining<sp/>coodinate<sp/>sets&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="279"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="280"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="281"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
-<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>+<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;</highlight></codeline>
-<codeline lineno="283"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>max(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>,lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>);</highlight></codeline>
-<codeline lineno="285"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>)</highlight></codeline>
-<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>vectors<sp/>are<sp/>incompatible<sp/>sizes,<sp/>weirdly&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//should<sp/>be<sp/>checked<sp/>above</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="288"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"></highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>);</highlight></codeline>
-<codeline lineno="291"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>);</highlight></codeline>
-<codeline lineno="292"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>);</highlight></codeline>
-<codeline lineno="293"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>);</highlight></codeline>
-<codeline lineno="294"><highlight class="normal"></highlight></codeline>
-<codeline lineno="295"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>);</highlight></codeline>
-<codeline lineno="296"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>);</highlight></codeline>
-<codeline lineno="297"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>);</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>);</highlight></codeline>
-<codeline lineno="299"><highlight class="normal"></highlight></codeline>
-<codeline lineno="300"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>{</highlight></codeline>
-<codeline lineno="301"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>gpuize</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isgpu<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.ongpu();</highlight></codeline>
-<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu();</highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NR;<sp/>i<sp/>&lt;<sp/>NR+NL;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]<sp/>+=<sp/>num_rec_types;</highlight></codeline>
-<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="307"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isgpu)<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.togpu();</highlight></codeline>
-<codeline lineno="308"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="309"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="310"><highlight class="normal"></highlight></codeline>
-<codeline lineno="311"><highlight class="normal"></highlight><highlight class="comment">//copy<sp/>w/index<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="312"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="313" refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>have<sp/>wrong<sp/>secondary<sp/>dimension<sp/>in<sp/>copyTo<sp/>(3<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)));</highlight></codeline>
-<codeline lineno="315"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyTo(c);</highlight></codeline>
-<codeline lineno="316"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyTo(t);</highlight></codeline>
-<codeline lineno="317"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyTo(r);</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret<sp/>/<sp/>3;</highlight></codeline>
-<codeline lineno="319"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="320"><highlight class="normal"></highlight></codeline>
-<codeline lineno="321"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>t,</highlight></codeline>
-<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="323"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="324"><highlight class="normal"></highlight></codeline>
-<codeline lineno="325"><highlight class="normal"></highlight><highlight class="comment">//copy<sp/>w/vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="326"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="327" refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="328"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>have<sp/>wrong<sp/>secondary<sp/>dimension<sp/>in<sp/>copyTo<sp/>(3<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)));</highlight></codeline>
-<codeline lineno="329"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyTo(c);</highlight></codeline>
-<codeline lineno="330"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyTo(r);</highlight></codeline>
-<codeline lineno="331"><highlight class="normal"></highlight></codeline>
-<codeline lineno="332"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1))<sp/>{</highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//copy<sp/>a<sp/>row<sp/>at<sp/>a<sp/>time</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="334"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>rows<sp/>=<sp/>min(t.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0));</highlight></codeline>
-<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>rows;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="336"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>dst(t[i]);</highlight></codeline>
-<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].copyTo(dst);</highlight></codeline>
-<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="339"><highlight class="normal"></highlight></codeline>
-<codeline lineno="340"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//straight<sp/>copy<sp/>is<sp/>fine</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyTo(t);</highlight></codeline>
-<codeline lineno="342"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="343"><highlight class="normal"></highlight></codeline>
-<codeline lineno="344"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret<sp/>/<sp/>3;</highlight></codeline>
-<codeline lineno="345"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="346"><highlight class="normal"></highlight></codeline>
-<codeline lineno="347"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="348"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="349"><highlight class="normal"></highlight></codeline>
+<codeline lineno="277"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">((rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()<sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>&amp;&amp;<sp/>(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>()<sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>()))<sp/>{</highlight></codeline>
+<codeline lineno="278"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//empty<sp/>coordsets<sp/>are<sp/>true<sp/>for<sp/>both,<sp/>so<sp/>and<sp/></highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Incompatible<sp/>types<sp/>when<sp/>combining<sp/>coodinate<sp/>sets&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="280"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="281"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
+<codeline lineno="283"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>+<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;</highlight></codeline>
+<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="285"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>max(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>,lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>);</highlight></codeline>
+<codeline lineno="286"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>!=<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>)</highlight></codeline>
+<codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>vectors<sp/>are<sp/>incompatible<sp/>sizes,<sp/>weirdly&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//should<sp/>be<sp/>checked<sp/>above</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="289"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="290"><highlight class="normal"></highlight></codeline>
+<codeline lineno="291"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>);</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>);</highlight></codeline>
+<codeline lineno="293"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>);</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyFrom(rec.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>);</highlight></codeline>
+<codeline lineno="295"><highlight class="normal"></highlight></codeline>
+<codeline lineno="296"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>);</highlight></codeline>
+<codeline lineno="297"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>);</highlight></codeline>
+<codeline lineno="298"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>);</highlight></codeline>
+<codeline lineno="299"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyInto(NR,<sp/>lig.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>);</highlight></codeline>
+<codeline lineno="300"><highlight class="normal"></highlight></codeline>
+<codeline lineno="301"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>{</highlight></codeline>
+<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>gpuize</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isgpu<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.ongpu();</highlight></codeline>
+<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu();</highlight></codeline>
+<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NR;<sp/>i<sp/>&lt;<sp/>NR+NL;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]<sp/>+=<sp/>num_rec_types;</highlight></codeline>
+<codeline lineno="307"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="308"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isgpu)<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.togpu();</highlight></codeline>
+<codeline lineno="309"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="310"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="311"><highlight class="normal"></highlight></codeline>
+<codeline lineno="312"><highlight class="normal"></highlight><highlight class="comment">//copy<sp/>w/index<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="313"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="314" refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="315"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>have<sp/>wrong<sp/>secondary<sp/>dimension<sp/>in<sp/>copyTo<sp/>(3<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)));</highlight></codeline>
+<codeline lineno="316"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyTo(c);</highlight></codeline>
+<codeline lineno="317"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.copyTo(t);</highlight></codeline>
+<codeline lineno="318"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyTo(r);</highlight></codeline>
+<codeline lineno="319"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret<sp/>/<sp/>3;</highlight></codeline>
+<codeline lineno="320"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"></highlight></codeline>
+<codeline lineno="322"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>t,</highlight></codeline>
+<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="324"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="325"><highlight class="normal"></highlight></codeline>
+<codeline lineno="326"><highlight class="normal"></highlight><highlight class="comment">//copy<sp/>w/vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="327"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="328" refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="329"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>have<sp/>wrong<sp/>secondary<sp/>dimension<sp/>in<sp/>copyTo<sp/>(3<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(1)));</highlight></codeline>
+<codeline lineno="330"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.copyTo(c);</highlight></codeline>
+<codeline lineno="331"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.copyTo(r);</highlight></codeline>
+<codeline lineno="332"><highlight class="normal"></highlight></codeline>
+<codeline lineno="333"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1))<sp/>{</highlight></codeline>
+<codeline lineno="334"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//copy<sp/>a<sp/>row<sp/>at<sp/>a<sp/>time</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>rows<sp/>=<sp/>min(t.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0),<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0));</highlight></codeline>
+<codeline lineno="336"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>rows;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>dst(t[i]);</highlight></codeline>
+<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].copyTo(dst);</highlight></codeline>
+<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="340"><highlight class="normal"></highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//straight<sp/>copy<sp/>is<sp/>fine</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.copyTo(t);</highlight></codeline>
+<codeline lineno="343"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="344"><highlight class="normal"></highlight></codeline>
+<codeline lineno="345"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret<sp/>/<sp/>3;</highlight></codeline>
+<codeline lineno="346"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="347"><highlight class="normal"></highlight></codeline>
+<codeline lineno="348"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="349"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="350"><highlight class="normal"></highlight></codeline>
-<codeline lineno="351" refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" kindref="member">CoordinateSet::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="352"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>())</highlight></codeline>
-<codeline lineno="353"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>sum<sp/>output<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>types:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>()));</highlight></codeline>
-<codeline lineno="354"><highlight class="normal"></highlight></codeline>
-<codeline lineno="355"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(zerofirst)<sp/>sum.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="356"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>NT<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>();</highlight></codeline>
-<codeline lineno="357"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="358"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0);<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>round(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]);</highlight></codeline>
-<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&lt;<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>NT)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>out_of_range(</highlight><highlight class="stringliteral">&quot;Somehow<sp/>an<sp/>index<sp/>type<sp/>is<sp/>too<sp/>large<sp/>(internal<sp/>error).&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="362"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sum[t]<sp/>+=<sp/>1.0;</highlight></codeline>
-<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="364"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="365"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0);<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="366"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//i<sp/>is<sp/>atom<sp/>index</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>0,<sp/>m<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1);<sp/>j<sp/>&lt;<sp/>m;<sp/>j++)<sp/>{</highlight></codeline>
-<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//j<sp/>is<sp/>type<sp/>index</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="369"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>sum[j]<sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i][j];</highlight></codeline>
-<codeline lineno="370"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="372"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="373"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="374"><highlight class="normal"></highlight></codeline>
+<codeline lineno="351"><highlight class="normal"></highlight></codeline>
+<codeline lineno="352" refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" kindref="member">CoordinateSet::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="353"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>())</highlight></codeline>
+<codeline lineno="354"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>sum<sp/>output<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>types:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>()));</highlight></codeline>
+<codeline lineno="355"><highlight class="normal"></highlight></codeline>
+<codeline lineno="356"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(zerofirst)<sp/>sum.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>NT<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>();</highlight></codeline>
+<codeline lineno="358"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.dimension(0);<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>round(<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]);</highlight></codeline>
+<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&lt;<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="362"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>NT)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>out_of_range(</highlight><highlight class="stringliteral">&quot;Somehow<sp/>an<sp/>index<sp/>type<sp/>is<sp/>too<sp/>large<sp/>(internal<sp/>error).&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sum[t]<sp/>+=<sp/>1.0;</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="365"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="366"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(0);<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//i<sp/>is<sp/>atom<sp/>index</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>0,<sp/>m<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.dimension(1);<sp/>j<sp/>&lt;<sp/>m;<sp/>j++)<sp/>{</highlight></codeline>
+<codeline lineno="369"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//j<sp/>is<sp/>type<sp/>index</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="370"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>sum[j]<sp/>+=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i][j];</highlight></codeline>
+<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="373"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="374"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="375"><highlight class="normal"></highlight></codeline>
-<codeline lineno="376"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="376"><highlight class="normal"></highlight></codeline>
+<codeline lineno="377"><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/coordinateset.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/coordinateset_8cu.xml b/docs/cpp/xml/coordinateset_8cu.xml
index e3c89912..0db2e3a0 100644
--- a/docs/cpp/xml/coordinateset_8cu.xml
+++ b/docs/cpp/xml/coordinateset_8cu.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="coordinateset_8cu" kind="file" language="C++">
     <compoundname>coordinateset.cu</compoundname>
     <briefdescription>
@@ -67,6 +67,6 @@
 <codeline></codeline>
 <codeline><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/coordinateset.cu"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cu"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/coordinateset_8h.xml b/docs/cpp/xml/coordinateset_8h.xml
index 245698c2..9db18098 100644
--- a/docs/cpp/xml/coordinateset_8h.xml
+++ b/docs/cpp/xml/coordinateset_8h.xml
@@ -1,147 +1,204 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="coordinateset_8h" kind="file" language="C++">
     <compoundname>coordinateset.h</compoundname>
     <includes local="no">vector</includes>
     <includes local="no">openbabel/mol.h</includes>
+    <includes local="no">boost/serialization/access.hpp</includes>
     <includes refid="managed__grid_8h" local="yes">libmolgrid/managed_grid.h</includes>
+    <includes refid="string__cache_8h" local="yes">libmolgrid/string_cache.h</includes>
     <includedby refid="coord__cache_8h" local="yes">coord_cache.h</includedby>
+    <includedby refid="coordinateset_8cpp" local="yes">coordinateset.cpp</includedby>
     <includedby refid="example_8h" local="yes">example.h</includedby>
     <includedby refid="example__extractor_8h" local="yes">example_extractor.h</includedby>
     <includedby refid="grid__interpolater_8h" local="yes">grid_interpolater.h</includedby>
     <includedby refid="grid__maker_8h" local="yes">grid_maker.h</includedby>
-    <includedby refid="coordinateset_8cpp" local="yes">coordinateset.cpp</includedby>
     <incdepgraph>
-      <node id="7">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
       <node id="19">
-        <label>cuda_runtime.h</label>
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
       </node>
-      <node id="11">
-        <label>cassert</label>
+      <node id="1">
+        <label>coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
       </node>
-      <node id="8">
+      <node id="12">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="18">
-        <label>random</label>
-      </node>
-      <node id="2">
-        <label>vector</label>
-      </node>
-      <node id="6">
-        <label>utility</label>
-      </node>
-      <node id="13">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="5" relation="include">
+      <node id="22">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
       </node>
-      <node id="12">
-        <label>iostream</label>
-      </node>
-      <node id="16">
-        <label>cuda.h</label>
-      </node>
-      <node id="15">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="10">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="4">
+      <node id="5">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="5" relation="include">
-        </childnode>
         <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-      </node>
-      <node id="9">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="18" relation="include">
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+      </node>
+      <node id="24">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
       </node>
+      <node id="9">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="13">
+        <label>boost/multi_array.hpp</label>
+      </node>
       <node id="14">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="4">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="11">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="10">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="15">
+        <label>cassert</label>
+      </node>
+      <node id="6">
+        <label>cstdlib</label>
+      </node>
+      <node id="17">
         <label>cstring</label>
       </node>
+      <node id="16">
+        <label>iostream</label>
+      </node>
+      <node id="21">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="7">
+        <label>memory</label>
+      </node>
+      <node id="3">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="23">
+        <label>random</label>
+      </node>
+      <node id="18">
+        <label>stdexcept</label>
+      </node>
+      <node id="20">
+        <label>string</label>
+      </node>
+      <node id="25">
+        <label>unordered_set</label>
+      </node>
+      <node id="8">
+        <label>utility</label>
+      </node>
+      <node id="2">
+        <label>vector</label>
+      </node>
+    </incdepgraph>
+    <invincdepgraph>
+      <node id="2">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+      </node>
       <node id="1">
         <label>coordinateset.h</label>
         <link refid="coordinateset_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>memory</label>
-      </node>
-    </incdepgraph>
-    <invincdepgraph>
-      <node id="3">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
-      <node id="10">
+      <node id="11">
         <label>example.h</label>
         <link refid="example_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
         <childnode refid="13" relation="include">
         </childnode>
@@ -149,124 +206,110 @@
         </childnode>
         <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
       </node>
-      <node id="13">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
-        <childnode refid="14" relation="include">
+      <node id="5">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="16">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-      </node>
-      <node id="11">
-        <label>exampleref_providers.h</label>
-        <link refid="exampleref__providers_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
+      <node id="4">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
+      <node id="8">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
         <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="4">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
+      <node id="13">
+        <label>exampleref_providers.h</label>
+        <link refid="exampleref__providers_8h"/>
         <childnode refid="5" relation="include">
         </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
       </node>
       <node id="15">
-        <label>grid_maker.h</label>
-        <link refid="grid__maker_8h"/>
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
         <childnode refid="16" relation="include">
         </childnode>
       </node>
-      <node id="18">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="6">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="7" relation="include">
+      <node id="17">
+        <label>grid_maker.h</label>
+        <link refid="grid__maker_8h"/>
+        <childnode refid="18" relation="include">
         </childnode>
       </node>
       <node id="19">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="12">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
-      </node>
-      <node id="14">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
-      <node id="17">
         <label>transform.h</label>
         <link refid="transform_8h"/>
-        <childnode refid="13" relation="include">
-        </childnode>
         <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="9">
+      <node id="3">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="21">
+      <node id="10">
         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
       </node>
-      <node id="5">
+      <node id="12">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
+      <node id="6">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="7">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="9">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
+      <node id="14">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="16">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="18">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
       <node id="20">
-        <label>example.cpp</label>
-        <link refid="example_8cpp"/>
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
       </node>
-      <node id="1">
-        <label>coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="21" relation="include">
-        </childnode>
+      <node id="21">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
     <innerclass refid="structlibmolgrid_1_1CoordinateSet" prot="public">libmolgrid::CoordinateSet</innerclass>
@@ -277,8 +320,8 @@
 <para>Class for holding typed atomic coordinates. </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="4"><highlight class="comment">/*</highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="4"><highlight class="normal"></highlight><highlight class="comment">/*</highlight></codeline>
 <codeline lineno="5"><highlight class="comment"><sp/>*<sp/><sp/>Created<sp/>on:<sp/>Mar<sp/>22,<sp/>2019</highlight></codeline>
 <codeline lineno="6"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>Author:<sp/>dkoes</highlight></codeline>
 <codeline lineno="7"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
@@ -289,101 +332,127 @@
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/mol.h&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="managed__grid_8h" kindref="compound">libmolgrid/managed_grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/serialization/access.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight></codeline>
-<codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight></codeline>
-<codeline lineno="19"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">AtomTyper;</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_CoordinateSet</highlight></codeline>
-<codeline lineno="29" refid="structlibmolgrid_1_1CoordinateSet" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>{</highlight></codeline>
-<codeline lineno="30" refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" refkind="member"><highlight class="normal"><sp/><sp/>MGrid2f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>{0,3};<sp/></highlight><highlight class="comment">//coordinates</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="31" refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" refkind="member"><highlight class="normal"><sp/><sp/>MGrid1f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>{0};<sp/></highlight><highlight class="comment">//this<sp/>should<sp/>be<sp/>integer</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="32" refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" refkind="member"><highlight class="normal"><sp/><sp/>MGrid2f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>{0,0};</highlight></codeline>
-<codeline lineno="33" refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" refkind="member"><highlight class="normal"><sp/><sp/>MGrid1f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>{0};<sp/></highlight></codeline>
-<codeline lineno="34" refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>0;<sp/><sp/></highlight><highlight class="comment">//for<sp/>indexed<sp/>types,<sp/>non-inclusive<sp/>max</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="35" refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;<sp/></highlight></codeline>
-<codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="37" refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>()<sp/>{}</highlight></codeline>
-<codeline lineno="38"><highlight class="normal"></highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(OpenBabel::OBMol<sp/>*mol,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref>&amp;<sp/>typer);</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(OpenBabel::OBMol<sp/>*mol);<sp/></highlight><highlight class="comment">//use<sp/>defaultGninaLigandTypes</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="42"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
-<codeline lineno="46"><highlight class="normal"></highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
-<codeline lineno="50"><highlight class="normal"></highlight></codeline>
-<codeline lineno="52"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r);</highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="managed__grid_8h" kindref="compound">libmolgrid/managed_grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="string__cache_8h" kindref="compound">libmolgrid/string_cache.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"></highlight></codeline>
+<codeline lineno="22"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref>;</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_CoordinateSet</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="32" refid="structlibmolgrid_1_1CoordinateSet" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref><sp/>{</highlight></codeline>
+<codeline lineno="33" refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" refkind="member"><highlight class="normal"><sp/><sp/>MGrid2f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>{0,3};<sp/></highlight><highlight class="comment">//coordinates</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="34" refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" refkind="member"><highlight class="normal"><sp/><sp/>MGrid1f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>{0};<sp/></highlight><highlight class="comment">//this<sp/>should<sp/>be<sp/>integer</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="35" refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" refkind="member"><highlight class="normal"><sp/><sp/>MGrid2f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>{0,0};</highlight></codeline>
+<codeline lineno="36" refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" refkind="member"><highlight class="normal"><sp/><sp/>MGrid1f<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>{0};<sp/></highlight></codeline>
+<codeline lineno="37" refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>0;<sp/><sp/></highlight><highlight class="comment">//for<sp/>indexed<sp/>types,<sp/>non-inclusive<sp/>max</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="38" refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;<sp/></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"></highlight></codeline>
+<codeline lineno="40" refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight></codeline>
+<codeline lineno="43" refid="structlibmolgrid_1_1CoordinateSet_1a719045b5fd0daf9c088757c8fc472faa" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a719045b5fd0daf9c088757c8fc472faa" kindref="member">CoordinateSet</ref>(OpenBabel::OBMol<sp/>*mol,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1AtomTyper" kindref="compound">AtomTyper</ref>&amp;<sp/>typer);</highlight></codeline>
+<codeline lineno="44" refid="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5" kindref="member">CoordinateSet</ref>(OpenBabel::OBMol<sp/>*mol);<sp/></highlight><highlight class="comment">//use<sp/>defaultGninaLigandTypes</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="45"><highlight class="normal"></highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;int&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt);</highlight></codeline>
 <codeline lineno="53"><highlight class="normal"></highlight></codeline>
-<codeline lineno="55"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>cr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>r);</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>cr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>r);</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"></highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"></highlight></codeline>
-<codeline lineno="62"><highlight class="normal"></highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"></highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"></highlight></codeline>
-<codeline lineno="81" refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.size()<sp/>&gt;<sp/>0<sp/>||<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size()<sp/>==<sp/>0;<sp/>}</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float3&gt;&amp;<sp/>c,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>r);</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"></highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>cr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2f&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>r);</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>cr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid2fCUDA&amp;<sp/>t,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1fCUDA&amp;<sp/>r);</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"></highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"></highlight></codeline>
+<codeline lineno="65"><highlight class="normal"></highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"></highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>c,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>t,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="82"><highlight class="normal"></highlight></codeline>
-<codeline lineno="84" refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.size()<sp/>&gt;<sp/>0<sp/>||<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size()<sp/>==<sp/>0;<sp/><sp/>}</highlight></codeline>
+<codeline lineno="84" refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.size()<sp/>&gt;<sp/>0<sp/>||<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size()<sp/>==<sp/>0;<sp/>}</highlight></codeline>
 <codeline lineno="85"><highlight class="normal"></highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_CoordinateSet_make_vector_types</highlight></codeline>
-<codeline lineno="91"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">make_vector_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_dummy_type=</highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>type_radii<sp/>=<sp/>std::vector&lt;float&gt;());</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="94" refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="87" refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.size()<sp/>&gt;<sp/>0<sp/>||<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.size()<sp/>==<sp/>0;<sp/><sp/>}</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"></highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_CoordinateSet_make_vector_types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" kindref="member">make_vector_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>include_dummy_type=</highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;float&gt;&amp;<sp/>type_radii<sp/>=<sp/>std::vector&lt;float&gt;());</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"></highlight></codeline>
-<codeline lineno="97" refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" kindref="member">set_num_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>maxt;<sp/>}</highlight></codeline>
+<codeline lineno="97" refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;<sp/>}</highlight></codeline>
 <codeline lineno="98"><highlight class="normal"></highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"></highlight></codeline>
-<codeline lineno="104" refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);<sp/>}</highlight></codeline>
+<codeline lineno="100" refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" kindref="member">set_num_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>=<sp/>maxt;<sp/>}</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"></highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="104" refid="structlibmolgrid_1_1CoordinateSet_1abdefa3470ca1e88655974b3f462e2c4a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1abdefa3470ca1e88655974b3f462e2c4a" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>zerofirst=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="105"><highlight class="normal"></highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/>float3<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">center</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="107" refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);<sp/>}</highlight></codeline>
 <codeline lineno="108"><highlight class="normal"></highlight></codeline>
-<codeline lineno="109" refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" kindref="member">togpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>copy=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.togpu(copy);}</highlight></codeline>
-<codeline lineno="110" refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" kindref="member">tocpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>copy=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.tocpu(copy);}</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" kindref="member">center</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="111"><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//test<sp/>for<sp/>pointer<sp/>equality,<sp/>not<sp/>particularly<sp/>useful,<sp/>but<sp/>needed<sp/>by<sp/>boost::python</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="113" refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rhs)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref></highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>;</highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"></highlight></codeline>
-<codeline lineno="119" refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.clone();</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.clone();</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.clone();</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.clone();</highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"></highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" kindref="member">size_like</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>s);<sp/></highlight></codeline>
+<codeline lineno="112" refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" kindref="member">togpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>copy=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.togpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.togpu(copy);}</highlight></codeline>
+<codeline lineno="113" refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" kindref="member">tocpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>copy=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/>{<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.tocpu(copy);<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.tocpu(copy);}</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"></highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//test<sp/>for<sp/>pointer<sp/>equality,<sp/>not<sp/>particularly<sp/>useful,<sp/>but<sp/>needed<sp/>by<sp/>boost::python</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="116" refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref>&amp;<sp/>rhs)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref></highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>;</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"></highlight></codeline>
+<codeline lineno="122" refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.clone();</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.clone();</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.clone();</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/>ret.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.clone();</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="130"><highlight class="normal"></highlight></codeline>
-<codeline lineno="132"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" kindref="member">copyInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref>);</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" kindref="member">size_like</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>s);<sp/></highlight></codeline>
 <codeline lineno="133"><highlight class="normal"></highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" kindref="member">mergeInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" kindref="member">copyInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref>);</highlight></codeline>
 <codeline lineno="136"><highlight class="normal"></highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" kindref="member">dump</ref>(std::ostream&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="139"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"></highlight></codeline>
-<codeline lineno="141"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="143"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="145"><highlight class="normal"></highlight></codeline>
-<codeline lineno="146"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"></highlight></codeline>
-<codeline lineno="148"><highlight class="normal"></highlight></codeline>
-<codeline lineno="149"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>COORDINATESET_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" kindref="member">mergeInto</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>rec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>lig,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"></highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" kindref="member">dump</ref>(std::ostream&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"></highlight></codeline>
+<codeline lineno="143" refid="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" kindref="member">boost::serialization::access</ref>;</highlight></codeline>
+<codeline lineno="144" refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Archive&gt;<sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" kindref="member">serialize</ref>(Archive<sp/>&amp;ar,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>version)<sp/>{</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/>ar<sp/>&amp;<sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>;</highlight></codeline>
+<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/>ar<sp/>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>;<sp/></highlight></codeline>
+<codeline lineno="147"><highlight class="normal"><sp/><sp/>ar<sp/>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>;</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/>ar<sp/>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>;</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/>ar<sp/>&amp;<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"></highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(Archive::is_saving::value)<sp/><sp/>{</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>tmp;</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>tmp<sp/>=<sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref>;</highlight></codeline>
+<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/>ar<sp/>&amp;<sp/>tmp;</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//reading</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/>std::string<sp/>tmp;</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/>ar<sp/>&amp;<sp/>tmp;</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(tmp.length()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kindref="member">src</ref><sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.get(tmp);</highlight></codeline>
+<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/>}<sp/><sp/></highlight></codeline>
+<codeline lineno="165"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight></codeline>
+<codeline lineno="167"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>2,<sp/>false&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>false&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="170"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" kindref="member">CoordinateSet::copyTo</ref>(Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>c,<sp/>Grid&lt;float,<sp/>2,<sp/>true&gt;&amp;<sp/>t,<sp/>Grid&lt;float,<sp/>1,<sp/>true&gt;&amp;<sp/>r)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="171"><highlight class="normal"></highlight></codeline>
+<codeline lineno="172"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"></highlight></codeline>
+<codeline lineno="174"><highlight class="normal"></highlight></codeline>
+<codeline lineno="175"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>COORDINATESET_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a.xml b/docs/cpp/xml/dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a.xml
index f5676666..d69c46b7 100644
--- a/docs/cpp/xml/dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a.xml
+++ b/docs/cpp/xml/dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a" kind="dir">
     <compoundname>libmolgrid</compoundname>
     <innerfile refid="atom__typer_8h">atom_typer.h</innerfile>
@@ -18,12 +18,14 @@
     <innerfile refid="grid__maker_8h">grid_maker.h</innerfile>
     <innerfile refid="libmolgrid_8h">libmolgrid.h</innerfile>
     <innerfile refid="managed__grid_8h">managed_grid.h</innerfile>
+    <innerfile refid="metal__context_8h">metal_context.h</innerfile>
     <innerfile refid="quaternion_8h">quaternion.h</innerfile>
+    <innerfile refid="string__cache_8h">string_cache.h</innerfile>
     <innerfile refid="transform_8h">transform.h</innerfile>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/dir_68267d1309a1af8e8297ef4c3efbcdba.xml b/docs/cpp/xml/dir_68267d1309a1af8e8297ef4c3efbcdba.xml
index 487e9c4d..92958b78 100644
--- a/docs/cpp/xml/dir_68267d1309a1af8e8297ef4c3efbcdba.xml
+++ b/docs/cpp/xml/dir_68267d1309a1af8e8297ef4c3efbcdba.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="dir_68267d1309a1af8e8297ef4c3efbcdba" kind="dir">
     <compoundname>src</compoundname>
     <innerfile refid="atom__typer_8cpp">atom_typer.cpp</innerfile>
@@ -18,12 +18,13 @@
     <innerfile refid="grid__maker_8cpp">grid_maker.cpp</innerfile>
     <innerfile refid="grid__maker_8cu">grid_maker.cu</innerfile>
     <innerfile refid="libmolgrid_8cpp">libmolgrid.cpp</innerfile>
+    <innerfile refid="string__cache_8cpp">string_cache.cpp</innerfile>
     <innerfile refid="transform_8cpp">transform.cpp</innerfile>
     <innerfile refid="transform_8cu">transform.cu</innerfile>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/src/"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/dir_d44c64559bbebec7f509842c48db8b23.xml b/docs/cpp/xml/dir_d44c64559bbebec7f509842c48db8b23.xml
index 7f9bbf51..c65f2934 100644
--- a/docs/cpp/xml/dir_d44c64559bbebec7f509842c48db8b23.xml
+++ b/docs/cpp/xml/dir_d44c64559bbebec7f509842c48db8b23.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="dir_d44c64559bbebec7f509842c48db8b23" kind="dir">
     <compoundname>include</compoundname>
     <innerdir refid="dir_25b2ec8b9a8f5bcdcf0aa46bbf328d5a">libmolgrid</innerdir>
@@ -7,6 +7,6 @@
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/doxyfile.xsd b/docs/cpp/xml/doxyfile.xsd
new file mode 100644
index 00000000..ffbe15e2
--- /dev/null
+++ b/docs/cpp/xml/doxyfile.xsd
@@ -0,0 +1,360 @@
+<?xml version='1.0' encoding='utf-8' ?>
+<xsd:schema xmlns:xsd="http://www.w3.org/2001/XMLSchema">
+  <xsd:import namespace="http://www.w3.org/XML/1998/namespace" schemaLocation="xml.xsd"/>
+
+  <xsd:element name="doxyfile" type="DoxygenFileType"/>
+
+  <xsd:complexType name="DoxygenFileType">
+    <xsd:sequence>
+      <xsd:element name="option" type="OptionType" minOccurs="0" maxOccurs="unbounded"/>
+    </xsd:sequence>
+    <xsd:attribute name="version" type="xsd:string" use="required"/>
+    <xsd:attribute ref="xml:lang" use="required"/>
+  </xsd:complexType>
+
+  <xsd:complexType name="OptionType">
+    <xsd:sequence>
+      <xsd:element name="value" type="valueType" minOccurs="0" maxOccurs="unbounded"/>
+    </xsd:sequence>
+    <xsd:attribute name="id" type="idType" use="required"/>
+    <xsd:attribute name="default" type="defaultType" use="required"/>
+    <xsd:attribute name="type" type="typeType" use="required"/>
+  </xsd:complexType>
+
+  <xsd:simpleType name="valueType">
+    <xsd:restriction base="xsd:string">
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="idType">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="DOXYFILE_ENCODING"/>
+      <xsd:enumeration value="PROJECT_NAME"/>
+      <xsd:enumeration value="PROJECT_NUMBER"/>
+      <xsd:enumeration value="PROJECT_BRIEF"/>
+      <xsd:enumeration value="PROJECT_LOGO"/>
+      <xsd:enumeration value="PROJECT_ICON"/>
+      <xsd:enumeration value="OUTPUT_DIRECTORY"/>
+      <xsd:enumeration value="CREATE_SUBDIRS"/>
+      <xsd:enumeration value="CREATE_SUBDIRS_LEVEL"/>
+      <xsd:enumeration value="ALLOW_UNICODE_NAMES"/>
+      <xsd:enumeration value="OUTPUT_LANGUAGE"/>
+      <xsd:enumeration value="BRIEF_MEMBER_DESC"/>
+      <xsd:enumeration value="REPEAT_BRIEF"/>
+      <xsd:enumeration value="ABBREVIATE_BRIEF"/>
+      <xsd:enumeration value="ALWAYS_DETAILED_SEC"/>
+      <xsd:enumeration value="INLINE_INHERITED_MEMB"/>
+      <xsd:enumeration value="FULL_PATH_NAMES"/>
+      <xsd:enumeration value="STRIP_FROM_PATH"/>
+      <xsd:enumeration value="STRIP_FROM_INC_PATH"/>
+      <xsd:enumeration value="SHORT_NAMES"/>
+      <xsd:enumeration value="JAVADOC_AUTOBRIEF"/>
+      <xsd:enumeration value="JAVADOC_BANNER"/>
+      <xsd:enumeration value="QT_AUTOBRIEF"/>
+      <xsd:enumeration value="MULTILINE_CPP_IS_BRIEF"/>
+      <xsd:enumeration value="PYTHON_DOCSTRING"/>
+      <xsd:enumeration value="INHERIT_DOCS"/>
+      <xsd:enumeration value="SEPARATE_MEMBER_PAGES"/>
+      <xsd:enumeration value="TAB_SIZE"/>
+      <xsd:enumeration value="ALIASES"/>
+      <xsd:enumeration value="OPTIMIZE_OUTPUT_FOR_C"/>
+      <xsd:enumeration value="OPTIMIZE_OUTPUT_JAVA"/>
+      <xsd:enumeration value="OPTIMIZE_FOR_FORTRAN"/>
+      <xsd:enumeration value="OPTIMIZE_OUTPUT_VHDL"/>
+      <xsd:enumeration value="OPTIMIZE_OUTPUT_SLICE"/>
+      <xsd:enumeration value="EXTENSION_MAPPING"/>
+      <xsd:enumeration value="MARKDOWN_SUPPORT"/>
+      <xsd:enumeration value="MARKDOWN_STRICT"/>
+      <xsd:enumeration value="TOC_INCLUDE_HEADINGS"/>
+      <xsd:enumeration value="MARKDOWN_ID_STYLE"/>
+      <xsd:enumeration value="AUTOLINK_SUPPORT"/>
+      <xsd:enumeration value="AUTOLINK_IGNORE_WORDS"/>
+      <xsd:enumeration value="BUILTIN_STL_SUPPORT"/>
+      <xsd:enumeration value="CPP_CLI_SUPPORT"/>
+      <xsd:enumeration value="SIP_SUPPORT"/>
+      <xsd:enumeration value="IDL_PROPERTY_SUPPORT"/>
+      <xsd:enumeration value="DISTRIBUTE_GROUP_DOC"/>
+      <xsd:enumeration value="GROUP_NESTED_COMPOUNDS"/>
+      <xsd:enumeration value="SUBGROUPING"/>
+      <xsd:enumeration value="INLINE_GROUPED_CLASSES"/>
+      <xsd:enumeration value="INLINE_SIMPLE_STRUCTS"/>
+      <xsd:enumeration value="TYPEDEF_HIDES_STRUCT"/>
+      <xsd:enumeration value="LOOKUP_CACHE_SIZE"/>
+      <xsd:enumeration value="NUM_PROC_THREADS"/>
+      <xsd:enumeration value="TIMESTAMP"/>
+      <xsd:enumeration value="EXTRACT_ALL"/>
+      <xsd:enumeration value="EXTRACT_PRIVATE"/>
+      <xsd:enumeration value="EXTRACT_PRIV_VIRTUAL"/>
+      <xsd:enumeration value="EXTRACT_PACKAGE"/>
+      <xsd:enumeration value="EXTRACT_STATIC"/>
+      <xsd:enumeration value="EXTRACT_LOCAL_CLASSES"/>
+      <xsd:enumeration value="EXTRACT_LOCAL_METHODS"/>
+      <xsd:enumeration value="EXTRACT_ANON_NSPACES"/>
+      <xsd:enumeration value="RESOLVE_UNNAMED_PARAMS"/>
+      <xsd:enumeration value="HIDE_UNDOC_MEMBERS"/>
+      <xsd:enumeration value="HIDE_UNDOC_CLASSES"/>
+      <xsd:enumeration value="HIDE_UNDOC_NAMESPACES"/>
+      <xsd:enumeration value="HIDE_FRIEND_COMPOUNDS"/>
+      <xsd:enumeration value="HIDE_IN_BODY_DOCS"/>
+      <xsd:enumeration value="INTERNAL_DOCS"/>
+      <xsd:enumeration value="CASE_SENSE_NAMES"/>
+      <xsd:enumeration value="HIDE_SCOPE_NAMES"/>
+      <xsd:enumeration value="HIDE_COMPOUND_REFERENCE"/>
+      <xsd:enumeration value="SHOW_HEADERFILE"/>
+      <xsd:enumeration value="SHOW_INCLUDE_FILES"/>
+      <xsd:enumeration value="SHOW_GROUPED_MEMB_INC"/>
+      <xsd:enumeration value="FORCE_LOCAL_INCLUDES"/>
+      <xsd:enumeration value="INLINE_INFO"/>
+      <xsd:enumeration value="SORT_MEMBER_DOCS"/>
+      <xsd:enumeration value="SORT_BRIEF_DOCS"/>
+      <xsd:enumeration value="SORT_MEMBERS_CTORS_1ST"/>
+      <xsd:enumeration value="SORT_GROUP_NAMES"/>
+      <xsd:enumeration value="SORT_BY_SCOPE_NAME"/>
+      <xsd:enumeration value="STRICT_PROTO_MATCHING"/>
+      <xsd:enumeration value="GENERATE_TODOLIST"/>
+      <xsd:enumeration value="GENERATE_TESTLIST"/>
+      <xsd:enumeration value="GENERATE_BUGLIST"/>
+      <xsd:enumeration value="GENERATE_DEPRECATEDLIST"/>
+      <xsd:enumeration value="GENERATE_REQUIREMENTS"/>
+      <xsd:enumeration value="REQ_TRACEABILITY_INFO"/>
+      <xsd:enumeration value="ENABLED_SECTIONS"/>
+      <xsd:enumeration value="MAX_INITIALIZER_LINES"/>
+      <xsd:enumeration value="SHOW_USED_FILES"/>
+      <xsd:enumeration value="SHOW_FILES"/>
+      <xsd:enumeration value="SHOW_NAMESPACES"/>
+      <xsd:enumeration value="FILE_VERSION_FILTER"/>
+      <xsd:enumeration value="LAYOUT_FILE"/>
+      <xsd:enumeration value="CITE_BIB_FILES"/>
+      <xsd:enumeration value="EXTERNAL_TOOL_PATH"/>
+      <xsd:enumeration value="QUIET"/>
+      <xsd:enumeration value="WARNINGS"/>
+      <xsd:enumeration value="WARN_IF_UNDOCUMENTED"/>
+      <xsd:enumeration value="WARN_IF_DOC_ERROR"/>
+      <xsd:enumeration value="WARN_IF_INCOMPLETE_DOC"/>
+      <xsd:enumeration value="WARN_NO_PARAMDOC"/>
+      <xsd:enumeration value="WARN_IF_UNDOC_ENUM_VAL"/>
+      <xsd:enumeration value="WARN_LAYOUT_FILE"/>
+      <xsd:enumeration value="WARN_AS_ERROR"/>
+      <xsd:enumeration value="WARN_FORMAT"/>
+      <xsd:enumeration value="WARN_LINE_FORMAT"/>
+      <xsd:enumeration value="WARN_LOGFILE"/>
+      <xsd:enumeration value="INPUT"/>
+      <xsd:enumeration value="INPUT_ENCODING"/>
+      <xsd:enumeration value="INPUT_FILE_ENCODING"/>
+      <xsd:enumeration value="FILE_PATTERNS"/>
+      <xsd:enumeration value="RECURSIVE"/>
+      <xsd:enumeration value="EXCLUDE"/>
+      <xsd:enumeration value="EXCLUDE_SYMLINKS"/>
+      <xsd:enumeration value="EXCLUDE_PATTERNS"/>
+      <xsd:enumeration value="EXCLUDE_SYMBOLS"/>
+      <xsd:enumeration value="EXAMPLE_PATH"/>
+      <xsd:enumeration value="EXAMPLE_PATTERNS"/>
+      <xsd:enumeration value="EXAMPLE_RECURSIVE"/>
+      <xsd:enumeration value="IMAGE_PATH"/>
+      <xsd:enumeration value="INPUT_FILTER"/>
+      <xsd:enumeration value="FILTER_PATTERNS"/>
+      <xsd:enumeration value="FILTER_SOURCE_FILES"/>
+      <xsd:enumeration value="FILTER_SOURCE_PATTERNS"/>
+      <xsd:enumeration value="USE_MDFILE_AS_MAINPAGE"/>
+      <xsd:enumeration value="IMPLICIT_DIR_DOCS"/>
+      <xsd:enumeration value="FORTRAN_COMMENT_AFTER"/>
+      <xsd:enumeration value="SOURCE_BROWSER"/>
+      <xsd:enumeration value="INLINE_SOURCES"/>
+      <xsd:enumeration value="STRIP_CODE_COMMENTS"/>
+      <xsd:enumeration value="REFERENCED_BY_RELATION"/>
+      <xsd:enumeration value="REFERENCES_RELATION"/>
+      <xsd:enumeration value="REFERENCES_LINK_SOURCE"/>
+      <xsd:enumeration value="SOURCE_TOOLTIPS"/>
+      <xsd:enumeration value="USE_HTAGS"/>
+      <xsd:enumeration value="VERBATIM_HEADERS"/>
+      <xsd:enumeration value="ALPHABETICAL_INDEX"/>
+      <xsd:enumeration value="IGNORE_PREFIX"/>
+      <xsd:enumeration value="GENERATE_HTML"/>
+      <xsd:enumeration value="HTML_OUTPUT"/>
+      <xsd:enumeration value="HTML_FILE_EXTENSION"/>
+      <xsd:enumeration value="HTML_HEADER"/>
+      <xsd:enumeration value="HTML_FOOTER"/>
+      <xsd:enumeration value="HTML_STYLESHEET"/>
+      <xsd:enumeration value="HTML_EXTRA_STYLESHEET"/>
+      <xsd:enumeration value="HTML_EXTRA_FILES"/>
+      <xsd:enumeration value="HTML_COLORSTYLE"/>
+      <xsd:enumeration value="HTML_COLORSTYLE_HUE"/>
+      <xsd:enumeration value="HTML_COLORSTYLE_SAT"/>
+      <xsd:enumeration value="HTML_COLORSTYLE_GAMMA"/>
+      <xsd:enumeration value="HTML_DYNAMIC_MENUS"/>
+      <xsd:enumeration value="HTML_DYNAMIC_SECTIONS"/>
+      <xsd:enumeration value="HTML_CODE_FOLDING"/>
+      <xsd:enumeration value="HTML_COPY_CLIPBOARD"/>
+      <xsd:enumeration value="HTML_PROJECT_COOKIE"/>
+      <xsd:enumeration value="HTML_INDEX_NUM_ENTRIES"/>
+      <xsd:enumeration value="GENERATE_DOCSET"/>
+      <xsd:enumeration value="DOCSET_FEEDNAME"/>
+      <xsd:enumeration value="DOCSET_FEEDURL"/>
+      <xsd:enumeration value="DOCSET_BUNDLE_ID"/>
+      <xsd:enumeration value="DOCSET_PUBLISHER_ID"/>
+      <xsd:enumeration value="DOCSET_PUBLISHER_NAME"/>
+      <xsd:enumeration value="GENERATE_HTMLHELP"/>
+      <xsd:enumeration value="CHM_FILE"/>
+      <xsd:enumeration value="HHC_LOCATION"/>
+      <xsd:enumeration value="GENERATE_CHI"/>
+      <xsd:enumeration value="CHM_INDEX_ENCODING"/>
+      <xsd:enumeration value="BINARY_TOC"/>
+      <xsd:enumeration value="TOC_EXPAND"/>
+      <xsd:enumeration value="SITEMAP_URL"/>
+      <xsd:enumeration value="GENERATE_QHP"/>
+      <xsd:enumeration value="QCH_FILE"/>
+      <xsd:enumeration value="QHP_NAMESPACE"/>
+      <xsd:enumeration value="QHP_VIRTUAL_FOLDER"/>
+      <xsd:enumeration value="QHP_CUST_FILTER_NAME"/>
+      <xsd:enumeration value="QHP_CUST_FILTER_ATTRS"/>
+      <xsd:enumeration value="QHP_SECT_FILTER_ATTRS"/>
+      <xsd:enumeration value="QHG_LOCATION"/>
+      <xsd:enumeration value="GENERATE_ECLIPSEHELP"/>
+      <xsd:enumeration value="ECLIPSE_DOC_ID"/>
+      <xsd:enumeration value="DISABLE_INDEX"/>
+      <xsd:enumeration value="GENERATE_TREEVIEW"/>
+      <xsd:enumeration value="PAGE_OUTLINE_PANEL"/>
+      <xsd:enumeration value="FULL_SIDEBAR"/>
+      <xsd:enumeration value="ENUM_VALUES_PER_LINE"/>
+      <xsd:enumeration value="SHOW_ENUM_VALUES"/>
+      <xsd:enumeration value="TREEVIEW_WIDTH"/>
+      <xsd:enumeration value="EXT_LINKS_IN_WINDOW"/>
+      <xsd:enumeration value="OBFUSCATE_EMAILS"/>
+      <xsd:enumeration value="HTML_FORMULA_FORMAT"/>
+      <xsd:enumeration value="FORMULA_FONTSIZE"/>
+      <xsd:enumeration value="FORMULA_MACROFILE"/>
+      <xsd:enumeration value="USE_MATHJAX"/>
+      <xsd:enumeration value="MATHJAX_VERSION"/>
+      <xsd:enumeration value="MATHJAX_FORMAT"/>
+      <xsd:enumeration value="MATHJAX_RELPATH"/>
+      <xsd:enumeration value="MATHJAX_EXTENSIONS"/>
+      <xsd:enumeration value="MATHJAX_CODEFILE"/>
+      <xsd:enumeration value="SEARCHENGINE"/>
+      <xsd:enumeration value="SERVER_BASED_SEARCH"/>
+      <xsd:enumeration value="EXTERNAL_SEARCH"/>
+      <xsd:enumeration value="SEARCHENGINE_URL"/>
+      <xsd:enumeration value="SEARCHDATA_FILE"/>
+      <xsd:enumeration value="EXTERNAL_SEARCH_ID"/>
+      <xsd:enumeration value="EXTRA_SEARCH_MAPPINGS"/>
+      <xsd:enumeration value="GENERATE_LATEX"/>
+      <xsd:enumeration value="LATEX_OUTPUT"/>
+      <xsd:enumeration value="LATEX_CMD_NAME"/>
+      <xsd:enumeration value="MAKEINDEX_CMD_NAME"/>
+      <xsd:enumeration value="LATEX_MAKEINDEX_CMD"/>
+      <xsd:enumeration value="COMPACT_LATEX"/>
+      <xsd:enumeration value="PAPER_TYPE"/>
+      <xsd:enumeration value="EXTRA_PACKAGES"/>
+      <xsd:enumeration value="LATEX_HEADER"/>
+      <xsd:enumeration value="LATEX_FOOTER"/>
+      <xsd:enumeration value="LATEX_EXTRA_STYLESHEET"/>
+      <xsd:enumeration value="LATEX_EXTRA_FILES"/>
+      <xsd:enumeration value="PDF_HYPERLINKS"/>
+      <xsd:enumeration value="USE_PDFLATEX"/>
+      <xsd:enumeration value="LATEX_BATCHMODE"/>
+      <xsd:enumeration value="LATEX_HIDE_INDICES"/>
+      <xsd:enumeration value="LATEX_BIB_STYLE"/>
+      <xsd:enumeration value="LATEX_EMOJI_DIRECTORY"/>
+      <xsd:enumeration value="GENERATE_RTF"/>
+      <xsd:enumeration value="RTF_OUTPUT"/>
+      <xsd:enumeration value="COMPACT_RTF"/>
+      <xsd:enumeration value="RTF_HYPERLINKS"/>
+      <xsd:enumeration value="RTF_STYLESHEET_FILE"/>
+      <xsd:enumeration value="RTF_EXTENSIONS_FILE"/>
+      <xsd:enumeration value="RTF_EXTRA_FILES"/>
+      <xsd:enumeration value="GENERATE_MAN"/>
+      <xsd:enumeration value="MAN_OUTPUT"/>
+      <xsd:enumeration value="MAN_EXTENSION"/>
+      <xsd:enumeration value="MAN_SUBDIR"/>
+      <xsd:enumeration value="MAN_LINKS"/>
+      <xsd:enumeration value="GENERATE_XML"/>
+      <xsd:enumeration value="XML_OUTPUT"/>
+      <xsd:enumeration value="XML_PROGRAMLISTING"/>
+      <xsd:enumeration value="XML_NS_MEMB_FILE_SCOPE"/>
+      <xsd:enumeration value="GENERATE_DOCBOOK"/>
+      <xsd:enumeration value="DOCBOOK_OUTPUT"/>
+      <xsd:enumeration value="GENERATE_AUTOGEN_DEF"/>
+      <xsd:enumeration value="GENERATE_SQLITE3"/>
+      <xsd:enumeration value="SQLITE3_OUTPUT"/>
+      <xsd:enumeration value="SQLITE3_RECREATE_DB"/>
+      <xsd:enumeration value="GENERATE_PERLMOD"/>
+      <xsd:enumeration value="PERLMOD_LATEX"/>
+      <xsd:enumeration value="PERLMOD_PRETTY"/>
+      <xsd:enumeration value="PERLMOD_MAKEVAR_PREFIX"/>
+      <xsd:enumeration value="ENABLE_PREPROCESSING"/>
+      <xsd:enumeration value="MACRO_EXPANSION"/>
+      <xsd:enumeration value="EXPAND_ONLY_PREDEF"/>
+      <xsd:enumeration value="SEARCH_INCLUDES"/>
+      <xsd:enumeration value="INCLUDE_PATH"/>
+      <xsd:enumeration value="INCLUDE_FILE_PATTERNS"/>
+      <xsd:enumeration value="PREDEFINED"/>
+      <xsd:enumeration value="EXPAND_AS_DEFINED"/>
+      <xsd:enumeration value="SKIP_FUNCTION_MACROS"/>
+      <xsd:enumeration value="TAGFILES"/>
+      <xsd:enumeration value="GENERATE_TAGFILE"/>
+      <xsd:enumeration value="ALLEXTERNALS"/>
+      <xsd:enumeration value="EXTERNAL_GROUPS"/>
+      <xsd:enumeration value="EXTERNAL_PAGES"/>
+      <xsd:enumeration value="HIDE_UNDOC_RELATIONS"/>
+      <xsd:enumeration value="HAVE_DOT"/>
+      <xsd:enumeration value="DOT_NUM_THREADS"/>
+      <xsd:enumeration value="DOT_COMMON_ATTR"/>
+      <xsd:enumeration value="DOT_EDGE_ATTR"/>
+      <xsd:enumeration value="DOT_NODE_ATTR"/>
+      <xsd:enumeration value="DOT_FONTPATH"/>
+      <xsd:enumeration value="CLASS_GRAPH"/>
+      <xsd:enumeration value="COLLABORATION_GRAPH"/>
+      <xsd:enumeration value="GROUP_GRAPHS"/>
+      <xsd:enumeration value="UML_LOOK"/>
+      <xsd:enumeration value="UML_LIMIT_NUM_FIELDS"/>
+      <xsd:enumeration value="UML_MAX_EDGE_LABELS"/>
+      <xsd:enumeration value="DOT_UML_DETAILS"/>
+      <xsd:enumeration value="DOT_WRAP_THRESHOLD"/>
+      <xsd:enumeration value="TEMPLATE_RELATIONS"/>
+      <xsd:enumeration value="INCLUDE_GRAPH"/>
+      <xsd:enumeration value="INCLUDED_BY_GRAPH"/>
+      <xsd:enumeration value="CALL_GRAPH"/>
+      <xsd:enumeration value="CALLER_GRAPH"/>
+      <xsd:enumeration value="GRAPHICAL_HIERARCHY"/>
+      <xsd:enumeration value="DIRECTORY_GRAPH"/>
+      <xsd:enumeration value="DIR_GRAPH_MAX_DEPTH"/>
+      <xsd:enumeration value="DOT_IMAGE_FORMAT"/>
+      <xsd:enumeration value="INTERACTIVE_SVG"/>
+      <xsd:enumeration value="DOT_PATH"/>
+      <xsd:enumeration value="DOTFILE_DIRS"/>
+      <xsd:enumeration value="DIA_PATH"/>
+      <xsd:enumeration value="DIAFILE_DIRS"/>
+      <xsd:enumeration value="PLANTUML_JAR_PATH"/>
+      <xsd:enumeration value="PLANTUML_CFG_FILE"/>
+      <xsd:enumeration value="PLANTUML_INCLUDE_PATH"/>
+      <xsd:enumeration value="PLANTUMLFILE_DIRS"/>
+      <xsd:enumeration value="DOT_GRAPH_MAX_NODES"/>
+      <xsd:enumeration value="MAX_DOT_GRAPH_DEPTH"/>
+      <xsd:enumeration value="DOT_MULTI_TARGETS"/>
+      <xsd:enumeration value="GENERATE_LEGEND"/>
+      <xsd:enumeration value="DOT_CLEANUP"/>
+      <xsd:enumeration value="MSCGEN_TOOL"/>
+      <xsd:enumeration value="MSCFILE_DIRS"/>
+      <xsd:enumeration value="CLANG_ASSISTED_PARSING"/>
+      <xsd:enumeration value="CLANG_ADD_INC_PATHS"/>
+      <xsd:enumeration value="CLANG_OPTIONS"/>
+      <xsd:enumeration value="CLANG_DATABASE_PATH"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="defaultType">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="yes"/>
+      <xsd:enumeration value="no"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+  <xsd:simpleType name="typeType">
+    <xsd:restriction base="xsd:string">
+      <xsd:enumeration value="int"/>
+      <xsd:enumeration value="bool"/>
+      <xsd:enumeration value="string"/>
+      <xsd:enumeration value="stringlist"/>
+    </xsd:restriction>
+  </xsd:simpleType>
+
+</xsd:schema>
diff --git a/docs/cpp/xml/example_8cpp.xml b/docs/cpp/xml/example_8cpp.xml
index 7708a77d..b2911eeb 100644
--- a/docs/cpp/xml/example_8cpp.xml
+++ b/docs/cpp/xml/example_8cpp.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example_8cpp" kind="file" language="C++">
     <compoundname>example.cpp</compoundname>
     <includes local="no">fstream</includes>
@@ -7,119 +7,109 @@
     <includes local="no">string</includes>
     <includes local="no">unordered_set</includes>
     <includes local="no">boost/algorithm/string.hpp</includes>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
     <incdepgraph>
-      <node id="6">
-        <label>boost/algorithm/string.hpp</label>
+      <node id="7">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
       </node>
-      <node id="8">
+      <node id="14">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+      </node>
+      <node id="12">
         <label>libmolgrid/example.h</label>
         <link refid="example_8h"/>
-        <childnode refid="9" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
         </childnode>
       </node>
-      <node id="15">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="7">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="19">
-        <label>cassert</label>
-      </node>
-      <node id="16">
+      <node id="23">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
-        <childnode refid="17" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="11">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="4">
-        <label>string</label>
-      </node>
-      <node id="5">
-        <label>unordered_set</label>
-      </node>
-      <node id="2">
-        <label>fstream</label>
-      </node>
-      <node id="25">
-        <label>random</label>
-      </node>
-      <node id="9">
-        <label>vector</label>
-      </node>
-      <node id="14">
-        <label>utility</label>
-      </node>
-      <node id="20">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="13" relation="include">
+      <node id="27">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>iostream</label>
-      </node>
-      <node id="23">
-        <label>cuda.h</label>
-      </node>
-      <node id="22">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="18">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="12">
+      <node id="17">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-      </node>
-      <node id="17">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="24">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="25" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+      </node>
+      <node id="29">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -137,24 +127,71 @@
         </childnode>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
       </node>
+      <node id="6">
+        <label>boost/algorithm/string.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="24">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="25">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="16">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="22">
+        <label>boost/serialization/array.hpp</label>
+      </node>
       <node id="21">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="26">
+        <label>cassert</label>
+      </node>
+      <node id="18">
+        <label>cstdlib</label>
+      </node>
+      <node id="9">
         <label>cstring</label>
       </node>
+      <node id="2">
+        <label>fstream</label>
+      </node>
+      <node id="3">
+        <label>iostream</label>
+      </node>
+      <node id="11">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="8">
+        <label>memory</label>
+      </node>
+      <node id="15">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="28">
+        <label>random</label>
+      </node>
       <node id="10">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
+        <label>stdexcept</label>
+      </node>
+      <node id="4">
+        <label>string</label>
+      </node>
+      <node id="5">
+        <label>unordered_set</label>
+      </node>
+      <node id="19">
+        <label>utility</label>
       </node>
       <node id="13">
-        <label>memory</label>
+        <label>vector</label>
       </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -174,7 +211,7 @@
 <codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;string&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;unordered_set&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/algorithm/string.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight></codeline>
@@ -182,371 +219,377 @@
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">std;</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
-<codeline lineno="20" refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref><sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>;</highlight></codeline>
-<codeline lineno="21"><highlight class="normal"></highlight></codeline>
-<codeline lineno="22" refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">Example::num_coordinates</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="23"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/>N<sp/>+=<sp/>sets[i].coords.dimension(0);</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>N;</highlight></codeline>
-<codeline lineno="28"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"></highlight></codeline>
-<codeline lineno="30" refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">Example::num_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>+=<sp/>sets[i].max_type;</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>=<sp/>max(maxt,<sp/>sets[i].max_type);</highlight></codeline>
-<codeline lineno="37"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>maxt;</highlight></codeline>
-<codeline lineno="39"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"></highlight></codeline>
-<codeline lineno="41"><highlight class="normal"></highlight><highlight class="comment">//grid<sp/>version</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="42" refid="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(Grid2f&amp;<sp/>c,<sp/>Grid1f&amp;<sp/>t,<sp/>Grid1f&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="43"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>types;</highlight></codeline>
-<codeline lineno="46"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="20" refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">Example::num_coordinates</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="22"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/>N<sp/>+=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].coords.dimension(0);</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="25"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>N;</highlight></codeline>
+<codeline lineno="26"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"></highlight></codeline>
+<codeline lineno="28" refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">Example::num_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>+=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].max_type;</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>=<sp/>max(maxt,<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].max_type);</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>maxt;</highlight></codeline>
+<codeline lineno="37"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"></highlight><highlight class="comment">//grid<sp/>version</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="40" refid="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(Grid2f&amp;<sp/>c,<sp/>Grid1f&amp;<sp/>t,<sp/>Grid1f&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight></codeline>
+<codeline lineno="42"><highlight class="normal"><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>types;</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"></highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
 <codeline lineno="47"><highlight class="normal"></highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/>merge_coordinates(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>sizes</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(0)<sp/>!=<sp/>coords.size())<sp/>{</highlight></codeline>
-<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(c.dimension(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(coords.size()));</highlight></codeline>
-<codeline lineno="53"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="54"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(1)<sp/>!=<sp/>3)<sp/>{</highlight></codeline>
-<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>second<sp/>dimension<sp/>(3):<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(c.dimension(1)));</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.size()<sp/>!=<sp/>types.size())<sp/>{</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(t.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(types.size()));</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(r.size()<sp/>!=<sp/>radii.size())<sp/>{</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(r.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.size()));</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"></highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="65"><highlight class="normal"><sp/><sp/>memcpy(c.data(),<sp/>&amp;coords[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*coords.size());</highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/>memcpy(t.data(),<sp/>&amp;types[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*types.size());</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/>memcpy(r.data(),<sp/>&amp;radii[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*radii.size());</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>sizes</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="49"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(0)<sp/>!=<sp/>coords.size())<sp/>{</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(c.dimension(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(coords.size()));</highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(1)<sp/>!=<sp/>3)<sp/>{</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>second<sp/>dimension<sp/>(3):<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(c.dimension(1)));</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.size()<sp/>!=<sp/>types.size())<sp/>{</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(t.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(types.size()));</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(r.size()<sp/>!=<sp/>radii.size())<sp/>{</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(r.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.size()));</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"></highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/>memcpy(c.data(),<sp/>&amp;coords[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*coords.size());</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/>memcpy(t.data(),<sp/>&amp;types[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*types.size());</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/>memcpy(r.data(),<sp/>&amp;radii[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*radii.size());</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight></codeline>
+<codeline lineno="67"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="68"><highlight class="normal"></highlight></codeline>
-<codeline lineno="69"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"></highlight></codeline>
-<codeline lineno="71" refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;float&gt;&amp;<sp/>types,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>num_coordinates();</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"></highlight></codeline>
-<codeline lineno="74"><highlight class="normal"><sp/><sp/>coords.clear();</highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/>types.clear();</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/>radii.clear();</highlight></codeline>
+<codeline lineno="69" refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;float&gt;&amp;<sp/>types,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">num_coordinates</ref>();</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"></highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/>coords.clear();</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/>types.clear();</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"><sp/><sp/>radii.clear();</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"></highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()<sp/>&lt;=<sp/>start)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="77"><highlight class="normal"></highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets.size()<sp/>&lt;=<sp/>start)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"></highlight></codeline>
-<codeline lineno="80"><highlight class="normal"><sp/><sp/>coords.reserve(N);</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/>types.reserve(N);</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"><sp/><sp/>radii.reserve(N);</highlight></codeline>
-<codeline lineno="83"><highlight class="normal"></highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>info</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>toffset<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//amount<sp/>to<sp/>offset<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>s<sp/>=<sp/>start,<sp/>ns<sp/>=<sp/>sets.size();<sp/>s<sp/>&lt;<sp/>ns;<sp/>s++)<sp/>{</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>CS<sp/>=<sp/>sets[s];</highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;<sp/></highlight><highlight class="comment">//ignore<sp/>empties</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/>coords.reserve(N);</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/>types.reserve(N);</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/>radii.reserve(N);</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"></highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>info</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>toffset<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//amount<sp/>to<sp/>offset<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>s<sp/>=<sp/>start,<sp/>ns<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>s<sp/>&lt;<sp/>ns;<sp/>s++)<sp/>{</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>CS<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[s];</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;<sp/></highlight><highlight class="comment">//ignore<sp/>empties</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="88"><highlight class="normal"></highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>sets<sp/>do<sp/>not<sp/>have<sp/>compatible<sp/>index<sp/>types<sp/>for<sp/>merge.&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="90"><highlight class="normal"></highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>sets<sp/>do<sp/>not<sp/>have<sp/>compatible<sp/>index<sp/>types<sp/>for<sp/>merge.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>memcpy<sp/>this</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>cr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>[i];</highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coords.push_back(make_float3(cr[0],cr[1],cr[2]));</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>types.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]+toffset);</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radii.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>[i]);</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>toffset<sp/>+=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="102"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"></highlight></codeline>
-<codeline lineno="104"><highlight class="normal"></highlight><highlight class="comment">//grid<sp/>version<sp/>of<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="105" refid="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(Grid2f&amp;<sp/>c,<sp/>Grid2f&amp;<sp/>t,<sp/>Grid1f&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"></highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/>vector&lt;<sp/>vector&lt;float&gt;<sp/>&gt;<sp/>types;</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>memcpy<sp/>this</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>cr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>[i];</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coords.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(cr[0],cr[1],cr[2]));</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>types.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>[i]+toffset);</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radii.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>[i]);</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>toffset<sp/>+=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="100"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102"><highlight class="normal"></highlight><highlight class="comment">//grid<sp/>version<sp/>of<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="103" refid="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(Grid2f&amp;<sp/>c,<sp/>Grid2f&amp;<sp/>t,<sp/>Grid1f&amp;<sp/>r,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"></highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/>vector&lt;<sp/>vector&lt;float&gt;<sp/>&gt;<sp/>types;</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"></highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" kindref="member">merge_coordinates</ref>(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
 <codeline lineno="110"><highlight class="normal"></highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/>merge_coordinates(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
-<codeline lineno="112"><highlight class="normal"></highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(types.size()<sp/>==<sp/>0)</highlight></codeline>
-<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="115"><highlight class="normal"></highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>sizes</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(0)<sp/>!=<sp/>coords.size())<sp/>{</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(c.dimension(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(coords.size()));</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(1)<sp/>!=<sp/>3)<sp/>{</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>second<sp/>dimension<sp/>(3):<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(c.dimension(1)));</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.dimension(0)<sp/>!=<sp/>types.size())<sp/>{</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(t.dimension(0))+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(types.size()));</highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.dimension(1)<sp/>!=<sp/>types[0].size())<sp/>{</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(t.dimension(1))+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(types[0].size()));</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(r.size()<sp/>!=<sp/>radii.size())<sp/>{</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(r.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.size()));</highlight></codeline>
-<codeline lineno="131"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="132"><highlight class="normal"></highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="134"><highlight class="normal"><sp/><sp/>memcpy(c.data(),<sp/>&amp;coords[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(float3)*coords.size());</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/>memcpy(t.data(),<sp/>&amp;types[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*types.size());</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/>memcpy(r.data(),<sp/>&amp;radii[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*radii.size());</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(types.size()<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"></highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>sizes</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(0)<sp/>!=<sp/>coords.size())<sp/>{</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(c.dimension(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(coords.size()));</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.dimension(1)<sp/>!=<sp/>3)<sp/>{</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Coordinates<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>second<sp/>dimension<sp/>(3):<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(c.dimension(1)));</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.dimension(0)<sp/>!=<sp/>types.size())<sp/>{</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(t.dimension(0))+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(types.size()));</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t.dimension(1)<sp/>!=<sp/>types[0].size())<sp/>{</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Types<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(t.dimension(1))+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(types[0].size()));</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(r.size()<sp/>!=<sp/>radii.size())<sp/>{</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>do<sp/>not<sp/>have<sp/>correct<sp/>dimension:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(r.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.size()));</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"></highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/>memcpy(c.data(),<sp/>&amp;coords[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structfloat3" kindref="compound">float3</ref>)*coords.size());</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/>memcpy(t.data(),<sp/>&amp;types[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*types.size());</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"><sp/><sp/>memcpy(r.data(),<sp/>&amp;radii[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*radii.size());</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"></highlight></codeline>
+<codeline lineno="136"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="137"><highlight class="normal"></highlight></codeline>
-<codeline lineno="138"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="139"><highlight class="normal"></highlight></codeline>
-<codeline lineno="140" refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>types,</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"></highlight></codeline>
-<codeline lineno="143"><highlight class="normal"><sp/><sp/>coords.clear();</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/>types.clear();</highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/>radii.clear();</highlight></codeline>
+<codeline lineno="138" refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>types,</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"></highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/>coords.clear();</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/>types.clear();</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/>radii.clear();</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"></highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()<sp/>&lt;=<sp/>start)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="146"><highlight class="normal"></highlight></codeline>
-<codeline lineno="147"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets.size()<sp/>&lt;=<sp/>start)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="148"><highlight class="normal"></highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>num_coordinates();</highlight></codeline>
-<codeline lineno="150"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="151"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>type<sp/>vector<sp/>sizes<sp/>-<sp/>if<sp/>unique_index_types<sp/>is<sp/>true,<sp/>maxt<sp/>is<sp/>the<sp/>sum<sp/>of</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="152"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//the<sp/>number<sp/>of<sp/>types,<sp/>otherwise<sp/>it<sp/>is<sp/>the<sp/>max</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>+=<sp/>sets[i].max_type;</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>=<sp/>max(maxt,sets[i].max_type);</highlight></codeline>
-<codeline lineno="158"><highlight class="normal"></highlight></codeline>
-<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets[i].coords.dimension(0)<sp/>==<sp/>0)</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="161"><highlight class="normal"></highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!sets[i].has_vector_types())</highlight></codeline>
-<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>sets<sp/>do<sp/>not<sp/>have<sp/>compatible<sp/>vector<sp/>types<sp/>for<sp/>merge.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets[i].max_type<sp/>!=<sp/>sets[i].type_vector.dimension(1))<sp/>{</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>set<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(i)+</highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>have<sp/>consistent<sp/>max_type/vector<sp/>type<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"></highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/>coords.reserve(N);</highlight></codeline>
-<codeline lineno="170"><highlight class="normal"><sp/><sp/>types.reserve(N);</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"><sp/><sp/>radii.reserve(N);</highlight></codeline>
-<codeline lineno="172"><highlight class="normal"></highlight></codeline>
-<codeline lineno="173"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>info</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="174"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="175"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>s<sp/>=<sp/>start,<sp/>ns<sp/>=<sp/>sets.size();<sp/>s<sp/>&lt;<sp/>ns;<sp/>s++)<sp/>{</highlight></codeline>
-<codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>CS<sp/>=<sp/>sets[s];</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"></highlight></codeline>
-<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>memcpy<sp/>this</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>cr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>[i];</highlight></codeline>
-<codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coords.push_back(make_float3(cr[0],cr[1],cr[2]));</highlight></codeline>
-<codeline lineno="183"><highlight class="normal"></highlight></codeline>
-<codeline lineno="184"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>types.push_back(vector&lt;float&gt;(maxt,<sp/>0.0));</highlight></codeline>
-<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float&gt;&amp;<sp/>tvec<sp/>=<sp/>types.back();</highlight></codeline>
-<codeline lineno="186"><highlight class="normal"></highlight></codeline>
-<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(offset+CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].size()<sp/>&gt;<sp/>tvec.size())</highlight></codeline>
-<codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Incompatible<sp/>vector<sp/>sizes<sp/>in<sp/>merge_coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(&amp;tvec[0]+offset,<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].cpu().data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].size());</highlight></codeline>
-<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>nr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.size();<sp/>i<sp/>&lt;<sp/>nr;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radii.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>[i]);</highlight></codeline>
-<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>{</highlight></codeline>
-<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offset<sp/>+=<sp/>sets[s].max_type;</highlight></codeline>
-<codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="197"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="198"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="147"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">num_coordinates</ref>();</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>maxt<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//validate<sp/>type<sp/>vector<sp/>sizes<sp/>-<sp/>if<sp/>unique_index_types<sp/>is<sp/>true,<sp/>maxt<sp/>is<sp/>the<sp/>sum<sp/>of</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//the<sp/>number<sp/>of<sp/>types,<sp/>otherwise<sp/>it<sp/>is<sp/>the<sp/>max</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>+=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].max_type;</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>maxt<sp/>=<sp/>max(maxt,<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].max_type);</highlight></codeline>
+<codeline lineno="156"><highlight class="normal"></highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].coords.dimension(0)<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"></highlight></codeline>
+<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].<ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">has_vector_types</ref>())</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>sets<sp/>do<sp/>not<sp/>have<sp/>compatible<sp/>vector<sp/>types<sp/>for<sp/>merge.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].max_type<sp/>!=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].type_vector.dimension(1))<sp/>{</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Coordinate<sp/>set<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(i)+</highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>have<sp/>consistent<sp/>max_type/vector<sp/>type<sp/>sizes&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight></codeline>
+<codeline lineno="167"><highlight class="normal"><sp/><sp/>coords.reserve(N);</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/>types.reserve(N);</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/>radii.reserve(N);</highlight></codeline>
+<codeline lineno="170"><highlight class="normal"></highlight></codeline>
+<codeline lineno="171"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>info</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>s<sp/>=<sp/>start,<sp/>ns<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>s<sp/>&lt;<sp/>ns;<sp/>s++)<sp/>{</highlight></codeline>
+<codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>CS<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[s];</highlight></codeline>
+<codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.dimension(0);</highlight></codeline>
+<codeline lineno="176"><highlight class="normal"></highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//todo:<sp/>memcpy<sp/>this</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>cr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>[i];</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coords.push_back(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(cr[0],cr[1],cr[2]));</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"></highlight></codeline>
+<codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>types.push_back(vector&lt;float&gt;(maxt,<sp/>0.0));</highlight></codeline>
+<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>vector&lt;float&gt;&amp;<sp/>tvec<sp/>=<sp/>types.back();</highlight></codeline>
+<codeline lineno="184"><highlight class="normal"></highlight></codeline>
+<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(offset+CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].size()<sp/>&gt;<sp/>tvec.size())</highlight></codeline>
+<codeline lineno="186"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Incompatible<sp/>vector<sp/>sizes<sp/>in<sp/>merge_coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(&amp;tvec[0]+offset,<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].cpu().data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>[i].size());</highlight></codeline>
+<codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>nr<sp/>=<sp/>CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.size();<sp/>i<sp/>&lt;<sp/>nr;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radii.push_back(CS.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>[i]);</highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_index_types)<sp/>{</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offset<sp/>+=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[s].max_type;</highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="195"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="196"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="197"><highlight class="normal"></highlight></codeline>
+<codeline lineno="198" refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="199"><highlight class="normal"></highlight></codeline>
-<codeline lineno="200" refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">Example::merge_coordinates</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="201"><highlight class="normal"></highlight></codeline>
-<codeline lineno="202"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>has_vec<sp/>=<sp/>has_vector_types();</highlight></codeline>
-<codeline lineno="203"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>has_ind<sp/>=<sp/>has_index_types();</highlight></codeline>
-<codeline lineno="204"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!has_ind<sp/>&amp;&amp;<sp/>!has_vec)<sp/>{</highlight></codeline>
-<codeline lineno="205"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Inconsistent<sp/>typing<sp/>schemes<sp/>in<sp/>merge_coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="206"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="207"><highlight class="normal"></highlight></codeline>
-<codeline lineno="208"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets.size()<sp/>&lt;=<sp/>start)<sp/>{</highlight></codeline>
-<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>();</highlight></codeline>
-<codeline lineno="210"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets.size()<sp/>==<sp/>start+1)<sp/>{</highlight></codeline>
-<codeline lineno="211"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data<sp/>for<sp/>consistency<sp/>with<sp/>multiple<sp/>sets</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sets[start].clone();</highlight></codeline>
-<codeline lineno="213"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!has_vec)<sp/>{</highlight></codeline>
-<codeline lineno="214"><highlight class="normal"></highlight></codeline>
-<codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
-<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>types;</highlight></codeline>
-<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
-<codeline lineno="218"><highlight class="normal"><sp/><sp/><sp/><sp/>merge_coordinates(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
+<codeline lineno="200"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>has_vec<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">has_vector_types</ref>();</highlight></codeline>
+<codeline lineno="201"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>has_ind<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" kindref="member">has_index_types</ref>();</highlight></codeline>
+<codeline lineno="202"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!has_ind<sp/>&amp;&amp;<sp/>!has_vec)<sp/>{</highlight></codeline>
+<codeline lineno="203"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Inconsistent<sp/>typing<sp/>schemes<sp/>in<sp/>merge_coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="204"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="205"><highlight class="normal"></highlight></codeline>
+<codeline lineno="206"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()<sp/>&lt;=<sp/>start)<sp/>{</highlight></codeline>
+<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>();</highlight></codeline>
+<codeline lineno="208"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()<sp/>==<sp/>start+1)<sp/>{</highlight></codeline>
+<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//copy<sp/>data<sp/>for<sp/>consistency<sp/>with<sp/>multiple<sp/>sets</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[start].clone();</highlight></codeline>
+<codeline lineno="211"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!has_vec)<sp/>{</highlight></codeline>
+<codeline lineno="212"><highlight class="normal"></highlight></codeline>
+<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
+<codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>types;</highlight></codeline>
+<codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
+<codeline lineno="217"><highlight class="normal"></highlight></codeline>
+<codeline lineno="218"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(coords,<sp/>types,<sp/>radii,<sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">num_types</ref>(unique_index_types));</highlight></codeline>
 <codeline lineno="219"><highlight class="normal"></highlight></codeline>
-<codeline lineno="220"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(coords,<sp/>types,<sp/>radii,<sp/>num_types(unique_index_types));</highlight></codeline>
+<codeline lineno="220"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="221"><highlight class="normal"></highlight></codeline>
-<codeline lineno="222"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//vector<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="223"><highlight class="normal"></highlight></codeline>
-<codeline lineno="224"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
-<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;vector&lt;float&gt;<sp/>&gt;<sp/>types;</highlight></codeline>
-<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
-<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/>merge_coordinates(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
-<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(coords,<sp/>types,<sp/>radii);</highlight></codeline>
-<codeline lineno="229"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="230"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="231"><highlight class="normal"></highlight></codeline>
-<codeline lineno="232" refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">Example::has_vector_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="233"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//if<sp/>all<sp/>sets<sp/>are<sp/>vector<sp/>types,<sp/>merge<sp/>as<sp/>such<sp/>-<sp/>empty<sp/>sets<sp/>are<sp/>ambiguous<sp/>so<sp/>have<sp/>to<sp/>check<sp/>all</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="234"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets[i].size()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!sets[i].has_vector_types())</highlight></codeline>
-<codeline lineno="237"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="239"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="240"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="241"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="242"><highlight class="normal"></highlight></codeline>
-<codeline lineno="243" refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" kindref="member">Example::has_index_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="244"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//if<sp/>all<sp/>sets<sp/>are<sp/>vector<sp/>types,<sp/>merge<sp/>as<sp/>such<sp/>-<sp/>empty<sp/>sets<sp/>are<sp/>ambiguous<sp/>so<sp/>have<sp/>to<sp/>check<sp/>all</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="245"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sets[i].size()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="247"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!sets[i].has_indexed_types())</highlight></codeline>
-<codeline lineno="248"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="249"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="250"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="251"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="252"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="253"><highlight class="normal"></highlight></codeline>
-<codeline lineno="254"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="255" refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>out)<sp/>{</highlight></codeline>
-<codeline lineno="256"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>examples.size())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>examples:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(examples.size()));</highlight></codeline>
-<codeline lineno="257"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(examples.size()<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="258"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>nlabels<sp/>=<sp/>examples[0].labels.size();</highlight></codeline>
-<codeline lineno="259"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(nlabels<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>labels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(nlabels)+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
-<codeline lineno="260"><highlight class="normal"></highlight></codeline>
-<codeline lineno="261"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>examples.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="262"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;float&gt;&amp;<sp/>labels<sp/>=<sp/>examples[i].labels;</highlight></codeline>
-<codeline lineno="263"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(labels.size()<sp/>!=<sp/>nlabels)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Non-uniform<sp/>number<sp/>of<sp/>labels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(nlabels)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(labels.size()));</highlight></codeline>
-<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>{</highlight></codeline>
-<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(out[i].data(),<sp/>&amp;labels[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*nlabels,<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(out[i].data(),<sp/>&amp;labels[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*nlabels);</highlight></codeline>
-<codeline lineno="268"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="269"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="270"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="271"><highlight class="normal"></highlight></codeline>
-<codeline lineno="272"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>out);</highlight></codeline>
-<codeline lineno="273"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>out);</highlight></codeline>
-<codeline lineno="274"><highlight class="normal"></highlight></codeline>
-<codeline lineno="275"><highlight class="normal"></highlight></codeline>
-<codeline lineno="276"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="277" refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>labelpos,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>out)<sp/>{</highlight></codeline>
-<codeline lineno="278"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>examples.size();</highlight></codeline>
-<codeline lineno="279"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>examples&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="280"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="281"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>nlabels<sp/>=<sp/>examples[0].labels.size();</highlight></codeline>
-<codeline lineno="282"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(labelpos<sp/>&gt;=<sp/>nlabels)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;labelpos<sp/>invalid:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(nlabels));</highlight></codeline>
-<codeline lineno="283"><highlight class="normal"></highlight></codeline>
-<codeline lineno="284"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//unpack<sp/>into<sp/>a<sp/>single<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="285"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/>labels(N);</highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(labelpos<sp/>&gt;=<sp/>examples[i].labels.size())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;labelpos<sp/>invalid<sp/>(nonuniform<sp/>labels):<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(examples[i].labels.size()));</highlight></codeline>
-<codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/>labels[i]<sp/>=<sp/>examples[i].labels[labelpos];</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>{</highlight></codeline>
-<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>&amp;labels[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N,<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/>memcpy(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>&amp;labels[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
-<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="295"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="296"><highlight class="normal"></highlight></codeline>
-<codeline lineno="297"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>);</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>);</highlight></codeline>
-<codeline lineno="299"><highlight class="normal"></highlight></codeline>
-<codeline lineno="300"><highlight class="normal"></highlight></codeline>
-<codeline lineno="301" refid="namespacelibmolgrid_1a1fca3edcd06bb699eed3954b29644ef9" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a1fca3edcd06bb699eed3954b29644ef9" kindref="member">is_numeric</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal">&amp;<sp/>number)</highlight></codeline>
-<codeline lineno="302"><highlight class="normal">{</highlight></codeline>
-<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>end<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/>strtold(number.c_str(),<sp/>&amp;end);<sp/><sp/></highlight><highlight class="comment">//if<sp/>entire<sp/>string<sp/>is<sp/>number,<sp/>end<sp/>will<sp/>be<sp/>set<sp/>to<sp/>end<sp/>of<sp/>string</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float3&gt;<sp/>coords;</highlight></codeline>
+<codeline lineno="223"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;vector&lt;float&gt;<sp/>&gt;<sp/>types;</highlight></codeline>
+<codeline lineno="224"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;float&gt;<sp/>radii;</highlight></codeline>
+<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(coords,<sp/>types,<sp/>radii,<sp/>start,<sp/>unique_index_types);</highlight></codeline>
+<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>(coords,<sp/>types,<sp/>radii);</highlight></codeline>
+<codeline lineno="227"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="228"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="229"><highlight class="normal"></highlight></codeline>
+<codeline lineno="230" refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">Example::has_vector_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="231"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//if<sp/>all<sp/>sets<sp/>are<sp/>vector<sp/>types,<sp/>merge<sp/>as<sp/>such<sp/>-<sp/>empty<sp/>sets<sp/>are<sp/>ambiguous<sp/>so<sp/>have<sp/>to<sp/>check<sp/>all</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="232"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].size()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].<ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">has_vector_types</ref>())</highlight></codeline>
+<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="237"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="238"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="239"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="240"><highlight class="normal"></highlight></codeline>
+<codeline lineno="241" refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" kindref="member">Example::has_index_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="242"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//if<sp/>all<sp/>sets<sp/>are<sp/>vector<sp/>types,<sp/>merge<sp/>as<sp/>such<sp/>-<sp/>empty<sp/>sets<sp/>are<sp/>ambiguous<sp/>so<sp/>have<sp/>to<sp/>check<sp/>all</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="243"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>start,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="244"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].size()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="245"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].has_indexed_types())</highlight></codeline>
+<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="247"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="248"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="249"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="250"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="251"><highlight class="normal"></highlight></codeline>
+<codeline lineno="252"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="253" refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>out)<sp/>{</highlight></codeline>
+<codeline lineno="254"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>examples.size())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>examples:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(examples.size()));</highlight></codeline>
+<codeline lineno="255"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(examples.size()<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="256"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>nlabels<sp/>=<sp/>examples[0].labels.size();</highlight></codeline>
+<codeline lineno="257"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(nlabels<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>labels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(nlabels)+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
+<codeline lineno="258"><highlight class="normal"></highlight></codeline>
+<codeline lineno="259"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>examples.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="260"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;float&gt;&amp;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref><sp/>=<sp/>examples[i].labels;</highlight></codeline>
+<codeline lineno="261"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size()<sp/>!=<sp/>nlabels)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>logic_error(</highlight><highlight class="stringliteral">&quot;Non-uniform<sp/>number<sp/>of<sp/>labels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(nlabels)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size()));</highlight></codeline>
+<codeline lineno="262"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="263"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(out[i].data(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*nlabels,<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(out[i].data(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*nlabels);</highlight></codeline>
+<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="268"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="269"><highlight class="normal"><sp/><sp/><sp/><sp/>memcpy(out[i].data(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*nlabels);</highlight></codeline>
+<codeline lineno="270"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="271"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="272"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="273"><highlight class="normal"></highlight></codeline>
+<codeline lineno="274"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>out);</highlight></codeline>
+<codeline lineno="275"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">Example::extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>out);</highlight></codeline>
+<codeline lineno="276"><highlight class="normal"></highlight></codeline>
+<codeline lineno="277"><highlight class="normal"></highlight></codeline>
+<codeline lineno="278"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="279" refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>labelpos,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>out)<sp/>{</highlight></codeline>
+<codeline lineno="280"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>examples.size();</highlight></codeline>
+<codeline lineno="281"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>examples&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="282"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(N<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="283"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>nlabels<sp/>=<sp/>examples[0].labels.size();</highlight></codeline>
+<codeline lineno="284"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(labelpos<sp/>&gt;=<sp/>nlabels)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;labelpos<sp/>invalid:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(nlabels));</highlight></codeline>
+<codeline lineno="285"><highlight class="normal"></highlight></codeline>
+<codeline lineno="286"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//unpack<sp/>into<sp/>a<sp/>single<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="287"><highlight class="normal"><sp/><sp/>vector&lt;float&gt;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>(N);</highlight></codeline>
+<codeline lineno="288"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(labelpos<sp/>&gt;=<sp/>examples[i].<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;labelpos<sp/>invalid<sp/>(nonuniform<sp/>labels):<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(examples[i].<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size()));</highlight></codeline>
+<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[i]<sp/>=<sp/>examples[i].labels[labelpos];</highlight></codeline>
+<codeline lineno="291"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="293"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N,<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="295"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/>memcpy(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
+<codeline lineno="297"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="298"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="299"><highlight class="normal"><sp/><sp/>memcpy(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>&amp;<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[0],<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal">)*N);</highlight></codeline>
+<codeline lineno="300"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="301"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="302"><highlight class="normal"></highlight></codeline>
+<codeline lineno="303"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>);</highlight></codeline>
+<codeline lineno="304"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">Example::extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>vector&lt;Example&gt;&amp;,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>);</highlight></codeline>
 <codeline lineno="305"><highlight class="normal"></highlight></codeline>
-<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>end<sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal"><sp/>&amp;&amp;<sp/>*end<sp/>==<sp/>0;<sp/><sp/></highlight><highlight class="comment">//could<sp/>also<sp/>check<sp/>end<sp/>!=<sp/>number.c_str()<sp/>if<sp/>whole<sp/>string<sp/>doesn&apos;t<sp/>need<sp/>to<sp/>be<sp/>numerical</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="307"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="308"><highlight class="normal"></highlight></codeline>
-<codeline lineno="309" refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef::ExampleRef</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>line,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>numlabels,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>hasgroup)<sp/>{</highlight></codeline>
-<codeline lineno="310"><highlight class="normal"><sp/><sp/>stringstream<sp/>stream(line);</highlight></codeline>
-<codeline lineno="311"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
-<codeline lineno="312"><highlight class="normal"></highlight></codeline>
-<codeline lineno="313"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(numlabels<sp/>&lt;<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//auto<sp/>detect</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;string&gt;<sp/>tokens;</highlight></codeline>
-<codeline lineno="315"><highlight class="normal"><sp/><sp/><sp/><sp/>boost::algorithm::split(tokens,<sp/>line,boost::is_any_of(</highlight><highlight class="stringliteral">&quot;\t<sp/>&quot;</highlight><highlight class="normal">),boost::token_compress_on);</highlight></codeline>
-<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>tokens.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="317"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>numlabels<sp/>=<sp/>i;</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="namespacelibmolgrid_1a1fca3edcd06bb699eed3954b29644ef9" kindref="member">is_numeric</ref>(tokens[i]))</highlight></codeline>
-<codeline lineno="319"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(hasgroup)<sp/>numlabels--;</highlight></codeline>
-<codeline lineno="322"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="323"><highlight class="normal"></highlight></codeline>
-<codeline lineno="324"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//get<sp/>group<sp/>if<sp/>needed</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="325"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(hasgroup)<sp/>{</highlight></codeline>
-<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/>group;</highlight></codeline>
-<codeline lineno="327"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="328"><highlight class="normal"></highlight></codeline>
-<codeline lineno="329"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//grab<sp/>all<sp/>labels</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="330"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>label<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="331"><highlight class="normal"><sp/><sp/>labels.reserve(numlabels);</highlight></codeline>
-<codeline lineno="332"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>numlabels;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/>label;</highlight></codeline>
-<codeline lineno="334"><highlight class="normal"><sp/><sp/><sp/><sp/>labels.push_back(label);</highlight></codeline>
-<codeline lineno="335"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="336"><highlight class="normal"></highlight></codeline>
-<codeline lineno="337"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//remainder<sp/>of<sp/>the<sp/>line<sp/>should<sp/>be<sp/>whitespace<sp/>spearated<sp/>file<sp/>names</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="338"><highlight class="normal"><sp/><sp/>vector&lt;const<sp/>char<sp/>*&gt;<sp/>names;</highlight></codeline>
-<codeline lineno="339"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal">(stream)<sp/>{</highlight></codeline>
-<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/>tmp.clear();</highlight></codeline>
-<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/>tmp;</highlight></codeline>
-<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(tmp.length()<sp/>==<sp/>0<sp/>||<sp/>tmp[0]<sp/>==<sp/></highlight><highlight class="charliteral">&apos;#&apos;</highlight><highlight class="normal">)<sp/></highlight><highlight class="comment">//nothing<sp/>left<sp/>or<sp/>hit<sp/>comment<sp/>character</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.<ref refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" kindref="member">get</ref>(tmp);</highlight></codeline>
-<codeline lineno="345"><highlight class="normal"><sp/><sp/><sp/><sp/>names.push_back(n);</highlight></codeline>
-<codeline lineno="346"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="347"><highlight class="normal"></highlight></codeline>
-<codeline lineno="348"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(names.size()<sp/>==<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="349"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Missing<sp/>molecular<sp/>data<sp/>in<sp/>line:<sp/>&quot;</highlight><highlight class="normal">+line);</highlight></codeline>
-<codeline lineno="350"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="351"><highlight class="normal"><sp/><sp/>files.reserve(names.size());</highlight></codeline>
-<codeline lineno="352"><highlight class="normal"><sp/><sp/>files<sp/>=<sp/>names;</highlight></codeline>
+<codeline lineno="306"><highlight class="normal"></highlight></codeline>
+<codeline lineno="307" refid="namespacelibmolgrid_1ada5b6facc7bce234e15cc120b18d6a21" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ada5b6facc7bce234e15cc120b18d6a21" kindref="member">is_numeric</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal">&amp;<sp/>number)</highlight></codeline>
+<codeline lineno="308"><highlight class="normal">{</highlight></codeline>
+<codeline lineno="309"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>end<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="310"><highlight class="normal"><sp/><sp/><sp/><sp/>strtold(number.c_str(),<sp/>&amp;end);<sp/><sp/></highlight><highlight class="comment">//if<sp/>entire<sp/>string<sp/>is<sp/>number,<sp/>end<sp/>will<sp/>be<sp/>set<sp/>to<sp/>end<sp/>of<sp/>string</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="311"><highlight class="normal"></highlight></codeline>
+<codeline lineno="312"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>end<sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal"><sp/>&amp;&amp;<sp/>*end<sp/>==<sp/>0;<sp/><sp/></highlight><highlight class="comment">//could<sp/>also<sp/>check<sp/>end<sp/>!=<sp/>number.c_str()<sp/>if<sp/>whole<sp/>string<sp/>doesn&apos;t<sp/>need<sp/>to<sp/>be<sp/>numerical</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="313"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="314"><highlight class="normal"></highlight></codeline>
+<codeline lineno="315" refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef::ExampleRef</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>line,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>numlabels,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>hasgroup)<sp/>{</highlight></codeline>
+<codeline lineno="316"><highlight class="normal"><sp/><sp/>stringstream<sp/>stream(line);</highlight></codeline>
+<codeline lineno="317"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
+<codeline lineno="318"><highlight class="normal"></highlight></codeline>
+<codeline lineno="319"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(numlabels<sp/>&lt;<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//auto<sp/>detect</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;string&gt;<sp/>tokens;</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/>boost::algorithm::split(tokens,<sp/>line,boost::is_any_of(</highlight><highlight class="stringliteral">&quot;\t<sp/>&quot;</highlight><highlight class="normal">),boost::token_compress_on);</highlight></codeline>
+<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>tokens.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>numlabels<sp/>=<sp/>i;</highlight></codeline>
+<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="namespacelibmolgrid_1ada5b6facc7bce234e15cc120b18d6a21" kindref="member">is_numeric</ref>(tokens[i]))</highlight></codeline>
+<codeline lineno="325"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="327"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(hasgroup)<sp/>numlabels--;</highlight></codeline>
+<codeline lineno="328"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="329"><highlight class="normal"></highlight></codeline>
+<codeline lineno="330"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//get<sp/>group<sp/>if<sp/>needed</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="331"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(hasgroup)<sp/>{</highlight></codeline>
+<codeline lineno="332"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref>;</highlight></codeline>
+<codeline lineno="333"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="334"><highlight class="normal"></highlight></codeline>
+<codeline lineno="335"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//grab<sp/>all<sp/>labels</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="336"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>label<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="337"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.reserve(numlabels);</highlight></codeline>
+<codeline lineno="338"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>numlabels;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/>label;</highlight></codeline>
+<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.push_back(label);</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="342"><highlight class="normal"></highlight></codeline>
+<codeline lineno="343"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//remainder<sp/>of<sp/>the<sp/>line<sp/>should<sp/>be<sp/>whitespace<sp/>spearated<sp/>file<sp/>names</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="344"><highlight class="normal"><sp/><sp/>vector&lt;const<sp/>char<sp/>*&gt;<sp/>names;</highlight></codeline>
+<codeline lineno="345"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal">(stream)<sp/>{</highlight></codeline>
+<codeline lineno="346"><highlight class="normal"><sp/><sp/><sp/><sp/>tmp.clear();</highlight></codeline>
+<codeline lineno="347"><highlight class="normal"><sp/><sp/><sp/><sp/>stream<sp/>&gt;&gt;<sp/>tmp;</highlight></codeline>
+<codeline lineno="348"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(tmp.length()<sp/>==<sp/>0<sp/>||<sp/>tmp[0]<sp/>==<sp/></highlight><highlight class="charliteral">&apos;#&apos;</highlight><highlight class="normal">)<sp/></highlight><highlight class="comment">//nothing<sp/>left<sp/>or<sp/>hit<sp/>comment<sp/>character</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="349"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="350"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.get(tmp);</highlight></codeline>
+<codeline lineno="351"><highlight class="normal"><sp/><sp/><sp/><sp/>names.push_back(n);</highlight></codeline>
+<codeline lineno="352"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="353"><highlight class="normal"></highlight></codeline>
-<codeline lineno="354"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="355"><highlight class="normal"></highlight></codeline>
-<codeline lineno="356"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="357" refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="358"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>NT<sp/>=<sp/>num_types(unique_types);</highlight></codeline>
-<codeline lineno="359"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>NT)<sp/>{</highlight></codeline>
-<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Size<sp/>of<sp/>sum<sp/>output<sp/>doesn&apos;t<sp/>match<sp/>number<sp/>of<sp/>types<sp/>in<sp/>example:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(NT));</highlight></codeline>
-<codeline lineno="361"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="362"><highlight class="normal"></highlight></codeline>
-<codeline lineno="363"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="364"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>sets.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="365"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_types)<sp/>{</highlight></codeline>
-<codeline lineno="366"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>nt<sp/>=<sp/>sets[i].num_types();</highlight></codeline>
-<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(nt<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>subsum(sum.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()+offset,<sp/>nt);</highlight></codeline>
-<codeline lineno="369"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offset<sp/>+=<sp/>nt;<sp/></highlight></codeline>
-<codeline lineno="370"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(offset<sp/>&gt;<sp/>NT)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>out_of_range(</highlight><highlight class="stringliteral">&quot;Type<sp/>sizes<sp/>don&apos;t<sp/>add<sp/>up<sp/>in<sp/>Example::sum_types<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(offset)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(NT));</highlight></codeline>
-<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sets[i].sum_types(subsum);</highlight></codeline>
-<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="373"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sets[i].sum_types(sum,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="374"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="375"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="376"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="377"><highlight class="normal"></highlight></codeline>
-<codeline lineno="378"><highlight class="normal"></highlight></codeline>
-<codeline lineno="379"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="380"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="381"><highlight class="normal"></highlight></codeline>
-<codeline lineno="382"><highlight class="normal"></highlight></codeline>
-<codeline lineno="383"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="354"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(names.size()<sp/>==<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="355"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Missing<sp/>molecular<sp/>data<sp/>in<sp/>line:<sp/>&quot;</highlight><highlight class="normal">+line);</highlight></codeline>
+<codeline lineno="356"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.reserve(names.size());</highlight></codeline>
+<codeline lineno="358"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref><sp/>=<sp/>names;</highlight></codeline>
+<codeline lineno="359"><highlight class="normal"></highlight></codeline>
+<codeline lineno="360"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="361"><highlight class="normal"></highlight></codeline>
+<codeline lineno="362"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="363" refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>NT<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">num_types</ref>(unique_types);</highlight></codeline>
+<codeline lineno="365"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>NT)<sp/>{</highlight></codeline>
+<codeline lineno="366"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Size<sp/>of<sp/>sum<sp/>output<sp/>doesn&apos;t<sp/>match<sp/>number<sp/>of<sp/>types<sp/>in<sp/>example:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(sum.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(NT));</highlight></codeline>
+<codeline lineno="367"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="368"><highlight class="normal"></highlight></codeline>
+<codeline lineno="369"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="370"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(unique_types)<sp/>{</highlight></codeline>
+<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>nt<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].num_types();</highlight></codeline>
+<codeline lineno="373"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(nt<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">continue</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="374"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>subsum(sum.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()+offset,<sp/>nt);</highlight></codeline>
+<codeline lineno="375"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>offset<sp/>+=<sp/>nt;<sp/></highlight></codeline>
+<codeline lineno="376"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(offset<sp/>&gt;<sp/>NT)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>out_of_range(</highlight><highlight class="stringliteral">&quot;Type<sp/>sizes<sp/>don&apos;t<sp/>add<sp/>up<sp/>in<sp/>Example::sum_types<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(offset)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(NT));</highlight></codeline>
+<codeline lineno="377"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].sum_types(subsum);</highlight></codeline>
+<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].sum_types(sum,<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="381"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="382"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="383"><highlight class="normal"></highlight></codeline>
+<codeline lineno="384"><highlight class="normal"></highlight></codeline>
+<codeline lineno="385"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="386"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">Example::sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="387"><highlight class="normal"></highlight></codeline>
+<codeline lineno="388"><highlight class="normal"></highlight></codeline>
+<codeline lineno="389"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/example.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example_8h.xml b/docs/cpp/xml/example_8h.xml
index 974cadba..550308ba 100644
--- a/docs/cpp/xml/example_8h.xml
+++ b/docs/cpp/xml/example_8h.xml
@@ -1,11 +1,13 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example_8h" kind="file" language="C++">
     <compoundname>example.h</compoundname>
     <includes local="no">vector</includes>
     <includes local="no">unordered_set</includes>
     <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
+    <includes refid="string__cache_8h" local="yes">libmolgrid/string_cache.h</includes>
     <includedby refid="coord__cache_8h" local="yes">coord_cache.h</includedby>
+    <includedby refid="example_8cpp" local="yes">example.cpp</includedby>
     <includedby refid="example__dataset_8h" local="yes">example_dataset.h</includedby>
     <includedby refid="example__extractor_8h" local="yes">example_extractor.h</includedby>
     <includedby refid="example__provider_8h" local="yes">example_provider.h</includedby>
@@ -13,8 +15,37 @@
     <includedby refid="grid__interpolater_8h" local="yes">grid_interpolater.h</includedby>
     <includedby refid="grid__maker_8h" local="yes">grid_maker.h</includedby>
     <includedby refid="transform_8h" local="yes">transform.h</includedby>
-    <includedby refid="example_8cpp" local="yes">example.cpp</includedby>
     <incdepgraph>
+      <node id="21">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+      </node>
+      <node id="4">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+      </node>
       <node id="1">
         <label>example.h</label>
         <link refid="example_8h"/>
@@ -24,126 +55,134 @@
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
       </node>
-      <node id="9">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="21">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="13">
-        <label>cassert</label>
-      </node>
-      <node id="10">
+      <node id="14">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
         <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
       </node>
-      <node id="5">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="3">
-        <label>unordered_set</label>
-      </node>
-      <node id="20">
-        <label>random</label>
-      </node>
-      <node id="2">
-        <label>vector</label>
-      </node>
-      <node id="8">
-        <label>utility</label>
-      </node>
-      <node id="15">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="7" relation="include">
+      <node id="24">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
       </node>
-      <node id="14">
-        <label>iostream</label>
-      </node>
-      <node id="18">
-        <label>cuda.h</label>
-      </node>
-      <node id="17">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="12">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="6">
+      <node id="7">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="7" relation="include">
-        </childnode>
         <childnode refid="8" relation="include">
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
         <childnode refid="10" relation="include">
         </childnode>
-      </node>
-      <node id="11">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="19">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="20" relation="include">
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+      </node>
+      <node id="26">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
       </node>
+      <node id="11">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="15">
+        <label>boost/multi_array.hpp</label>
+      </node>
       <node id="16">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="6">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="13">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="12">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="17">
+        <label>cassert</label>
+      </node>
+      <node id="8">
+        <label>cstdlib</label>
+      </node>
+      <node id="19">
         <label>cstring</label>
       </node>
-      <node id="4">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
+      <node id="18">
+        <label>iostream</label>
       </node>
-      <node id="7">
+      <node id="23">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="9">
         <label>memory</label>
       </node>
+      <node id="5">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="25">
+        <label>random</label>
+      </node>
+      <node id="20">
+        <label>stdexcept</label>
+      </node>
+      <node id="22">
+        <label>string</label>
+      </node>
+      <node id="3">
+        <label>unordered_set</label>
+      </node>
+      <node id="10">
+        <label>utility</label>
+      </node>
+      <node id="2">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="3">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
+      <node id="2">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -151,157 +190,158 @@
         <link refid="example_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
-      <node id="12">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
-        <childnode refid="13" relation="include">
+      <node id="5">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
+      <node id="4">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
       </node>
-      <node id="15">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
+      <node id="8">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="9" relation="include">
+        </childnode>
       </node>
-      <node id="10">
+      <node id="11">
         <label>exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-      </node>
-      <node id="2">
-        <label>coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
       </node>
-      <node id="4">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="5" relation="include">
+      <node id="13">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="14" relation="include">
         </childnode>
       </node>
-      <node id="14">
+      <node id="15">
         <label>grid_maker.h</label>
         <link refid="grid__maker_8h"/>
-        <childnode refid="15" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
       <node id="17">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="6">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="7" relation="include">
-        </childnode>
-      </node>
-      <node id="18">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="11">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
-      </node>
-      <node id="13">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
-      <node id="16">
         <label>transform.h</label>
         <link refid="transform_8h"/>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
         <childnode refid="18" relation="include">
         </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
       </node>
-      <node id="7">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="9">
+      <node id="3">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="5">
+      <node id="10">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
+      <node id="6">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="7">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="9">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
+      <node id="12">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="14">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="16">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="18">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
       <node id="19">
-        <label>example.cpp</label>
-        <link refid="example_8cpp"/>
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
     <innerclass refid="structlibmolgrid_1_1ExampleProviderSettings" prot="public">libmolgrid::ExampleProviderSettings</innerclass>
     <innerclass refid="structlibmolgrid_1_1Example" prot="public">libmolgrid::Example</innerclass>
     <innerclass refid="structlibmolgrid_1_1ExampleRef" prot="public">libmolgrid::ExampleRef</innerclass>
-    <innerclass refid="classlibmolgrid_1_1StringCache" prot="public">libmolgrid::StringCache</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="example_8h_1a46739ee654a984e63ff40c4ad66e364d" prot="public" static="no">
         <name>MAKE_SETTINGS</name>
         <param></param>
-        <initializer>    <ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, shuffle, false, &quot;randomize order of examples&quot;) \
-    EXSET(bool, balanced, false, &quot;provide equal number of positive and negative examples as determined by label&quot;) \
-    EXSET(bool, stratify_receptor, false, &quot;sample uniformly across receptors (first molecule)&quot;) \
-    EXSET(int, labelpos, 0, &quot;position of binary label&quot;) \
-    EXSET(int, stratify_pos, 1, &quot;position of label for numerical stratification&quot;) \
-    EXSET(bool, stratify_abs, true, &quot;stratify based on absolute value, for cases where negative has special meaning (e.g., hinge loss indicator)&quot;) \
-    EXSET(float, stratify_min, 0, &quot;minimum range for value stratification&quot;) \
-    EXSET(float, stratify_max, 0, &quot;maximum range for value stratification&quot;) \
-    EXSET(float, stratify_step, 0, &quot;step size for value stratification, together with min and max determines number of bins&quot;) \
-    EXSET(int, group_batch_size, 1, &quot;slice time series (groups) by batches of this size&quot;) \
-    EXSET(int, max_group_size, 0, &quot;maximum group size, all groups are padded out to this size; example file must contain group number in first column&quot;) \
-    EXSET(size_t, default_batch_size, 1, &quot;default batch size&quot;) \
-    EXSET(bool, cache_structs, true, &quot;retain coordinates in memory for faster training&quot;) \
-    EXSET(bool, add_hydrogens, true, &quot;protonate read in molecule using openbabel&quot;) \
-    EXSET(bool, duplicate_first, false, &quot;clone the first coordinate set to be paired with each of the remaining (receptor-ligand pairs)&quot;) \
-    EXSET(size_t, num_copies, 1, &quot;number of times to repeatedly produce an example&quot;) \
-    EXSET(bool, make_vector_types, false, &quot;convert index types into one-hot encoded vector types&quot;) \
-    EXSET(IterationScheme, iteration_scheme, Continuous, &quot;how to iterate over examples; note that the last batch may get padded with example from the next epoch. Options are: Continuous, LargeEpoch, SmallEpoch &quot;) \
-    EXSET(std::string, data_root, &quot;&quot;, &quot;prefix for data files&quot;) \
-    EXSET(std::string, recmolcache, &quot;&quot;, &quot;precalculated molcache2 file for receptor (first molecule); if doesn&apos;t exist, will look in data _root&quot;) \
-    EXSET(std::string, ligmolcache, &quot;&quot;, &quot;precalculated molcache2 file for ligand; if doesn&apos;t exist, will look in data_root&quot;)</initializer>
+        <initializer><ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, shuffle, false, &quot;randomize order of examples&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, balanced, false, &quot;provide equal number of positive and negative examples as determined by label&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, stratify_receptor, false, &quot;sample uniformly across receptors (first molecule)&quot;) \
+EXSET(int, labelpos, 0, &quot;position of binary label&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(int, stratify_pos, 1, &quot;position of label for numerical stratification&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, stratify_abs, true, &quot;stratify based on absolute value, for cases where negative has special meaning (e.g., hinge loss indicator)&quot;) \
+EXSET(float, stratify_min, 0, &quot;minimum range for value stratification&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(float, stratify_max, 0, &quot;maximum range for value stratification&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(float, stratify_step, 0, &quot;step size for value stratification, together with min and max determines number of bins&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(int, group_batch_size, 1, &quot;slice time series (groups) by batches of this size&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(int, max_group_size, 0, &quot;maximum group size, all groups are padded out to this size; example file must contain group number in first column&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(size_t, default_batch_size, 1, &quot;default batch size&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, cache_structs, true, &quot;retain coordinates in memory for faster training&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, add_hydrogens, true, &quot;protonate read in molecule using openbabel&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, duplicate_first, false, &quot;clone the first coordinate set to be paired with each of the remaining (receptor-ligand pairs)&quot;) \
+EXSET(size_t, num_copies, 1, &quot;number of times to repeatedly produce an example&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(bool, make_vector_types, false, &quot;convert index types into one-hot encoded vector types&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(IterationScheme, iteration_scheme, Continuous, &quot;how to iterate over examples; note that the last batch may get padded with example from the next epoch. Options are: Continuous, LargeEpoch, SmallEpoch &quot;) \
+EXSET(std::string, data_root, &quot;&quot;, &quot;prefix for data files&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(std::string, recmolcache, &quot;&quot;, &quot;precalculated molcache2 file for receptor (first molecule); if doesn&apos;t exist, will look in data _root&quot;) \
+<ref refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" kindref="member">EXSET</ref>(std::string, ligmolcache, &quot;&quot;, &quot;precalculated molcache2 file for ligand; if doesn&apos;t exist, will look in data_root&quot;)</initializer>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="23" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="23" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="24" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="24" bodyend="45"/>
       </memberdef>
       <memberdef kind="define" id="example_8h_1a5b01d266acea74c0a163773fe8f40a13" prot="public" static="no">
         <name>EXSET</name>
@@ -316,9 +356,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="51" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="51" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="52" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="52" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
@@ -326,126 +366,116 @@
 <para>Created on: Feb 27, 2019 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="12"><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXAMPLE_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;unordered_set&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight></codeline>
-<codeline lineno="19"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21" refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979addfac8fdd5983a95c0cf43ffbcacef4f" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">enum</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979" kindref="member">IterationScheme</ref><sp/>{<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979a6cb140948cbeedb9f7182dd4027e5e37" kindref="member">Continuous</ref><sp/>=<sp/>0,<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979ad3a968bec5e354aeb80f8cabccc217bc" kindref="member">LargeEpoch</ref><sp/>=<sp/>1,<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979addfac8fdd5983a95c0cf43ffbcacef4f" kindref="member">SmallEpoch</ref><sp/>=<sp/>2};</highlight></codeline>
-<codeline lineno="22"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23" refid="example_8h_1a46739ee654a984e63ff40c4ad66e364d" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>MAKE_SETTINGS()<sp/>\</highlight></codeline>
-<codeline lineno="24"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>shuffle,<sp/>false,<sp/>&quot;randomize<sp/>order<sp/>of<sp/>examples&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="25"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>balanced,<sp/>false,<sp/>&quot;provide<sp/>equal<sp/>number<sp/>of<sp/>positive<sp/>and<sp/>negative<sp/>examples<sp/>as<sp/>determined<sp/>by<sp/>label&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="26"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>stratify_receptor,<sp/>false,<sp/>&quot;sample<sp/>uniformly<sp/>across<sp/>receptors<sp/>(first<sp/>molecule)&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="27"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>labelpos,<sp/>0,<sp/>&quot;position<sp/>of<sp/>binary<sp/>label&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="28"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>stratify_pos,<sp/>1,<sp/>&quot;position<sp/>of<sp/>label<sp/>for<sp/>numerical<sp/>stratification&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="29"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>stratify_abs,<sp/>true,<sp/>&quot;stratify<sp/>based<sp/>on<sp/>absolute<sp/>value,<sp/>for<sp/>cases<sp/>where<sp/>negative<sp/>has<sp/>special<sp/>meaning<sp/>(e.g.,<sp/>hinge<sp/>loss<sp/>indicator)&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="30"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_min,<sp/>0,<sp/>&quot;minimum<sp/>range<sp/>for<sp/>value<sp/>stratification&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="31"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_max,<sp/>0,<sp/>&quot;maximum<sp/>range<sp/>for<sp/>value<sp/>stratification&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="32"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_step,<sp/>0,<sp/>&quot;step<sp/>size<sp/>for<sp/>value<sp/>stratification,<sp/>together<sp/>with<sp/>min<sp/>and<sp/>max<sp/>determines<sp/>number<sp/>of<sp/>bins&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="33"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>group_batch_size,<sp/>1,<sp/>&quot;slice<sp/>time<sp/>series<sp/>(groups)<sp/>by<sp/>batches<sp/>of<sp/>this<sp/>size&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="34"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>max_group_size,<sp/>0,<sp/>&quot;maximum<sp/>group<sp/>size,<sp/>all<sp/>groups<sp/>are<sp/>padded<sp/>out<sp/>to<sp/>this<sp/>size;<sp/>example<sp/>file<sp/>must<sp/>contain<sp/>group<sp/>number<sp/>in<sp/>first<sp/>column&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="35"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(size_t,<sp/>default_batch_size,<sp/>1,<sp/>&quot;default<sp/>batch<sp/>size&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="36"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>cache_structs,<sp/>true,<sp/>&quot;retain<sp/>coordinates<sp/>in<sp/>memory<sp/>for<sp/>faster<sp/>training&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="37"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>add_hydrogens,<sp/>true,<sp/>&quot;protonate<sp/>read<sp/>in<sp/>molecule<sp/>using<sp/>openbabel&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="38"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>duplicate_first,<sp/>false,<sp/>&quot;clone<sp/>the<sp/>first<sp/>coordinate<sp/>set<sp/>to<sp/>be<sp/>paired<sp/>with<sp/>each<sp/>of<sp/>the<sp/>remaining<sp/>(receptor-ligand<sp/>pairs)&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="39"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(size_t,<sp/>num_copies,<sp/>1,<sp/>&quot;number<sp/>of<sp/>times<sp/>to<sp/>repeatedly<sp/>produce<sp/>an<sp/>example&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="40"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>make_vector_types,<sp/>false,<sp/>&quot;convert<sp/>index<sp/>types<sp/>into<sp/>one-hot<sp/>encoded<sp/>vector<sp/>types&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="41"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(IterationScheme,<sp/>iteration_scheme,<sp/>Continuous,<sp/>&quot;how<sp/>to<sp/>iterate<sp/>over<sp/>examples;<sp/>note<sp/>that<sp/>the<sp/>last<sp/>batch<sp/>may<sp/>get<sp/>padded<sp/>with<sp/>example<sp/>from<sp/>the<sp/>next<sp/>epoch.<sp/>Options<sp/>are:<sp/>Continuous,<sp/>LargeEpoch,<sp/>SmallEpoch<sp/>&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="42"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>data_root,<sp/>&quot;&quot;,<sp/>&quot;prefix<sp/>for<sp/>data<sp/>files&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="43"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>recmolcache,<sp/>&quot;&quot;,<sp/>&quot;precalculated<sp/>molcache2<sp/>file<sp/>for<sp/>receptor<sp/>(first<sp/>molecule);<sp/>if<sp/>doesn&apos;t<sp/>exist,<sp/>will<sp/>look<sp/>in<sp/>data<sp/>_root&quot;)<sp/>\</highlight></codeline>
-<codeline lineno="44"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>ligmolcache,<sp/>&quot;&quot;,<sp/>&quot;precalculated<sp/>molcache2<sp/>file<sp/>for<sp/>ligand;<sp/>if<sp/>doesn&apos;t<sp/>exist,<sp/>will<sp/>look<sp/>in<sp/>data_root&quot;)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50" refid="structlibmolgrid_1_1ExampleProviderSettings" refkind="compound"><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>{</highlight></codeline>
-<codeline lineno="51" refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/>#define<sp/>EXSET(TYPE,<sp/>NAME,<sp/>DEFAULT,<sp/>DOC)<sp/>TYPE<sp/>NAME<sp/>=<sp/>DEFAULT;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="example_8h_1a46739ee654a984e63ff40c4ad66e364d" kindref="member">MAKE_SETTINGS</ref>()</highlight></codeline>
-<codeline lineno="53"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="54"><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="string__cache_8h" kindref="compound">libmolgrid/string_cache.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"></highlight></codeline>
+<codeline lineno="22" refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979a6cb140948cbeedb9f7182dd4027e5e37" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">enum</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979" kindref="member">IterationScheme</ref><sp/>{<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979a6cb140948cbeedb9f7182dd4027e5e37" kindref="member">Continuous</ref><sp/>=<sp/>0,<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979ad3a968bec5e354aeb80f8cabccc217bc" kindref="member">LargeEpoch</ref><sp/>=<sp/>1,<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979addfac8fdd5983a95c0cf43ffbcacef4f" kindref="member">SmallEpoch</ref><sp/>=<sp/>2};</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight></codeline>
+<codeline lineno="24" refid="example_8h_1a46739ee654a984e63ff40c4ad66e364d" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>MAKE_SETTINGS()<sp/>\</highlight></codeline>
+<codeline lineno="25"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>shuffle,<sp/>false,<sp/>&quot;randomize<sp/>order<sp/>of<sp/>examples&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="26"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>balanced,<sp/>false,<sp/>&quot;provide<sp/>equal<sp/>number<sp/>of<sp/>positive<sp/>and<sp/>negative<sp/>examples<sp/>as<sp/>determined<sp/>by<sp/>label&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="27"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>stratify_receptor,<sp/>false,<sp/>&quot;sample<sp/>uniformly<sp/>across<sp/>receptors<sp/>(first<sp/>molecule)&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="28"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>labelpos,<sp/>0,<sp/>&quot;position<sp/>of<sp/>binary<sp/>label&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="29"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>stratify_pos,<sp/>1,<sp/>&quot;position<sp/>of<sp/>label<sp/>for<sp/>numerical<sp/>stratification&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="30"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>stratify_abs,<sp/>true,<sp/>&quot;stratify<sp/>based<sp/>on<sp/>absolute<sp/>value,<sp/>for<sp/>cases<sp/>where<sp/>negative<sp/>has<sp/>special<sp/>meaning<sp/>(e.g.,<sp/>hinge<sp/>loss<sp/>indicator)&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="31"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_min,<sp/>0,<sp/>&quot;minimum<sp/>range<sp/>for<sp/>value<sp/>stratification&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="32"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_max,<sp/>0,<sp/>&quot;maximum<sp/>range<sp/>for<sp/>value<sp/>stratification&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="33"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(float,<sp/>stratify_step,<sp/>0,<sp/>&quot;step<sp/>size<sp/>for<sp/>value<sp/>stratification,<sp/>together<sp/>with<sp/>min<sp/>and<sp/>max<sp/>determines<sp/>number<sp/>of<sp/>bins&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="34"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>group_batch_size,<sp/>1,<sp/>&quot;slice<sp/>time<sp/>series<sp/>(groups)<sp/>by<sp/>batches<sp/>of<sp/>this<sp/>size&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="35"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(int,<sp/>max_group_size,<sp/>0,<sp/>&quot;maximum<sp/>group<sp/>size,<sp/>all<sp/>groups<sp/>are<sp/>padded<sp/>out<sp/>to<sp/>this<sp/>size;<sp/>example<sp/>file<sp/>must<sp/>contain<sp/>group<sp/>number<sp/>in<sp/>first<sp/>column&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="36"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(size_t,<sp/>default_batch_size,<sp/>1,<sp/>&quot;default<sp/>batch<sp/>size&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="37"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>cache_structs,<sp/>true,<sp/>&quot;retain<sp/>coordinates<sp/>in<sp/>memory<sp/>for<sp/>faster<sp/>training&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="38"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>add_hydrogens,<sp/>true,<sp/>&quot;protonate<sp/>read<sp/>in<sp/>molecule<sp/>using<sp/>openbabel&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="39"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>duplicate_first,<sp/>false,<sp/>&quot;clone<sp/>the<sp/>first<sp/>coordinate<sp/>set<sp/>to<sp/>be<sp/>paired<sp/>with<sp/>each<sp/>of<sp/>the<sp/>remaining<sp/>(receptor-ligand<sp/>pairs)&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="40"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(size_t,<sp/>num_copies,<sp/>1,<sp/>&quot;number<sp/>of<sp/>times<sp/>to<sp/>repeatedly<sp/>produce<sp/>an<sp/>example&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="41"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(bool,<sp/>make_vector_types,<sp/>false,<sp/>&quot;convert<sp/>index<sp/>types<sp/>into<sp/>one-hot<sp/>encoded<sp/>vector<sp/>types&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="42"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(IterationScheme,<sp/>iteration_scheme,<sp/>Continuous,<sp/>&quot;how<sp/>to<sp/>iterate<sp/>over<sp/>examples;<sp/>note<sp/>that<sp/>the<sp/>last<sp/>batch<sp/>may<sp/>get<sp/>padded<sp/>with<sp/>example<sp/>from<sp/>the<sp/>next<sp/>epoch.<sp/>Options<sp/>are:<sp/>Continuous,<sp/>LargeEpoch,<sp/>SmallEpoch<sp/>&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="43"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>data_root,<sp/>&quot;&quot;,<sp/>&quot;prefix<sp/>for<sp/>data<sp/>files&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="44"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>recmolcache,<sp/>&quot;&quot;,<sp/>&quot;precalculated<sp/>molcache2<sp/>file<sp/>for<sp/>receptor<sp/>(first<sp/>molecule);<sp/>if<sp/>doesn&apos;t<sp/>exist,<sp/>will<sp/>look<sp/>in<sp/>data<sp/>_root&quot;)<sp/>\</highlight></codeline>
+<codeline lineno="45"><highlight class="preprocessor"><sp/><sp/><sp/><sp/>EXSET(std::string,<sp/>ligmolcache,<sp/>&quot;&quot;,<sp/>&quot;precalculated<sp/>molcache2<sp/>file<sp/>for<sp/>ligand;<sp/>if<sp/>doesn&apos;t<sp/>exist,<sp/>will<sp/>look<sp/>in<sp/>data_root&quot;)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="46"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51" refid="structlibmolgrid_1_1ExampleProviderSettings" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>{</highlight></codeline>
+<codeline lineno="52" refid="example_8h_1a5b01d266acea74c0a163773fe8f40a13" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/>#define<sp/>EXSET(TYPE,<sp/>NAME,<sp/>DEFAULT,<sp/>DOC)<sp/>TYPE<sp/>NAME<sp/>=<sp/>DEFAULT;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="example_8h_1a46739ee654a984e63ff40c4ad66e364d" kindref="member">MAKE_SETTINGS</ref>()</highlight></codeline>
+<codeline lineno="54"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="55"><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Example</highlight></codeline>
-<codeline lineno="60" refid="structlibmolgrid_1_1Example" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>{</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"></highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//indexed<sp/><sp/>by<sp/>atom<sp/>group</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="63" refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;CoordinateSet&gt;<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>;</highlight></codeline>
-<codeline lineno="64" refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
-<codeline lineno="65" refid="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref><sp/>=<sp/>-1;</highlight></codeline>
-<codeline lineno="66" refid="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
-<codeline lineno="67"><highlight class="normal"></highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">num_coordinates</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"></highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">num_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"></highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_1</highlight></codeline>
-<codeline lineno="85"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"></highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_2</highlight></codeline>
-<codeline lineno="96"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(Grid2f&amp;<sp/>coords,<sp/>Grid1f&amp;<sp/>type_index,<sp/>Grid1f&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;float&gt;&amp;<sp/>type_index,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"></highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_3</highlight></codeline>
-<codeline lineno="108"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(Grid2f&amp;<sp/>coords,<sp/>Grid2f&amp;<sp/>type_vector,<sp/>Grid1f&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>type_vector,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"></highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_extract_labels</highlight></codeline>
-<codeline lineno="117"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>out);</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"></highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_extract_label</highlight></codeline>
-<codeline lineno="127"><highlight class="comment"></highlight><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>labelpos,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>out);</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//pointer<sp/>equality,<sp/>implemented<sp/>for<sp/>python<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="131" refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>rhs)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="134"><highlight class="normal"></highlight></codeline>
-<codeline lineno="135" refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" kindref="member">togpu</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].togpu();<sp/>}<sp/>}</highlight></codeline>
-<codeline lineno="136" refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" kindref="member">tocpu</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].tocpu();<sp/>}<sp/>}</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"></highlight></codeline>
-<codeline lineno="139" refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" kindref="member">make_vector_types</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].make_vector_types();<sp/>}<sp/>}</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"></highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">has_vector_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="143"><highlight class="normal"></highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" kindref="member">has_index_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="146"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"></highlight></codeline>
-<codeline lineno="152" refid="structlibmolgrid_1_1ExampleRef" refkind="compound"><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>{</highlight></codeline>
-<codeline lineno="153" refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;const<sp/>char*&gt;<sp/><ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>;</highlight></codeline>
-<codeline lineno="154" refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;<sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
-<codeline lineno="155" refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref><sp/>=<sp/>-1;</highlight></codeline>
-<codeline lineno="156" refid="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
-<codeline lineno="157"><highlight class="normal"></highlight></codeline>
-<codeline lineno="158" refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef</ref>()<sp/>{}</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>line,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>numlabels,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>hasgroup=</highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="161"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="162"><highlight class="normal"></highlight></codeline>
+<codeline lineno="56"><highlight class="normal"></highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Example</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="61" refid="structlibmolgrid_1_1Example" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>{</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"></highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//indexed<sp/><sp/>by<sp/>atom<sp/>group</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="64" refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;CoordinateSet&gt;<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>;</highlight></codeline>
+<codeline lineno="65" refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
+<codeline lineno="66" refid="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref><sp/>=<sp/>-1;</highlight></codeline>
+<codeline lineno="67" refid="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
+<codeline lineno="68"><highlight class="normal"></highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" kindref="member">num_coordinates</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"></highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" kindref="member">num_types</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"></highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" kindref="member">sum_types</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>sum,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"></highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_1</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"></highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(Grid2f&amp;<sp/>coords,<sp/>Grid1f&amp;<sp/>type_index,<sp/>Grid1f&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;float&gt;&amp;<sp/>type_index,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"></highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_merge_coordinates_3</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(Grid2f&amp;<sp/>coords,<sp/>Grid2f&amp;<sp/>type_vector,<sp/>Grid1f&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>(std::vector&lt;float3&gt;&amp;<sp/>coords,<sp/>std::vector&lt;std::vector&lt;float&gt;<sp/>&gt;&amp;<sp/>type_vector,<sp/>std::vector&lt;float&gt;&amp;<sp/>radii,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>unique_index_types=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"></highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_extract_labels</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" kindref="member">extract_labels</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>out);</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"></highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Example_extract_label</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" kindref="member">extract_label</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>examples,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>labelpos,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>out);</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//pointer<sp/>equality,<sp/>implemented<sp/>for<sp/>python<sp/>vector</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="132" refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>rhs)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref><sp/>&amp;&amp;<sp/><ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref><sp/>==<sp/>rhs.<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"></highlight></codeline>
+<codeline lineno="136" refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" kindref="member">togpu</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].togpu();<sp/>}<sp/>}</highlight></codeline>
+<codeline lineno="137" refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" kindref="member">tocpu</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].tocpu();<sp/>}<sp/>}</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"></highlight></codeline>
+<codeline lineno="140" refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" kindref="member">make_vector_types</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].make_vector_types();<sp/>}<sp/>}</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"></highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" kindref="member">has_vector_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"></highlight></codeline>
+<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" kindref="member">has_index_types</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>start<sp/>=<sp/>0)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="147"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"></highlight></codeline>
+<codeline lineno="153" refid="structlibmolgrid_1_1ExampleRef" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef</ref><sp/>{</highlight></codeline>
+<codeline lineno="154" refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;const<sp/>char*&gt;<sp/><ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>;</highlight></codeline>
+<codeline lineno="155" refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;float&gt;<sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;</highlight></codeline>
+<codeline lineno="156" refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref><sp/>=<sp/>-1;</highlight></codeline>
+<codeline lineno="157" refid="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
+<codeline lineno="158"><highlight class="normal"></highlight></codeline>
+<codeline lineno="159" refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" kindref="member">ExampleRef</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>line,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>numlabels,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>hasgroup=</highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="162"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="163"><highlight class="normal"></highlight></codeline>
-<codeline lineno="164"><highlight class="normal"></highlight><highlight class="comment">//for<sp/>memory<sp/>efficiency,<sp/>only<sp/>store<sp/>a<sp/>given<sp/>string<sp/>once<sp/>and<sp/>use<sp/>the<sp/>const<sp/>char*</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="165" refid="classlibmolgrid_1_1StringCache" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref><sp/>{</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/>std::unordered_set&lt;std::string&gt;<sp/>strings;</highlight></codeline>
-<codeline lineno="167"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="168" refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/><ref refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" kindref="member">get</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>s)</highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
-<codeline lineno="170"><highlight class="normal"><sp/><sp/><sp/><sp/>strings.insert(s);</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//we<sp/>assume<sp/>even<sp/>as<sp/>the<sp/>set<sp/>is<sp/>resized<sp/>that<sp/>strings<sp/>never<sp/>get<sp/>allocated</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>strings.find(s)-&gt;c_str();</highlight></codeline>
-<codeline lineno="173"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="174"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="175"><highlight class="normal"></highlight></codeline>
-<codeline lineno="176"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>StringCache<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>;</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"></highlight></codeline>
-<codeline lineno="178"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="179"><highlight class="normal"></highlight></codeline>
-<codeline lineno="180"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="164"><highlight class="normal"></highlight></codeline>
+<codeline lineno="165"><highlight class="normal"></highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight></codeline>
+<codeline lineno="167"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="168"><highlight class="normal"></highlight></codeline>
+<codeline lineno="169"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__dataset_8cpp.xml b/docs/cpp/xml/example__dataset_8cpp.xml
index f315e256..1dc6cfa5 100644
--- a/docs/cpp/xml/example__dataset_8cpp.xml
+++ b/docs/cpp/xml/example__dataset_8cpp.xml
@@ -1,236 +1,296 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__dataset_8cpp" kind="file" language="C++">
     <compoundname>example_dataset.cpp</compoundname>
     <includes refid="example__dataset_8h" local="yes">libmolgrid/example_dataset.h</includes>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
     <incdepgraph>
-      <node id="33">
-        <label>functional</label>
-      </node>
-      <node id="28">
-        <label>libmolgrid/example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="9" relation="include">
+      <node id="35">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="36" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="37" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="38" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="4" relation="include">
+      <node id="23">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-      </node>
-      <node id="11">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="23">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="15">
-        <label>cassert</label>
-      </node>
-      <node id="12">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+      </node>
+      <node id="34">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="35" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="39" relation="include">
         </childnode>
-      </node>
-      <node id="7">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="5">
-        <label>unordered_set</label>
-      </node>
-      <node id="24">
-        <label>libmolgrid/exampleref_providers.h</label>
-        <link refid="exampleref__providers_8h"/>
-        <childnode refid="16" relation="include">
+        <childnode refid="40" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="41" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="42" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="43" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+      </node>
+      <node id="6">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
-      <node id="29">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="6" relation="include">
+      <node id="3">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="34" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
-      <node id="22">
-        <label>random</label>
-      </node>
       <node id="2">
         <label>libmolgrid/example_dataset.h</label>
         <link refid="example__dataset_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="33" relation="include">
         </childnode>
       </node>
-      <node id="30">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="31" relation="include">
+      <node id="33">
+        <label>libmolgrid/example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
         </childnode>
         <childnode refid="32" relation="include">
         </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="34" relation="include">
+        </childnode>
+      </node>
+      <node id="29">
+        <label>libmolgrid/exampleref_providers.h</label>
+        <link refid="exampleref__providers_8h"/>
+        <childnode refid="20" relation="include">
+        </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
         </childnode>
       </node>
-      <node id="31">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="4">
-        <label>vector</label>
-      </node>
-      <node id="10">
-        <label>utility</label>
-      </node>
-      <node id="34">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="9" relation="include">
+      <node id="16">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
         <childnode refid="18" relation="include">
         </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
         <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="20" relation="include">
         </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
       </node>
-      <node id="32">
-        <label>openbabel/elements.h</label>
-      </node>
-      <node id="16">
-        <label>iostream</label>
-      </node>
-      <node id="27">
-        <label>unordered_map</label>
-      </node>
-      <node id="20">
-        <label>cuda.h</label>
-      </node>
-      <node id="19">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="14">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="26">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
       </node>
-      <node id="8">
+      <node id="9">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
         <childnode refid="10" relation="include">
         </childnode>
         <childnode refid="11" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
       </node>
-      <node id="26">
-        <label>type_traits</label>
-      </node>
-      <node id="13">
-        <label>boost/multi_array.hpp</label>
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="35" relation="include">
         </childnode>
       </node>
-      <node id="25">
+      <node id="30">
         <label>algorithm</label>
       </node>
-      <node id="21">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="16" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
+      <node id="40">
+        <label>boost/archive/binary_iarchive.hpp</label>
+      </node>
+      <node id="41">
+        <label>boost/archive/binary_oarchive.hpp</label>
+      </node>
+      <node id="39">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
+      </node>
+      <node id="13">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="17">
+        <label>boost/multi_array.hpp</label>
       </node>
       <node id="18">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="8">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="15">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="42">
+        <label>boost/serialization/serialization.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="43">
+        <label>boost/serialization/unordered_map.hpp</label>
+      </node>
+      <node id="19">
+        <label>cassert</label>
+      </node>
+      <node id="10">
+        <label>cstdlib</label>
+      </node>
+      <node id="21">
         <label>cstring</label>
       </node>
-      <node id="6">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
+      <node id="38">
+        <label>functional</label>
       </node>
-      <node id="9">
+      <node id="20">
+        <label>iostream</label>
+      </node>
+      <node id="25">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="11">
         <label>memory</label>
       </node>
+      <node id="36">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="37">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="7">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="27">
+        <label>random</label>
+      </node>
+      <node id="22">
+        <label>stdexcept</label>
+      </node>
+      <node id="24">
+        <label>string</label>
+      </node>
+      <node id="31">
+        <label>type_traits</label>
+      </node>
+      <node id="32">
+        <label>unordered_map</label>
+      </node>
+      <node id="5">
+        <label>unordered_set</label>
+      </node>
+      <node id="12">
+        <label>utility</label>
+      </node>
+      <node id="4">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -252,60 +312,60 @@
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">std;</highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15" refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings)<sp/>:</highlight></codeline>
-<codeline lineno="16"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(settings),</highlight></codeline>
-<codeline lineno="17"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>extractor(settings,</highlight></codeline>
+<codeline lineno="15" refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>:</highlight></codeline>
+<codeline lineno="16"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>),</highlight></codeline>
+<codeline lineno="17"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="18"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>make_shared<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/>&gt;<sp/>(<ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>),</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>make_shared<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/>&gt;<sp/>(<ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>)),</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
 <codeline lineno="22"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
-<codeline lineno="25" refid="classlibmolgrid_1_1ExampleDataset_1a665d391f6484d8613be1f50fc1a82b0d" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="25" refid="classlibmolgrid_1_1ExampleDataset_1a665d391f6484d8613be1f50fc1a82b0d" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t)<sp/>:</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(settings),<sp/>extractor(settings,<sp/>t),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>t),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"></highlight></codeline>
 <codeline lineno="29"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"></highlight></codeline>
-<codeline lineno="31" refid="classlibmolgrid_1_1ExampleDataset_1ae54328bb30fea9334dcd6630f5197184" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1ExampleDataset_1ae54328bb30fea9334dcd6630f5197184" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2)<sp/>:</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(settings),<sp/>extractor(settings,<sp/>t1,<sp/>t2),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>t1,<sp/>t2),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="34"><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="37" refid="classlibmolgrid_1_1ExampleDataset_1adce540f282d1ca6938ffe7c70c53ff4f" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="37" refid="classlibmolgrid_1_1ExampleDataset_1adce540f282d1ca6938ffe7c70c53ff4f" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset::ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;<sp/>&gt;&amp;<sp/>typrs,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>molcaches)</highlight></codeline>
 <codeline lineno="39"><highlight class="normal">:</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(settings),<sp/>extractor(settings,<sp/>typrs,<sp/>molcaches),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>typrs,<sp/>molcaches),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"></highlight></codeline>
 <codeline lineno="42"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"></highlight></codeline>
-<codeline lineno="45" refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleDataset::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>num_labels)<sp/>{</highlight></codeline>
+<codeline lineno="45" refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleDataset::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="46"><highlight class="normal"><sp/><sp/>ifstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="47"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/>provider.<ref refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" kindref="member">populate</ref>(f,<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>);</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"><sp/><sp/>provider.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">setup</ref>();</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/>provider.populate(f,<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>);</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"><sp/><sp/>provider.setup();</highlight></codeline>
 <codeline lineno="50"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="53" refid="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleDataset::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>fnames,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>num_labels)<sp/>{</highlight></codeline>
+<codeline lineno="53" refid="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleDataset::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>fnames,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="54"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>fnames.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/>ifstream<sp/>f(fnames[i].c_str());</highlight></codeline>
 <codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fnames[i]);</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/>provider.<ref refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" kindref="member">populate</ref>(f,<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>);</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/>provider.populate(f,<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>);</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/>provider.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">setup</ref>();</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/>provider.setup();</highlight></codeline>
 <codeline lineno="60"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"></highlight></codeline>
 <codeline lineno="62" refid="classlibmolgrid_1_1ExampleDataset_1a3cfefbb6aa29709d7db0bdaebb8c7338" refkind="member"><highlight class="normal"><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a3cfefbb6aa29709d7db0bdaebb8c7338" kindref="member">ExampleDataset::operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>idx)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>thread_local<sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref;</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>thread_local<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>ex;</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">thread_local</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref;</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">thread_local</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>ex;</highlight></codeline>
 <codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/>ref<sp/>=<sp/>provider[idx];</highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">extract</ref>(ref,<sp/>ex);</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.extract(ref,<sp/>ex);</highlight></codeline>
 <codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ex;</highlight></codeline>
 <codeline lineno="68"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="69"><highlight class="normal"></highlight></codeline>
 <codeline lineno="70"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/example_dataset.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/example_dataset.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__dataset_8h.xml b/docs/cpp/xml/example__dataset_8h.xml
index eb794be6..7addb51e 100644
--- a/docs/cpp/xml/example__dataset_8h.xml
+++ b/docs/cpp/xml/example__dataset_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__dataset_8h" kind="file" language="C++">
     <compoundname>example_dataset.h</compoundname>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
@@ -7,25 +7,72 @@
     <includes refid="example__extractor_8h" local="yes">libmolgrid/example_extractor.h</includes>
     <includedby refid="example__dataset_8cpp" local="yes">example_dataset.cpp</includedby>
     <incdepgraph>
-      <node id="32">
-        <label>functional</label>
-      </node>
-      <node id="27">
-        <label>libmolgrid/example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="8" relation="include">
+      <node id="34">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="35" relation="include">
+        </childnode>
+        <childnode refid="36" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
+        </childnode>
+      </node>
+      <node id="22">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="23" relation="include">
         </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+      </node>
+      <node id="33">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="34" relation="include">
+        </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
+        </childnode>
+        <childnode refid="39" relation="include">
+        </childnode>
+        <childnode refid="40" relation="include">
+        </childnode>
+        <childnode refid="41" relation="include">
+        </childnode>
+        <childnode refid="42" relation="include">
+        </childnode>
+      </node>
+      <node id="5">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
       <node id="2">
@@ -37,193 +84,206 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
       </node>
-      <node id="10">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="22">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="14">
-        <label>cassert</label>
-      </node>
-      <node id="11">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="12" relation="include">
+      <node id="1">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="32" relation="include">
         </childnode>
+      </node>
+      <node id="32">
+        <label>libmolgrid/example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
         <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="33" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="4">
-        <label>unordered_set</label>
-      </node>
-      <node id="23">
+      <node id="28">
         <label>libmolgrid/exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="15" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
         <childnode refid="2" relation="include">
         </childnode>
       </node>
-      <node id="28">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="5" relation="include">
+      <node id="15">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
         </childnode>
       </node>
-      <node id="21">
-        <label>random</label>
-      </node>
-      <node id="1">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="2" relation="include">
+      <node id="25">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="29">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="30" relation="include">
+      <node id="8">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="31" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
         </childnode>
         <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+      </node>
+      <node id="27">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
       </node>
-      <node id="30">
-        <label>openbabel/atom.h</label>
+      <node id="29">
+        <label>algorithm</label>
       </node>
-      <node id="3">
-        <label>vector</label>
+      <node id="39">
+        <label>boost/archive/binary_iarchive.hpp</label>
       </node>
-      <node id="9">
-        <label>utility</label>
+      <node id="40">
+        <label>boost/archive/binary_oarchive.hpp</label>
       </node>
-      <node id="33">
+      <node id="38">
         <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
+      <node id="12">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
       <node id="16">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="18" relation="include">
-        </childnode>
-        <childnode refid="19" relation="include">
-        </childnode>
+        <label>boost/multi_array.hpp</label>
       </node>
-      <node id="31">
-        <label>openbabel/elements.h</label>
+      <node id="17">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="15">
-        <label>iostream</label>
+      <node id="7">
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="26">
-        <label>unordered_map</label>
+      <node id="14">
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="19">
-        <label>cuda.h</label>
+      <node id="41">
+        <label>boost/serialization/serialization.hpp</label>
+      </node>
+      <node id="13">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="42">
+        <label>boost/serialization/unordered_map.hpp</label>
       </node>
       <node id="18">
-        <label>cuda_runtime_api.h</label>
+        <label>cassert</label>
       </node>
-      <node id="13">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="9">
+        <label>cstdlib</label>
       </node>
-      <node id="7">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
+      <node id="20">
+        <label>cstring</label>
       </node>
-      <node id="25">
-        <label>type_traits</label>
+      <node id="37">
+        <label>functional</label>
       </node>
-      <node id="12">
-        <label>boost/multi_array.hpp</label>
+      <node id="19">
+        <label>iostream</label>
       </node>
       <node id="24">
-        <label>algorithm</label>
+        <label>libmolgrid/config.h</label>
       </node>
-      <node id="20">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="21" relation="include">
-        </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
-        </childnode>
+      <node id="10">
+        <label>memory</label>
       </node>
-      <node id="17">
-        <label>cstring</label>
+      <node id="35">
+        <label>openbabel/atom.h</label>
       </node>
-      <node id="5">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
+      <node id="36">
+        <label>openbabel/elements.h</label>
       </node>
-      <node id="8">
-        <label>memory</label>
+      <node id="6">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="26">
+        <label>random</label>
+      </node>
+      <node id="21">
+        <label>stdexcept</label>
+      </node>
+      <node id="23">
+        <label>string</label>
+      </node>
+      <node id="30">
+        <label>type_traits</label>
+      </node>
+      <node id="31">
+        <label>unordered_map</label>
+      </node>
+      <node id="4">
+        <label>unordered_set</label>
+      </node>
+      <node id="11">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
       </node>
     </incdepgraph>
     <invincdepgraph>
@@ -247,8 +307,9 @@
 <para>Created on: Apr 12, 2021 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="9"><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_DATASET_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_DATASET_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXAMPLE_DATASET_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
@@ -257,8 +318,8 @@
 <codeline lineno="15"><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_ExampleDataset</highlight></codeline>
-<codeline lineno="26" refid="classlibmolgrid_1_1ExampleDataset" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset" kindref="compound">ExampleDataset</ref><sp/>{</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_ExampleDataset</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26" refid="classlibmolgrid_1_1ExampleDataset" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref><sp/>{</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref><sp/>provider;</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>extractor;<sp/></highlight><highlight class="comment">//mutable<sp/>because<sp/>can<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>init_settings;<sp/></highlight><highlight class="comment">//save<sp/>settings<sp/>created<sp/>with</highlight><highlight class="normal"></highlight></codeline>
@@ -266,13 +327,13 @@
 <codeline lineno="31"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="32"><highlight class="normal"></highlight></codeline>
 <codeline lineno="33"><highlight class="normal"></highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>=<ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>());</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>=<ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>());</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t);</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t);</highlight></codeline>
 <codeline lineno="39"><highlight class="normal"></highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2);</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2);</highlight></codeline>
 <codeline lineno="42"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;<sp/>&gt;&amp;<sp/>typrs,</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" kindref="member">ExampleDataset</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;<sp/>&gt;&amp;<sp/>typrs,</highlight></codeline>
 <codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>molcaches<sp/>=<sp/>std::vector&lt;std::string&gt;());</highlight></codeline>
 <codeline lineno="46"><highlight class="normal"></highlight></codeline>
 <codeline lineno="47" refid="classlibmolgrid_1_1ExampleDataset_1ad38c22bd6d165cf0d195069279a30da9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad38c22bd6d165cf0d195069279a30da9" kindref="member">~ExampleDataset</ref>()<sp/>{}</highlight></codeline>
@@ -282,19 +343,19 @@
 <codeline lineno="53"><highlight class="normal"></highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a3cfefbb6aa29709d7db0bdaebb8c7338" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>idx)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="56"><highlight class="normal"></highlight></codeline>
-<codeline lineno="58" refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="58" refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider.num_labels();<sp/>}</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
-<codeline lineno="61" refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>init_settings;<sp/>}</highlight></codeline>
+<codeline lineno="61" refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>init_settings;<sp/>}</highlight></codeline>
 <codeline lineno="62"><highlight class="normal"></highlight></codeline>
-<codeline lineno="64" refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="66" refid="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="68" refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="64" refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.num_types();<sp/>}</highlight></codeline>
+<codeline lineno="66" refid="classlibmolgrid_1_1ExampleDataset_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.get_type_names();<sp/>}</highlight></codeline>
+<codeline lineno="68" refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleDataset_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider.size();<sp/>}</highlight></codeline>
 <codeline lineno="69"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="70"><highlight class="normal"></highlight></codeline>
 <codeline lineno="71"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="72"><highlight class="normal"></highlight></codeline>
 <codeline lineno="73"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_DATASET_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_dataset.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_dataset.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__extractor_8cpp.xml b/docs/cpp/xml/example__extractor_8cpp.xml
index 01d6c71b..9ed14983 100644
--- a/docs/cpp/xml/example__extractor_8cpp.xml
+++ b/docs/cpp/xml/example__extractor_8cpp.xml
@@ -1,36 +1,80 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__extractor_8cpp" kind="file" language="C++">
     <compoundname>example_extractor.cpp</compoundname>
     <includes refid="example__extractor_8h" local="yes">libmolgrid/example_extractor.h</includes>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
     <includes local="no">boost/algorithm/string.hpp</includes>
     <includes local="no">boost/filesystem/path.hpp</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes local="no">openbabel/obconversion.h</includes>
-    <includes local="no">cuda_runtime.h</includes>
     <incdepgraph>
       <node id="34">
-        <label>boost/algorithm/string.hpp</label>
-      </node>
-      <node id="32">
-        <label>functional</label>
-      </node>
-      <node id="2">
-        <label>libmolgrid/example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="3" relation="include">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="35" relation="include">
+        </childnode>
+        <childnode refid="36" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="37" relation="include">
+        </childnode>
+      </node>
+      <node id="24">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
         </childnode>
         <childnode refid="25" relation="include">
         </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+      </node>
+      <node id="33">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="34" relation="include">
+        </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
+        </childnode>
+        <childnode refid="39" relation="include">
+        </childnode>
+        <childnode refid="40" relation="include">
+        </childnode>
+        <childnode refid="41" relation="include">
+        </childnode>
+        <childnode refid="42" relation="include">
+        </childnode>
+      </node>
+      <node id="8">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
         </childnode>
       </node>
       <node id="6">
@@ -42,206 +86,222 @@
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
       </node>
-      <node id="12">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="24">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="1">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-        <childnode refid="2" relation="include">
+      <node id="2">
+        <label>libmolgrid/example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="34" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="35" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="36" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="33" relation="include">
         </childnode>
       </node>
-      <node id="16">
-        <label>cassert</label>
+      <node id="30">
+        <label>libmolgrid/exampleref_providers.h</label>
+        <link refid="exampleref__providers_8h"/>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
+        <childnode refid="32" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
       </node>
-      <node id="13">
+      <node id="17">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
         <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="7">
-        <label>unordered_set</label>
-      </node>
-      <node id="25">
-        <label>libmolgrid/exampleref_providers.h</label>
-        <link refid="exampleref__providers_8h"/>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="4" relation="include">
+      <node id="27">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
+      </node>
+      <node id="11">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-      </node>
-      <node id="28">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="8" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
-      <node id="23">
-        <label>random</label>
-      </node>
       <node id="29">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="30" relation="include">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="31" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+      </node>
+      <node id="1">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="34" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="43" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="44" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="45" relation="include">
         </childnode>
       </node>
-      <node id="35">
-        <label>boost/filesystem/path.hpp</label>
+      <node id="31">
+        <label>algorithm</label>
       </node>
-      <node id="30">
-        <label>openbabel/atom.h</label>
+      <node id="43">
+        <label>boost/algorithm/string.hpp</label>
       </node>
-      <node id="36">
-        <label>openbabel/obconversion.h</label>
+      <node id="39">
+        <label>boost/archive/binary_iarchive.hpp</label>
       </node>
-      <node id="4">
-        <label>vector</label>
+      <node id="40">
+        <label>boost/archive/binary_oarchive.hpp</label>
       </node>
-      <node id="11">
-        <label>utility</label>
+      <node id="44">
+        <label>boost/filesystem/path.hpp</label>
       </node>
-      <node id="33">
+      <node id="38">
         <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
-      <node id="18">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="19" relation="include">
-        </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="21" relation="include">
-        </childnode>
+      <node id="14">
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="31">
-        <label>openbabel/elements.h</label>
+      <node id="18">
+        <label>boost/multi_array.hpp</label>
       </node>
-      <node id="17">
-        <label>iostream</label>
+      <node id="19">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="5">
-        <label>unordered_map</label>
+      <node id="10">
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="21">
-        <label>cuda.h</label>
+      <node id="16">
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="20">
-        <label>cuda_runtime_api.h</label>
+      <node id="41">
+        <label>boost/serialization/serialization.hpp</label>
       </node>
       <node id="15">
-        <label>boost/preprocessor/repetition.hpp</label>
+        <label>boost/serialization/split_member.hpp</label>
       </node>
-      <node id="10">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
-      </node>
-      <node id="27">
-        <label>type_traits</label>
+      <node id="42">
+        <label>boost/serialization/unordered_map.hpp</label>
       </node>
-      <node id="14">
-        <label>boost/multi_array.hpp</label>
+      <node id="20">
+        <label>cassert</label>
       </node>
-      <node id="26">
-        <label>algorithm</label>
+      <node id="12">
+        <label>cstdlib</label>
       </node>
       <node id="22">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
-      </node>
-      <node id="19">
         <label>cstring</label>
       </node>
-      <node id="8">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
+      <node id="37">
+        <label>functional</label>
+      </node>
+      <node id="21">
+        <label>iostream</label>
+      </node>
+      <node id="26">
+        <label>libmolgrid/config.h</label>
       </node>
       <node id="3">
         <label>memory</label>
       </node>
+      <node id="35">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="36">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="9">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="45">
+        <label>openbabel/obconversion.h</label>
+      </node>
+      <node id="28">
+        <label>random</label>
+      </node>
+      <node id="23">
+        <label>stdexcept</label>
+      </node>
+      <node id="25">
+        <label>string</label>
+      </node>
+      <node id="32">
+        <label>type_traits</label>
+      </node>
+      <node id="5">
+        <label>unordered_map</label>
+      </node>
+      <node id="7">
+        <label>unordered_set</label>
+      </node>
+      <node id="13">
+        <label>utility</label>
+      </node>
+      <node id="4">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -261,83 +321,107 @@
 <codeline lineno="10"><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/algorithm/string.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/filesystem/path.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/obconversion.h&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;openbabel/obconversion.h&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">std;</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">OpenBabel;</highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21" refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">ExampleExtractor::extract</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref,<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex)<sp/>{</highlight></codeline>
-<codeline lineno="22"><highlight class="normal"><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref><sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;<sp/></highlight><highlight class="comment">//the<sp/>easy<sp/>part</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="21" refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">ExampleExtractor::extract</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>&amp;ref,<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>&amp;ex)<sp/>{</highlight></codeline>
+<codeline lineno="22"><highlight class="normal"><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref><sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>;<sp/></highlight><highlight class="comment">//<sp/>the<sp/>easy<sp/>part</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="23"><highlight class="normal"><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref><sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" kindref="member">group</ref>;</highlight></codeline>
 <codeline lineno="24"><highlight class="normal"><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref><sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" kindref="member">seqcont</ref>;</highlight></codeline>
 <codeline lineno="25"><highlight class="normal"></highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>each<sp/>file<sp/>in<sp/>ref,<sp/>get<sp/>a<sp/>coordinate<sp/>set<sp/>using<sp/>the<sp/>matching<sp/>typer</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>for<sp/>each<sp/>file<sp/>in<sp/>ref,<sp/>get<sp/>a<sp/>coordinate<sp/>set<sp/>using<sp/>the<sp/>matching<sp/>typer</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.clear();</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"></highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!duplicate_poses<sp/>||<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size()<sp/>&lt;<sp/>3)<sp/>{</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!duplicate_poses<sp/>||<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size()<sp/>&lt;<sp/>3)<sp/>{</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.resize(ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size());</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>fname<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i];</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i];</highlight></codeline>
 <codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>i;</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>coord_caches.size())<sp/>t<sp/>=<sp/>coord_caches.size()-1;<sp/></highlight><highlight class="comment">//repeat<sp/>last<sp/>typer<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches[t].set_coords(fname,<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i]);</highlight></codeline>
-<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="37"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//duplicate<sp/>first<sp/>pose<sp/>(receptor)<sp/>to<sp/>match<sp/>each<sp/>of<sp/>the<sp/>remaining<sp/>poses</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size()<sp/>-<sp/>1;</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.resize(N*2);</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>coord_caches[0].set_coords(ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0],<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[0]);</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1,<sp/>n<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/>fname<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i];</highlight></codeline>
-<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>i;</highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>coord_caches.size())<sp/>t<sp/>=<sp/>coord_caches.size()-1;<sp/></highlight><highlight class="comment">//repeat<sp/>last<sp/>typer<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches[t].set_coords(fname,<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[2*(i-1)+1]);</highlight></codeline>
-<codeline lineno="46"><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//duplicate<sp/>receptor<sp/>by<sp/>copying</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;<sp/>1)<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[2*(i-1)]<sp/>=<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[0];</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="52"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="53"><highlight class="normal"></highlight></codeline>
-<codeline lineno="54"><highlight class="normal"></highlight><highlight class="comment">//assume<sp/>there<sp/>are<sp/>n<sp/>files,<sp/>return<sp/>number<sp/>oftypes</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="55"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ExampleExtractor::count_types(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>i;</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(t<sp/>&gt;=<sp/>coord_caches.size())<sp/>t<sp/>=<sp/>coord_caches.size()-1;</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>coord_caches[t].num_types();</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(duplicate_poses<sp/>&amp;&amp;<sp/>coord_caches.size()<sp/>&gt;<sp/>2)<sp/>{</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>rsize<sp/>=<sp/>coord_caches[0].num_types();</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dups<sp/>=<sp/>coord_caches.size()<sp/>-<sp/>2;</highlight></codeline>
-<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>rsize*dups;</highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="68"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="69" refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">ExampleExtractor::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>count_types(coord_caches.size());</highlight></codeline>
-<codeline lineno="71"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"></highlight></codeline>
-<codeline lineno="73" refid="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">ExampleExtractor::num_types</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>count_types(ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size());</highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(t<sp/>&gt;=<sp/>coord_caches.size())</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t<sp/>=<sp/>coord_caches.size()<sp/>-<sp/>1;<sp/></highlight><highlight class="comment">//<sp/>repeat<sp/>last<sp/>typer<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches[t].set_coords(fname,<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i]);</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//<sp/>duplicate<sp/>first<sp/>pose<sp/>(receptor)<sp/>to<sp/>match<sp/>each<sp/>of<sp/>the<sp/>remaining</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>poses</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size()<sp/>-<sp/>1;</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.resize(N<sp/>*<sp/>2);</highlight></codeline>
+<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/>coord_caches[0].set_coords(ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0],<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[0]);</highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1,<sp/>n<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal"><sp/>*fname<sp/>=<sp/>ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i];</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>i;</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(t<sp/>&gt;=<sp/>coord_caches.size())</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>t<sp/>=<sp/>coord_caches.size()<sp/>-<sp/>1;<sp/></highlight><highlight class="comment">//<sp/>repeat<sp/>last<sp/>typer<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches[t].set_coords(fname,<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[2<sp/>*<sp/>(i<sp/>-<sp/>1)<sp/>+<sp/>1]);</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>duplicate<sp/>receptor<sp/>by<sp/>copying</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(i<sp/>&gt;<sp/>1)</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[2<sp/>*<sp/>(i<sp/>-<sp/>1)]<sp/>=<sp/>ex.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[0];</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="55"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"></highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight><highlight class="comment">//<sp/>assume<sp/>there<sp/>are<sp/>n<sp/>files,<sp/>return<sp/>number<sp/>oftypes</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="58"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ExampleExtractor::count_types(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>t<sp/>=<sp/>i;</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(t<sp/>&gt;=<sp/>coord_caches.size())</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>t<sp/>=<sp/>coord_caches.size()<sp/>-<sp/>1;</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>coord_caches[t].num_types();</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(duplicate_poses<sp/>&amp;&amp;<sp/>coord_caches.size()<sp/>&gt;<sp/>2)<sp/>{</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>rsize<sp/>=<sp/>coord_caches[0].num_types();</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dups<sp/>=<sp/>coord_caches.size()<sp/>-<sp/>2;</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>rsize<sp/>*<sp/>dups;</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="72"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="73" refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">ExampleExtractor::num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>count_types(coord_caches.size());</highlight></codeline>
 <codeline lineno="75"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="76"><highlight class="normal"></highlight></codeline>
-<codeline lineno="77" refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">ExampleExtractor::get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>ret;</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>coord_caches.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;string&gt;<sp/>names<sp/>=<sp/>coord_caches[i].get_type_names();</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>name<sp/>:<sp/>names)<sp/>{</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.push_back(<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(i)+</highlight><highlight class="stringliteral">&quot;_&quot;</highlight><highlight class="normal">+name);</highlight></codeline>
-<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="86"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"></highlight></codeline>
-<codeline lineno="88"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="77" refid="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">ExampleExtractor::num_types</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>&amp;ref)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>count_types(ref.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size());</highlight></codeline>
+<codeline lineno="79"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"></highlight></codeline>
+<codeline lineno="81" refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal">std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">ExampleExtractor::get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>ret;</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>coord_caches.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/>vector&lt;string&gt;<sp/>names<sp/>=<sp/>coord_caches[i].get_type_names();</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>name<sp/>:<sp/>names)<sp/>{</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.push_back(<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;_&quot;</highlight><highlight class="normal"><sp/>+<sp/>name);</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="90"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"></highlight></codeline>
+<codeline lineno="92" refid="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" kindref="member">ExampleExtractor::save_mem_caches</ref>(std::ostream<sp/>&amp;out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>&amp;c<sp/>:<sp/>coord_caches)<sp/>{</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/>c.save_mem_cache(out);</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="96"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"></highlight></codeline>
+<codeline lineno="98" refid="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" kindref="member">ExampleExtractor::load_mem_caches</ref>(std::istream<sp/>&amp;in)<sp/>{</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>&amp;c<sp/>:<sp/>coord_caches)<sp/>{</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>c.load_mem_cache(in);</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="102"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"></highlight></codeline>
+<codeline lineno="104" refid="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771" kindref="member">ExampleExtractor::mem_caches_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>num<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">auto</highlight><highlight class="normal"><sp/>&amp;c<sp/>:<sp/>coord_caches)<sp/>{</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/>num<sp/>+=<sp/>c.mem_cache_size();</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>num;</highlight></codeline>
+<codeline lineno="110"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"></highlight></codeline>
+<codeline lineno="112"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/example_extractor.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/example_extractor.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__extractor_8h.xml b/docs/cpp/xml/example__extractor_8h.xml
index 506521be..09a33cdb 100644
--- a/docs/cpp/xml/example__extractor_8h.xml
+++ b/docs/cpp/xml/example__extractor_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__extractor_8h" kind="file" language="C++">
     <compoundname>example_extractor.h</compoundname>
     <includes local="no">memory</includes>
@@ -10,28 +10,75 @@
     <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="coord__cache_8h" local="yes">libmolgrid/coord_cache.h</includes>
     <includedby refid="example__dataset_8h" local="yes">example_dataset.h</includedby>
-    <includedby refid="example__provider_8h" local="yes">example_provider.h</includedby>
     <includedby refid="example__extractor_8cpp" local="yes">example_extractor.cpp</includedby>
+    <includedby refid="example__provider_8h" local="yes">example_provider.h</includedby>
     <incdepgraph>
-      <node id="31">
-        <label>functional</label>
-      </node>
-      <node id="1">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="2" relation="include">
+      <node id="33">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="34" relation="include">
+        </childnode>
+        <childnode refid="35" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="36" relation="include">
+        </childnode>
+      </node>
+      <node id="23">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
         </childnode>
         <childnode refid="24" relation="include">
         </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+      </node>
+      <node id="32">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="33" relation="include">
+        </childnode>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
+        </childnode>
+        <childnode refid="39" relation="include">
+        </childnode>
+        <childnode refid="40" relation="include">
+        </childnode>
+        <childnode refid="41" relation="include">
+        </childnode>
+      </node>
+      <node id="7">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
       <node id="5">
@@ -43,186 +90,205 @@
         </childnode>
         <childnode refid="7" relation="include">
         </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
       </node>
-      <node id="11">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="23">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="15">
-        <label>cassert</label>
-      </node>
-      <node id="12">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="13" relation="include">
+      <node id="1">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="6">
-        <label>unordered_set</label>
-      </node>
-      <node id="24">
+      <node id="29">
         <label>libmolgrid/exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="16" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="27">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="7" relation="include">
+      <node id="16">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-      </node>
-      <node id="22">
-        <label>random</label>
-      </node>
-      <node id="28">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="29" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+      </node>
+      <node id="26">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="31" relation="include">
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
         </childnode>
-      </node>
-      <node id="29">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="3">
-        <label>vector</label>
       </node>
       <node id="10">
-        <label>utility</label>
-      </node>
-      <node id="32">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="11" relation="include">
+        </childnode>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+      </node>
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
       <node id="30">
-        <label>openbabel/elements.h</label>
+        <label>algorithm</label>
       </node>
-      <node id="16">
-        <label>iostream</label>
+      <node id="38">
+        <label>boost/archive/binary_iarchive.hpp</label>
       </node>
-      <node id="4">
-        <label>unordered_map</label>
+      <node id="39">
+        <label>boost/archive/binary_oarchive.hpp</label>
       </node>
-      <node id="20">
-        <label>cuda.h</label>
+      <node id="37">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
-      <node id="19">
-        <label>cuda_runtime_api.h</label>
+      <node id="13">
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="14">
+      <node id="17">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="18">
         <label>boost/preprocessor/repetition.hpp</label>
       </node>
       <node id="9">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="26">
-        <label>type_traits</label>
+      <node id="15">
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="13">
-        <label>boost/multi_array.hpp</label>
+      <node id="40">
+        <label>boost/serialization/serialization.hpp</label>
       </node>
-      <node id="25">
-        <label>algorithm</label>
+      <node id="14">
+        <label>boost/serialization/split_member.hpp</label>
       </node>
-      <node id="21">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="16" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
+      <node id="41">
+        <label>boost/serialization/unordered_map.hpp</label>
       </node>
-      <node id="18">
+      <node id="19">
+        <label>cassert</label>
+      </node>
+      <node id="11">
+        <label>cstdlib</label>
+      </node>
+      <node id="21">
         <label>cstring</label>
       </node>
-      <node id="7">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
+      <node id="36">
+        <label>functional</label>
+      </node>
+      <node id="20">
+        <label>iostream</label>
+      </node>
+      <node id="25">
+        <label>libmolgrid/config.h</label>
       </node>
       <node id="2">
         <label>memory</label>
       </node>
+      <node id="34">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="35">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="8">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="27">
+        <label>random</label>
+      </node>
+      <node id="22">
+        <label>stdexcept</label>
+      </node>
+      <node id="24">
+        <label>string</label>
+      </node>
+      <node id="31">
+        <label>type_traits</label>
+      </node>
+      <node id="4">
+        <label>unordered_map</label>
+      </node>
+      <node id="6">
+        <label>unordered_set</label>
+      </node>
+      <node id="12">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
+      <node id="2">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+      </node>
       <node id="1">
         <label>example_extractor.h</label>
         <link refid="example__extractor_8h"/>
@@ -230,33 +296,27 @@
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
-      </node>
-      <node id="6">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="2">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="4">
+      <node id="5">
         <label>example_provider.h</label>
         <link refid="example__provider_8h"/>
-        <childnode refid="5" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="5">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
       <node id="3">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="4">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="6">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1ExampleExtractor" prot="public">libmolgrid::ExampleExtractor</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -267,8 +327,9 @@
 <para>Created on: Mar 25, 2019 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="10"><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_EXTRACTOR_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_EXTRACTOR_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXAMPLE_EXTRACTOR_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;memory&gt;</highlight><highlight class="normal"></highlight></codeline>
@@ -281,7 +342,7 @@
 <codeline lineno="20"><highlight class="normal"></highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"></highlight></codeline>
-<codeline lineno="32" refid="classlibmolgrid_1_1ExampleExtractor" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>{</highlight></codeline>
+<codeline lineno="32" refid="classlibmolgrid_1_1ExampleExtractor" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleExtractor_1ab7d66331e008ab169c9db0f34d441187" kindref="member">ExampleExtractor</ref><sp/>{</highlight></codeline>
 <codeline lineno="33"><highlight class="normal"></highlight></codeline>
 <codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;CoordCache&gt;<sp/>coord_caches;<sp/></highlight><highlight class="comment">//different<sp/>typers<sp/>have<sp/>duplicated<sp/>caches</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>duplicate_poses<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
@@ -305,40 +366,59 @@
 <codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(typrs.size()<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>at<sp/>least<sp/>one<sp/>atom<sp/>typer<sp/>for<sp/>example<sp/>extractor&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//if<sp/>molcaches<sp/>not<sp/>provided,<sp/>get<sp/>them<sp/>from<sp/>settings</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(molcaches.size()<sp/>==<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(settings.recmolcache.length()<sp/>&gt;<sp/>0)<sp/>molcaches.push_back(settings.recmolcache);</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(settings.ligmolcache.length()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">while</highlight><highlight class="normal">(molcaches.size()<sp/>&lt;<sp/>typrs.size())<sp/>{</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>if(settings.recmolcache.length()<sp/>&gt;<sp/>0)<sp/>molcaches.push_back(settings.recmolcache);</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>if(settings.ligmolcache.length()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>while(molcaches.size()<sp/>&lt;<sp/>typrs.size())<sp/>{</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>molcaches.push_back(settings.ligmolcache);</highlight></codeline>
 <codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="65"><highlight class="normal"></highlight></codeline>
 <codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>typrs.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&lt;<sp/>molcaches.size())<sp/>{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches.push_back(<ref refid="classlibmolgrid_1_1CoordCache" kindref="compound">CoordCache</ref>(typrs[i],<sp/>settings,<sp/>molcaches[i]));</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>if(i<sp/>&lt;<sp/>molcaches.size())<sp/>{</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches.push_back(CoordCache(typrs[i],<sp/>settings,<sp/>molcaches[i]));</highlight></codeline>
 <codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches.push_back(<ref refid="classlibmolgrid_1_1CoordCache" kindref="compound">CoordCache</ref>(typrs[i],<sp/>settings));</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>coord_caches.push_back(CoordCache(typrs[i],<sp/>settings));</highlight></codeline>
 <codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="74"><highlight class="normal"></highlight></codeline>
 <codeline lineno="75" refid="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ab6df92373d981fbc87c81346cf8af157" kindref="member">~ExampleExtractor</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="76"><highlight class="normal"></highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">extract</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref,<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex);</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>extract(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref,<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex);</highlight></codeline>
 <codeline lineno="79"><highlight class="normal"></highlight></codeline>
 <codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>if<sp/>implicit<sp/>typing<sp/>is<sp/>being<sp/>used</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>num_types()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="84"><highlight class="normal"></highlight></codeline>
 <codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>return<sp/>number<sp/>types<sp/>(channels)<sp/>ref<sp/>will<sp/>produce</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>num_types(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ref)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="87"><highlight class="normal"></highlight></codeline>
-<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="91"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="94"><highlight class="normal"></highlight></codeline>
-<codeline lineno="95"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_EXTRACTOR_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/>get_type_names()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"></highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>save_mem_caches(std::ostream<sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/></highlight></codeline>
+<codeline lineno="101" refid="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" kindref="member">save_mem_caches</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/>std::ofstream<sp/>out(fname.c_str());</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!out)</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" kindref="member">save_mem_caches</ref>(out);</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"></highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>load_mem_caches(std::istream<sp/>&amp;in);</highlight></codeline>
+<codeline lineno="115" refid="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" kindref="member">load_mem_caches</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)<sp/>{</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/>std::ifstream<sp/>in(fname.c_str());</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!in)</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>load<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" kindref="member">load_mem_caches</ref>(in);</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"></highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>mem_caches_size()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;<sp/><sp/><sp/><sp/></highlight></codeline>
+<codeline lineno="123"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"></highlight></codeline>
+<codeline lineno="125"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="126"><highlight class="normal"></highlight></codeline>
+<codeline lineno="127"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_EXTRACTOR_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_extractor.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_extractor.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__provider_8cpp.xml b/docs/cpp/xml/example__provider_8cpp.xml
index defaf44b..aa1a83c8 100644
--- a/docs/cpp/xml/example__provider_8cpp.xml
+++ b/docs/cpp/xml/example__provider_8cpp.xml
@@ -1,29 +1,76 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__provider_8cpp" kind="file" language="C++">
     <compoundname>example_provider.cpp</compoundname>
     <includes refid="example__provider_8h" local="yes">libmolgrid/example_provider.h</includes>
     <includes refid="atom__typer_8h" local="yes">libmolgrid/atom_typer.h</includes>
     <incdepgraph>
-      <node id="33">
-        <label>functional</label>
-      </node>
-      <node id="28">
-        <label>libmolgrid/example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="9" relation="include">
+      <node id="35">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="36" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
+        </childnode>
+      </node>
+      <node id="23">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
         </childnode>
         <childnode refid="24" relation="include">
         </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+      </node>
+      <node id="34">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="35" relation="include">
+        </childnode>
         <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="39" relation="include">
+        </childnode>
+        <childnode refid="40" relation="include">
+        </childnode>
+        <childnode refid="41" relation="include">
+        </childnode>
+        <childnode refid="42" relation="include">
+        </childnode>
+        <childnode refid="43" relation="include">
+        </childnode>
+      </node>
+      <node id="6">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
       <node id="3">
@@ -35,202 +82,215 @@
         </childnode>
         <childnode refid="6" relation="include">
         </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
       </node>
-      <node id="11">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="23">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="15">
-        <label>cassert</label>
-      </node>
-      <node id="12">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="13" relation="include">
+      <node id="29">
+        <label>libmolgrid/example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="34" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="5">
-        <label>unordered_set</label>
+      <node id="2">
+        <label>libmolgrid/example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
       </node>
-      <node id="24">
+      <node id="31">
         <label>libmolgrid/exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="16" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="33" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
       </node>
-      <node id="29">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="6" relation="include">
+      <node id="16">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="34" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-      </node>
-      <node id="22">
-        <label>random</label>
-      </node>
-      <node id="30">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="31" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
+      </node>
+      <node id="26">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
         <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
         </childnode>
       </node>
-      <node id="31">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="4">
-        <label>vector</label>
-      </node>
-      <node id="2">
-        <label>libmolgrid/example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="3" relation="include">
+      <node id="9">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-      </node>
-      <node id="10">
-        <label>utility</label>
-      </node>
-      <node id="34">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="9" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
-      <node id="32">
-        <label>openbabel/elements.h</label>
-      </node>
-      <node id="16">
-        <label>iostream</label>
-      </node>
-      <node id="27">
-        <label>unordered_map</label>
-      </node>
-      <node id="20">
-        <label>cuda.h</label>
-      </node>
-      <node id="19">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="14">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>example_provider.cpp</label>
         <link refid="example__provider_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="35" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
+      <node id="32">
+        <label>algorithm</label>
       </node>
-      <node id="26">
-        <label>type_traits</label>
+      <node id="40">
+        <label>boost/archive/binary_iarchive.hpp</label>
+      </node>
+      <node id="41">
+        <label>boost/archive/binary_oarchive.hpp</label>
+      </node>
+      <node id="39">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
       <node id="13">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="17">
         <label>boost/multi_array.hpp</label>
       </node>
-      <node id="25">
-        <label>algorithm</label>
+      <node id="18">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="21">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="16" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
+      <node id="8">
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="18">
+      <node id="15">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="42">
+        <label>boost/serialization/serialization.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="43">
+        <label>boost/serialization/unordered_map.hpp</label>
+      </node>
+      <node id="19">
+        <label>cassert</label>
+      </node>
+      <node id="10">
+        <label>cstdlib</label>
+      </node>
+      <node id="21">
         <label>cstring</label>
       </node>
-      <node id="6">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
+      <node id="38">
+        <label>functional</label>
       </node>
-      <node id="9">
+      <node id="20">
+        <label>iostream</label>
+      </node>
+      <node id="25">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="11">
         <label>memory</label>
       </node>
+      <node id="36">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="37">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="7">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="27">
+        <label>random</label>
+      </node>
+      <node id="22">
+        <label>stdexcept</label>
+      </node>
+      <node id="24">
+        <label>string</label>
+      </node>
+      <node id="33">
+        <label>type_traits</label>
+      </node>
+      <node id="30">
+        <label>unordered_map</label>
+      </node>
+      <node id="5">
+        <label>unordered_set</label>
+      </node>
+      <node id="12">
+        <label>utility</label>
+      </node>
+      <node id="4">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -252,31 +312,31 @@
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">std;</highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15" refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings)<sp/>:</highlight></codeline>
-<codeline lineno="16"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(createProvider(settings)),</highlight></codeline>
-<codeline lineno="17"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>extractor(settings,</highlight></codeline>
+<codeline lineno="15" refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>:</highlight></codeline>
+<codeline lineno="16"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)),</highlight></codeline>
+<codeline lineno="17"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="18"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>make_shared<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/>&gt;<sp/>(<ref refid="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" kindref="member">defaultGninaReceptorTyper</ref>),</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>make_shared<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref><sp/>&gt;<sp/>(<ref refid="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" kindref="member">defaultGninaLigandTyper</ref>)),</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
 <codeline lineno="22"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
-<codeline lineno="25" refid="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="25" refid="classlibmolgrid_1_1ExampleProvider_1a8a2bae611b9df84ef7d3a65cb0406250" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t)<sp/>:</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(createProvider(settings)),<sp/>extractor(settings,<sp/>t),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>t),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"></highlight></codeline>
 <codeline lineno="29"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"></highlight></codeline>
-<codeline lineno="31" refid="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1ExampleProvider_1acaf924a94e0b8d14689fb68bbd01e0f7" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2)<sp/>:</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(createProvider(settings)),<sp/>extractor(settings,<sp/>t1,<sp/>t2),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>t1,<sp/>t2),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="34"><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="37" refid="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,</highlight></codeline>
+<codeline lineno="37" refid="classlibmolgrid_1_1ExampleProvider_1ac557999e073c14e5001137006e1affeb" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider::ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
 <codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;<sp/>&gt;&amp;<sp/>typrs,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>molcaches)</highlight></codeline>
 <codeline lineno="39"><highlight class="normal">:</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(createProvider(settings)),<sp/>extractor(settings,<sp/>typrs,<sp/>molcaches),<sp/>init_settings(settings)<sp/>{</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>provider(<ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)),<sp/>extractor(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,<sp/>typrs,<sp/>molcaches),<sp/>init_settings(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"></highlight></codeline>
 <codeline lineno="42"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"></highlight></codeline>
@@ -286,14 +346,14 @@
 <codeline lineno="48"><highlight class="normal"></highlight></codeline>
 <codeline lineno="49"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="50"><highlight class="normal"></highlight></codeline>
-<codeline lineno="52" refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleProvider::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>num_labels)<sp/>{</highlight></codeline>
+<codeline lineno="52" refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleProvider::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="53"><highlight class="normal"><sp/><sp/>ifstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="54"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fname);</highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/>provider-&gt;populate(f,<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>);</highlight></codeline>
 <codeline lineno="56"><highlight class="normal"><sp/><sp/>provider-&gt;setup();</highlight></codeline>
 <codeline lineno="57"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"></highlight></codeline>
-<codeline lineno="60" refid="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleProvider::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>fnames,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>num_labels)<sp/>{</highlight></codeline>
+<codeline lineno="60" refid="classlibmolgrid_1_1ExampleProvider_1af9aa38f73a7aa43fa0ba78d05d9c20fe" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">ExampleProvider::populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>fnames,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>fnames.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/>ifstream<sp/>f(fnames[i].c_str());</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>fnames[i]);</highlight></codeline>
@@ -302,13 +362,13 @@
 <codeline lineno="66"><highlight class="normal"><sp/><sp/>provider-&gt;setup();</highlight></codeline>
 <codeline lineno="67"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="68"><highlight class="normal"></highlight></codeline>
-<codeline lineno="70" refid="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">ExampleProvider::next</ref>(<ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex)<sp/>{</highlight></codeline>
-<codeline lineno="71"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>thread_local<sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref;</highlight></codeline>
+<codeline lineno="70" refid="classlibmolgrid_1_1ExampleProvider_1ad04cc9d97399f697fbc874ecfd8109b9" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">ExampleProvider::next</ref>(<ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex)<sp/>{</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">thread_local</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref;</highlight></codeline>
 <codeline lineno="72"><highlight class="normal"><sp/><sp/>provider-&gt;nextref(ref);</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">extract</ref>(ref,<sp/>ex);</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/>extractor.extract(ref,<sp/>ex);</highlight></codeline>
 <codeline lineno="74"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"></highlight></codeline>
-<codeline lineno="77" refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" refkind="member"><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">ExampleProvider::next_batch</ref>(std::vector&lt;Example&gt;&amp;<sp/>ex,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size)<sp/>{</highlight></codeline>
+<codeline lineno="77" refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">ExampleProvider::next_batch</ref>(std::vector&lt;Example&gt;&amp;<sp/>ex,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size)<sp/>{</highlight></codeline>
 <codeline lineno="78"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>vector&lt;ExampleRef&gt;<sp/>refs;</highlight></codeline>
 <codeline lineno="79"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(batch_size<sp/>==<sp/>0)<sp/>{</highlight></codeline>
 <codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/>batch_size<sp/>=<sp/>init_settings.default_batch_size;</highlight></codeline>
@@ -318,7 +378,7 @@
 <codeline lineno="84"><highlight class="normal"><sp/><sp/>provider-&gt;check_batch_size(batch_size);</highlight></codeline>
 <codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>batch_size;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/>provider-&gt;nextref(refs[i]);</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" kindref="member">extract</ref>(refs[i],<sp/>ex[i]);</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.extract(refs[i],<sp/>ex[i]);</highlight></codeline>
 <codeline lineno="88"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="89"><highlight class="normal"></highlight></codeline>
 <codeline lineno="90"><highlight class="normal">}</highlight></codeline>
@@ -332,11 +392,11 @@
 <codeline lineno="98"><highlight class="normal"></highlight></codeline>
 <codeline lineno="99"><highlight class="normal"></highlight></codeline>
 <codeline lineno="100" refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" refkind="member"><highlight class="normal">std::shared_ptr&lt;ExampleRefProvider&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">ExampleProvider::createProvider</ref>(</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings)<sp/>{</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>balanced<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>.balanced;</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>strat_receptor<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>.stratify_receptor;</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>strat_aff<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>.stratify_max<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>.stratify_min;</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>grouped<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>.max_group_size<sp/>&gt;<sp/>1;</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>balanced<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>.balanced;</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>strat_receptor<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>.stratify_receptor;</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>strat_aff<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>.stratify_max<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>.stratify_min;</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>grouped<sp/>=<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>.max_group_size<sp/>&gt;<sp/>1;</highlight></codeline>
 <codeline lineno="106"><highlight class="normal"></highlight></codeline>
 <codeline lineno="107"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//strat_aff<sp/>&gt;<sp/>strat_receptor<sp/>&gt;<sp/>balanced</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="108"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(strat_aff)</highlight></codeline>
@@ -350,12 +410,12 @@
 <codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider</ref>&lt;</highlight></codeline>
 <codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>&lt;</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>,<sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>,<sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider</ref>&lt;</highlight></codeline>
 <codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>&lt;</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>,<sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>,<sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="comment">//sample<sp/>1<sp/>from<sp/>each<sp/>receptor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
@@ -364,12 +424,12 @@
 <codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider</ref>&lt;</highlight></codeline>
 <codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>&lt;</highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref>&gt;<sp/>&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref>&gt;<sp/>&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider</ref>&lt;</highlight></codeline>
 <codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider&lt;UniformExampleRefProvider&gt;</ref><sp/>&gt;</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
@@ -380,11 +440,11 @@
 <codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider&lt;BalancedExampleRefProvider&gt;</ref><sp/>&gt;</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider&lt;BalancedExampleRefProvider&gt;</ref></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="comment">//sample<sp/>1<sp/>from<sp/>each<sp/>receptor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
@@ -392,11 +452,11 @@
 <codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider&lt;UniformExampleRefProvider&gt;</ref><sp/>&gt;</highlight></codeline>
-<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider&lt;UniformExampleRefProvider&gt;</ref></highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="168"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
@@ -408,11 +468,11 @@
 <codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>&lt;<ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>,</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>2&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider&lt;BalancedExampleRefProvider, 2&gt;</ref></highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="comment">//sample<sp/>1<sp/>from<sp/>each<sp/>receptor</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="184"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
@@ -420,33 +480,33 @@
 <codeline lineno="186"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref>&lt;</highlight></codeline>
 <codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>&lt;<ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref>,</highlight></codeline>
-<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>1&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>1&gt;<sp/>&gt;<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared</highlight></codeline>
 <codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider&lt;UniformExampleRefProvider, 1&gt;</ref></highlight></codeline>
-<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="195"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="196"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(balanced)</highlight></codeline>
 <codeline lineno="197"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
 <codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(grouped)</highlight></codeline>
 <codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>GroupedExampleRefProvider&lt;BalancedExampleRefProvider&gt;</highlight></codeline>
-<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="201"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>BalancedExampleRefProvider<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>BalancedExampleRefProvider<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="203"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="204"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="205"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
 <codeline lineno="206"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(grouped)</highlight></codeline>
 <codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>GroupedExampleRefProvider&lt;UniformExampleRefProvider&gt;</highlight></codeline>
-<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>UniformExampleRefProvider<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_shared<sp/>&lt;<sp/>UniformExampleRefProvider<sp/>&gt;<sp/>(<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
 <codeline lineno="211"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="212"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="213"><highlight class="normal"></highlight></codeline>
 <codeline lineno="214"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/example_provider.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/example_provider.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/example__provider_8h.xml b/docs/cpp/xml/example__provider_8h.xml
index f4a0fc3b..8e50c66c 100644
--- a/docs/cpp/xml/example__provider_8h.xml
+++ b/docs/cpp/xml/example__provider_8h.xml
@@ -1,31 +1,78 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="example__provider_8h" kind="file" language="C++">
     <compoundname>example_provider.h</compoundname>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
-    <includes refid="exampleref__providers_8h" local="yes">libmolgrid/exampleref_providers.h</includes>
     <includes refid="example__extractor_8h" local="yes">libmolgrid/example_extractor.h</includes>
+    <includes refid="exampleref__providers_8h" local="yes">libmolgrid/exampleref_providers.h</includes>
     <includedby refid="example__provider_8cpp" local="yes">example_provider.cpp</includedby>
     <incdepgraph>
-      <node id="32">
-        <label>functional</label>
-      </node>
-      <node id="27">
-        <label>libmolgrid/example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="8" relation="include">
+      <node id="34">
+        <label>libmolgrid/atom_typer.h</label>
+        <link refid="atom__typer_8h"/>
+        <childnode refid="35" relation="include">
+        </childnode>
+        <childnode refid="36" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="37" relation="include">
+        </childnode>
+      </node>
+      <node id="22">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="23" relation="include">
         </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+      </node>
+      <node id="33">
+        <label>libmolgrid/coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="34" relation="include">
+        </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="38" relation="include">
+        </childnode>
+        <childnode refid="39" relation="include">
+        </childnode>
+        <childnode refid="40" relation="include">
+        </childnode>
+        <childnode refid="41" relation="include">
+        </childnode>
+        <childnode refid="42" relation="include">
+        </childnode>
+      </node>
+      <node id="5">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
       <node id="2">
@@ -37,194 +84,207 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
       </node>
-      <node id="10">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="22">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="14">
-        <label>cassert</label>
-      </node>
-      <node id="11">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="12" relation="include">
+      <node id="28">
+        <label>libmolgrid/example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="33" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="4">
-        <label>unordered_set</label>
+      <node id="1">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
       </node>
-      <node id="23">
+      <node id="30">
         <label>libmolgrid/exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="15" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
         <childnode refid="2" relation="include">
         </childnode>
       </node>
-      <node id="28">
-        <label>libmolgrid/coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="5" relation="include">
+      <node id="15">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="33" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-      </node>
-      <node id="21">
-        <label>random</label>
-      </node>
-      <node id="29">
-        <label>libmolgrid/atom_typer.h</label>
-        <link refid="atom__typer_8h"/>
-        <childnode refid="30" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="31" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
+      </node>
+      <node id="25">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
         <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="30">
-        <label>openbabel/atom.h</label>
-      </node>
-      <node id="3">
-        <label>vector</label>
-      </node>
-      <node id="1">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="2" relation="include">
+      <node id="8">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-      </node>
-      <node id="9">
-        <label>utility</label>
-      </node>
-      <node id="33">
-        <label>boost/iostreams/device/mapped_file.hpp</label>
-      </node>
-      <node id="16">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="8" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="15" relation="include">
+        </childnode>
+      </node>
+      <node id="27">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
         </childnode>
       </node>
       <node id="31">
-        <label>openbabel/elements.h</label>
+        <label>algorithm</label>
       </node>
-      <node id="15">
-        <label>iostream</label>
+      <node id="39">
+        <label>boost/archive/binary_iarchive.hpp</label>
       </node>
-      <node id="26">
-        <label>unordered_map</label>
+      <node id="40">
+        <label>boost/archive/binary_oarchive.hpp</label>
       </node>
-      <node id="19">
-        <label>cuda.h</label>
+      <node id="38">
+        <label>boost/iostreams/device/mapped_file.hpp</label>
       </node>
-      <node id="18">
-        <label>cuda_runtime_api.h</label>
+      <node id="12">
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="13">
+      <node id="16">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="17">
         <label>boost/preprocessor/repetition.hpp</label>
       </node>
       <node id="7">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="25">
-        <label>type_traits</label>
+      <node id="14">
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="12">
-        <label>boost/multi_array.hpp</label>
+      <node id="41">
+        <label>boost/serialization/serialization.hpp</label>
       </node>
-      <node id="24">
-        <label>algorithm</label>
+      <node id="13">
+        <label>boost/serialization/split_member.hpp</label>
       </node>
-      <node id="20">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="21" relation="include">
-        </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
-        </childnode>
+      <node id="42">
+        <label>boost/serialization/unordered_map.hpp</label>
       </node>
-      <node id="17">
+      <node id="18">
+        <label>cassert</label>
+      </node>
+      <node id="9">
+        <label>cstdlib</label>
+      </node>
+      <node id="20">
         <label>cstring</label>
       </node>
-      <node id="5">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
+      <node id="37">
+        <label>functional</label>
       </node>
-      <node id="8">
+      <node id="19">
+        <label>iostream</label>
+      </node>
+      <node id="24">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="10">
         <label>memory</label>
       </node>
+      <node id="35">
+        <label>openbabel/atom.h</label>
+      </node>
+      <node id="36">
+        <label>openbabel/elements.h</label>
+      </node>
+      <node id="6">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="26">
+        <label>random</label>
+      </node>
+      <node id="21">
+        <label>stdexcept</label>
+      </node>
+      <node id="23">
+        <label>string</label>
+      </node>
+      <node id="32">
+        <label>type_traits</label>
+      </node>
+      <node id="29">
+        <label>unordered_map</label>
+      </node>
+      <node id="4">
+        <label>unordered_set</label>
+      </node>
+      <node id="11">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
       <node id="1">
@@ -247,99 +307,133 @@
 <para>Created on: Mar 26, 2019 Author: dkoes </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="9"><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_PROVIDER_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_PROVIDER_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXAMPLE_PROVIDER_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="exampleref__providers_8h" kindref="compound">libmolgrid/exampleref_providers.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example__extractor_8h" kindref="compound">libmolgrid/example_extractor.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example__extractor_8h" kindref="compound">libmolgrid/example_extractor.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="exampleref__providers_8h" kindref="compound">libmolgrid/exampleref_providers.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_ExampleProvider</highlight></codeline>
-<codeline lineno="29" refid="classlibmolgrid_1_1ExampleProvider" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider" kindref="compound">ExampleProvider</ref><sp/>{</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;ExampleRefProvider&gt;<sp/>provider;</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>extractor;</highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>init_settings;<sp/></highlight><highlight class="comment">//save<sp/>settings<sp/>created<sp/>with</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>last_epoch<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"></highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>std::shared_ptr&lt;ExampleRefProvider&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>);</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"></highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>=<ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>());</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t);</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2);</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_ExampleProvider</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="30" refid="classlibmolgrid_1_1ExampleProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref><sp/>{</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/>std::shared_ptr&lt;ExampleRefProvider&gt;<sp/>provider;</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>extractor;</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>init_settings;<sp/></highlight><highlight class="comment">//<sp/>save<sp/>settings<sp/>created<sp/>with</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>last_epoch<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"></highlight></codeline>
+<codeline lineno="36"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>std::shared_ptr&lt;ExampleRefProvider&gt;</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af53336000ea2b0e977ac8b9378ad544f" kindref="member">createProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>);</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"></highlight></codeline>
+<codeline lineno="42"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>());</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"></highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t);</highlight></codeline>
 <codeline lineno="48"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;<sp/>&gt;&amp;<sp/>typrs,</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>molcaches<sp/>=<sp/>std::vector&lt;std::string&gt;());</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t1,<sp/>std::shared_ptr&lt;AtomTyper&gt;<sp/>t2);</highlight></codeline>
 <codeline lineno="52"><highlight class="normal"></highlight></codeline>
-<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(std::shared_ptr&lt;ExampleRefProvider&gt;<sp/>p,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref>&amp;<sp/>e);</highlight></codeline>
-<codeline lineno="55" refid="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637" kindref="member">~ExampleProvider</ref>()<sp/>{}</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"></highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>=-1);</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>fnames,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>=-1);</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"></highlight></codeline>
-<codeline lineno="63" refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;num_labels();<sp/>}</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>(<ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>ex);</highlight></codeline>
-<codeline lineno="67" refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>()<sp/>{<sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>ex;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>(ex);<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ex;<sp/>}</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"></highlight></codeline>
-<codeline lineno="76" refid="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" kindref="member">get_small_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;get_small_epoch_num();<sp/>}</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"></highlight></codeline>
-<codeline lineno="85" refid="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" kindref="member">get_large_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;get_large_epoch_num();<sp/>}</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"></highlight></codeline>
-<codeline lineno="88" refid="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" kindref="member">small_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;small_epoch_size();<sp/>}</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"></highlight></codeline>
-<codeline lineno="91" refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" kindref="member">large_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;large_epoch_size();<sp/>}</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="94" refid="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>()<sp/>{<sp/>provider-&gt;reset();<sp/>}</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"></highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25" kindref="member">skip</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n);</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"></highlight></codeline>
-<codeline lineno="100" refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kindref="member">settings</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>init_settings;<sp/>}</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"></highlight></codeline>
-<codeline lineno="102"><highlight class="normal"></highlight></codeline>
-<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">next_batch</ref>(std::vector&lt;Example&gt;&amp;<sp/>ex,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size=0);</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"></highlight></codeline>
-<codeline lineno="106" refid="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" kindref="member">next_batch</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size=0)<sp/>{</highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>std::vector&lt;Example&gt;<sp/>ex;</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">next_batch</ref>(ex,<sp/>batch_size);</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ex;</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"></highlight></codeline>
-<codeline lineno="115" refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" kindref="member">at_new_epoch</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(init_settings.iteration_scheme<sp/>==<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979ad3a968bec5e354aeb80f8cabccc217bc" kindref="member">LargeEpoch</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>e<sp/>=<sp/>provider-&gt;get_large_epoch_num();</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(e<sp/>!=<sp/>last_epoch)<sp/>{</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>last_epoch<sp/>=<sp/>e;</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(init_settings.iteration_scheme<sp/>==<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979addfac8fdd5983a95c0cf43ffbcacef4f" kindref="member">SmallEpoch</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>e<sp/>=<sp/>provider-&gt;get_small_epoch_num();</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(e<sp/>!=<sp/>last_epoch)<sp/>{</highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>last_epoch<sp/>=<sp/>e;</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="131"><highlight class="normal"></highlight></codeline>
-<codeline lineno="132" refid="classlibmolgrid_1_1ExampleProvider_1a23ca85aec357cd4b99a3ed80b70ffed7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a23ca85aec357cd4b99a3ed80b70ffed7" kindref="member">get_extractor</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor;<sp/>}</highlight></codeline>
-<codeline lineno="133" refid="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610" kindref="member">get_provider</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*provider;<sp/>}</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>,</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::shared_ptr&lt;AtomTyper&gt;&gt;<sp/>&amp;typrs,</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/>&amp;molcaches<sp/>=<sp/>std::vector&lt;std::string&gt;());</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"></highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" kindref="member">ExampleProvider</ref>(std::shared_ptr&lt;ExampleRefProvider&gt;<sp/>p,</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>&amp;e);</highlight></codeline>
+<codeline lineno="62" refid="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aab34bd38942e6e3e441152bc84bd1637" kindref="member">~ExampleProvider</ref>()<sp/>{}</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"></highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref><sp/>=<sp/>-1);</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1af034c26f3c6c9d88821e1db792e4e874" kindref="member">populate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;<sp/>&amp;fnames,</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref><sp/>=<sp/>-1);</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight></codeline>
+<codeline lineno="72" refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;num_labels();<sp/>}</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"></highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>(<ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>&amp;ex);</highlight></codeline>
+<codeline lineno="76" refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>()<sp/>{</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref><sp/>ex;</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e452f30328eb48d0549e8e107a1327e" kindref="member">next</ref>(ex);</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ex;</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"></highlight></codeline>
+<codeline lineno="90" refid="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a5edd8a3461f4aa311675b712ae2e1d20" kindref="member">get_small_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;get_small_epoch_num();</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102" refid="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ac881e6a758225142e37f3811184b156c" kindref="member">get_large_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;get_large_epoch_num();</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"></highlight></codeline>
+<codeline lineno="107" refid="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a9c66646cb491b4c4620dcfe627f5451d" kindref="member">small_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;small_epoch_size();</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"></highlight></codeline>
+<codeline lineno="112" refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" kindref="member">large_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;large_epoch_size();</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"></highlight></codeline>
+<codeline lineno="117" refid="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>()<sp/>{<sp/>provider-&gt;reset();<sp/>}</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"></highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25" kindref="member">skip</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n);</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"></highlight></codeline>
+<codeline lineno="123" refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kindref="member">settings</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>init_settings;<sp/>}</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"></highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">next_batch</ref>(std::vector&lt;Example&gt;<sp/>&amp;ex,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size<sp/>=<sp/>0);</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"></highlight></codeline>
+<codeline lineno="129" refid="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" kindref="member">next_batch</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size<sp/>=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;Example&gt;<sp/>ex;</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kindref="member">next_batch</ref>(ex,<sp/>batch_size);</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ex;</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="134"><highlight class="normal"></highlight></codeline>
-<codeline lineno="136" refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="138" refid="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.<ref refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="140" refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;size();<sp/>}</highlight></codeline>
-<codeline lineno="141"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"></highlight></codeline>
-<codeline lineno="143"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="144"><highlight class="normal"></highlight></codeline>
-<codeline lineno="145"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_PROVIDER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="138" refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" kindref="member">at_new_epoch</ref>()<sp/>{</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(init_settings.iteration_scheme<sp/>==<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979ad3a968bec5e354aeb80f8cabccc217bc" kindref="member">LargeEpoch</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>e<sp/>=<sp/>provider-&gt;get_large_epoch_num();</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(e<sp/>!=<sp/>last_epoch)<sp/>{</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>last_epoch<sp/>=<sp/>e;</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(init_settings.iteration_scheme<sp/>==<sp/><ref refid="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979addfac8fdd5983a95c0cf43ffbcacef4f" kindref="member">SmallEpoch</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>e<sp/>=<sp/>provider-&gt;get_small_epoch_num();</highlight></codeline>
+<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(e<sp/>!=<sp/>last_epoch)<sp/>{</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>last_epoch<sp/>=<sp/>e;</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"></highlight></codeline>
+<codeline lineno="155" refid="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleExtractor" kindref="compound">ExampleExtractor</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473" kindref="member">get_extractor</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor;<sp/>}</highlight></codeline>
+<codeline lineno="156" refid="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64" kindref="member">get_provider</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*provider;<sp/>}</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"></highlight></codeline>
+<codeline lineno="159" refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" kindref="member">num_types</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.num_types();<sp/>}</highlight></codeline>
+<codeline lineno="161" refid="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6" refkind="member"><highlight class="normal"><sp/><sp/>std::vector&lt;std::string&gt;<sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6" kindref="member">get_type_names</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.get_type_names();</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="165" refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>provider-&gt;size();<sp/>}</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight></codeline>
+<codeline lineno="171" refid="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002" kindref="member">save_mem_caches</ref>(std::ostream<sp/>&amp;out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.save_mem_caches(out);</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="174"><highlight class="normal"></highlight></codeline>
+<codeline lineno="178" refid="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a" kindref="member">save_mem_caches</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/>extractor.save_mem_caches(fname);</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"></highlight></codeline>
+<codeline lineno="185" refid="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52" kindref="member">load_mem_caches</ref>(std::istream<sp/>&amp;in)<sp/>{<sp/>extractor.load_mem_caches(in);<sp/>}</highlight></codeline>
+<codeline lineno="189" refid="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd" kindref="member">load_mem_caches</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string<sp/>&amp;fname)<sp/>{<sp/>extractor.load_mem_caches(fname);<sp/>}</highlight></codeline>
+<codeline lineno="190"><highlight class="normal"></highlight></codeline>
+<codeline lineno="191" refid="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771" kindref="member">mem_caches_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>extractor.mem_caches_size();<sp/>}</highlight></codeline>
+<codeline lineno="192"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"></highlight></codeline>
+<codeline lineno="194"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="195"><highlight class="normal"></highlight></codeline>
+<codeline lineno="196"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_PROVIDER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example_provider.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example_provider.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/exampleref__providers_8cpp.xml b/docs/cpp/xml/exampleref__providers_8cpp.xml
index 32dbc656..f15fe5eb 100644
--- a/docs/cpp/xml/exampleref__providers_8cpp.xml
+++ b/docs/cpp/xml/exampleref__providers_8cpp.xml
@@ -1,55 +1,51 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="exampleref__providers_8cpp" kind="file" language="C++">
     <compoundname>exampleref_providers.cpp</compoundname>
     <includes refid="exampleref__providers_8h" local="yes">libmolgrid/exampleref_providers.h</includes>
     <includes local="no">boost/algorithm/string.hpp</includes>
     <incdepgraph>
-      <node id="27">
-        <label>boost/algorithm/string.hpp</label>
-      </node>
-      <node id="12">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="4" relation="include">
+      <node id="11">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="12" relation="include">
         </childnode>
         <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="14" relation="include">
         </childnode>
-      </node>
-      <node id="8">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="11">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="22">
-        <label>cassert</label>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
       </node>
       <node id="19">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
         <childnode refid="20" relation="include">
         </childnode>
         <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
         <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="31" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+      </node>
+      <node id="17">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
         </childnode>
-      </node>
-      <node id="15">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="13">
-        <label>unordered_set</label>
       </node>
       <node id="2">
         <label>libmolgrid/exampleref_providers.h</label>
@@ -68,101 +64,145 @@
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
-      <node id="10">
-        <label>random</label>
-      </node>
-      <node id="4">
-        <label>vector</label>
+      <node id="27">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
       </node>
-      <node id="18">
-        <label>utility</label>
+      <node id="9">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
       </node>
-      <node id="23">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="17" relation="include">
+      <node id="22">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
         </childnode>
         <childnode refid="24" relation="include">
         </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
         <childnode refid="25" relation="include">
         </childnode>
         <childnode refid="26" relation="include">
         </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
+      </node>
+      <node id="31">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>exampleref_providers.cpp</label>
         <link refid="exampleref__providers_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>iostream</label>
+      <node id="5">
+        <label>algorithm</label>
       </node>
-      <node id="7">
-        <label>unordered_map</label>
+      <node id="32">
+        <label>boost/algorithm/string.hpp</label>
+      </node>
+      <node id="8">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="28">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="29">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="21">
+        <label>boost/serialization/access.hpp</label>
       </node>
       <node id="26">
-        <label>cuda.h</label>
+        <label>boost/serialization/array.hpp</label>
       </node>
       <node id="25">
-        <label>cuda_runtime_api.h</label>
+        <label>boost/serialization/split_member.hpp</label>
       </node>
-      <node id="21">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="30">
+        <label>cassert</label>
+      </node>
+      <node id="23">
+        <label>cstdlib</label>
+      </node>
+      <node id="13">
+        <label>cstring</label>
+      </node>
+      <node id="3">
+        <label>iostream</label>
       </node>
       <node id="16">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="18" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="19" relation="include">
-        </childnode>
+        <label>libmolgrid/config.h</label>
       </node>
-      <node id="6">
-        <label>type_traits</label>
+      <node id="12">
+        <label>memory</label>
       </node>
       <node id="20">
-        <label>boost/multi_array.hpp</label>
+        <label>openbabel/mol.h</label>
       </node>
-      <node id="9">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
+      <node id="10">
+        <label>random</label>
       </node>
-      <node id="5">
-        <label>algorithm</label>
+      <node id="14">
+        <label>stdexcept</label>
       </node>
-      <node id="24">
-        <label>cstring</label>
+      <node id="15">
+        <label>string</label>
       </node>
-      <node id="14">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="16" relation="include">
-        </childnode>
+      <node id="6">
+        <label>type_traits</label>
       </node>
-      <node id="17">
-        <label>memory</label>
+      <node id="7">
+        <label>unordered_map</label>
+      </node>
+      <node id="18">
+        <label>unordered_set</label>
+      </node>
+      <node id="24">
+        <label>utility</label>
+      </node>
+      <node id="4">
+        <label>vector</label>
       </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -204,13 +244,13 @@
 <codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
 <codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>tmp;</highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>examples[i].next_active(tmp);</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Dropping<sp/>receptor<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>tmp.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0]<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>with<sp/>no<sp/>decoys.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Dropping<sp/>receptor<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>tmp.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0]<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>with<sp/>no<sp/>decoys.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(examples[i].num_decoys()<sp/>&gt;<sp/>0)</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
 <codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>tmp;</highlight></codeline>
 <codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>examples[i].next_decoy(tmp);</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Dropping<sp/>receptor<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>tmp.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0]<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>with<sp/>no<sp/>actives.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Dropping<sp/>receptor<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>tmp.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[0]<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>with<sp/>no<sp/>actives.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="42"><highlight class="normal"></highlight></codeline>
@@ -227,12 +267,12 @@
 <codeline lineno="53"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
 <codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/>trim(line);</highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(line.length()<sp/>&gt;<sp/>0)<sp/>{<sp/></highlight><highlight class="comment">//ignore<sp/>blank<sp/>lines</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref(line,<sp/>numlabels,<sp/>has_group());</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>addref(ref);</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref><sp/>ref(line,<sp/>numlabels,<sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" kindref="member">has_group</ref>());</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" kindref="member">addref</ref>(ref);</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="60"><highlight class="normal"></highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>size();</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f" kindref="member">size</ref>();</highlight></codeline>
 <codeline lineno="62"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"></highlight></codeline>
 <codeline lineno="64" refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" kindref="member">UniformExampleRefProvider::addref</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)</highlight></codeline>
@@ -264,16 +304,16 @@
 <codeline lineno="90"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="91"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(current<sp/>&gt;=<sp/>all.size())</highlight></codeline>
 <codeline lineno="92"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/>setup();<sp/></highlight><highlight class="comment">//reset<sp/>current<sp/>and<sp/>shuffle<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">setup</ref>();<sp/></highlight><highlight class="comment">//reset<sp/>current<sp/>and<sp/>shuffle<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/>epoch++;</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/>cnt++;</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref>++;</highlight></codeline>
 <codeline lineno="97"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="98"><highlight class="normal"></highlight></codeline>
 <codeline lineno="99" refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8100f1f3e6e934f1400566e80d971f8d" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8100f1f3e6e934f1400566e80d971f8d" kindref="member">UniformExampleRefProvider::operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>idx)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
 <codeline lineno="100"><highlight class="keyword"></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(idx<sp/>&gt;=<sp/>all.size())<sp/>{</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>index:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(idx)+</highlight><highlight class="stringliteral">&quot;<sp/>&gt;<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(all.size()));</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>index:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(idx)+</highlight><highlight class="stringliteral">&quot;<sp/>&gt;<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(all.size()));</highlight></codeline>
 <codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>all[idx];</highlight></codeline>
 <codeline lineno="105"><highlight class="normal">}</highlight></codeline>
@@ -286,7 +326,7 @@
 <codeline lineno="112"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/>decoys.addref(ex);</highlight></codeline>
 <codeline lineno="114"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Example<sp/>has<sp/>no<sp/>label<sp/>at<sp/>position<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>but<sp/>a<sp/>label<sp/>is<sp/>required<sp/>to<sp/>balance<sp/>batches.<sp/><sp/>There<sp/>are<sp/>only<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(ex.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size())+</highlight><highlight class="stringliteral">&quot;<sp/>labels&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Example<sp/>has<sp/>no<sp/>label<sp/>at<sp/>position<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(labelpos)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>but<sp/>a<sp/>label<sp/>is<sp/>required<sp/>to<sp/>balance<sp/>batches.<sp/><sp/>There<sp/>are<sp/>only<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(ex.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size())+</highlight><highlight class="stringliteral">&quot;<sp/>labels&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="116"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="117"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="118"><highlight class="normal"></highlight></codeline>
@@ -307,12 +347,12 @@
 <codeline lineno="133"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="134"><highlight class="normal"></highlight></codeline>
 <codeline lineno="135"><highlight class="normal"><sp/><sp/>current++;</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/>cnt++;</highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref>++;</highlight></codeline>
 <codeline lineno="137"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="138"><highlight class="normal"></highlight></codeline>
 <codeline lineno="139"><highlight class="normal"></highlight></codeline>
 <codeline lineno="140"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/exampleref__providers_8h.xml b/docs/cpp/xml/exampleref__providers_8h.xml
index 3feddc85..92bc5ab0 100644
--- a/docs/cpp/xml/exampleref__providers_8h.xml
+++ b/docs/cpp/xml/exampleref__providers_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="exampleref__providers_8h" kind="file" language="C++">
     <compoundname>exampleref_providers.h</compoundname>
     <includes local="no">iostream</includes>
@@ -15,48 +15,47 @@
     <includedby refid="example__provider_8h" local="yes">example_provider.h</includedby>
     <includedby refid="exampleref__providers_8cpp" local="yes">exampleref_providers.cpp</includedby>
     <incdepgraph>
-      <node id="11">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="3" relation="include">
+      <node id="10">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="11" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
         <childnode refid="13" relation="include">
         </childnode>
-      </node>
-      <node id="7">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="10">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="21">
-        <label>cassert</label>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
       </node>
       <node id="18">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
         <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
         <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+      </node>
+      <node id="16">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
         </childnode>
-      </node>
-      <node id="14">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="12">
-        <label>unordered_set</label>
       </node>
       <node id="1">
         <label>exampleref_providers.h</label>
@@ -75,62 +74,30 @@
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>random</label>
-      </node>
-      <node id="3">
-        <label>vector</label>
-      </node>
-      <node id="17">
-        <label>utility</label>
-      </node>
-      <node id="22">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="16" relation="include">
+      <node id="26">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-      </node>
-      <node id="2">
-        <label>iostream</label>
-      </node>
-      <node id="6">
-        <label>unordered_map</label>
-      </node>
-      <node id="25">
-        <label>cuda.h</label>
-      </node>
-      <node id="24">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="20">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="15">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="16" relation="include">
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>type_traits</label>
-      </node>
-      <node id="19">
-        <label>boost/multi_array.hpp</label>
       </node>
       <node id="8">
         <label>libmolgrid/libmolgrid.h</label>
@@ -144,27 +111,106 @@
         <childnode refid="10" relation="include">
         </childnode>
       </node>
+      <node id="21">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+      </node>
+      <node id="30">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+      </node>
       <node id="4">
         <label>algorithm</label>
       </node>
-      <node id="23">
+      <node id="7">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="27">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="28">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="25">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="24">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="29">
+        <label>cassert</label>
+      </node>
+      <node id="22">
+        <label>cstdlib</label>
+      </node>
+      <node id="12">
         <label>cstring</label>
       </node>
-      <node id="13">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="14" relation="include">
-        </childnode>
-        <childnode refid="15" relation="include">
-        </childnode>
+      <node id="2">
+        <label>iostream</label>
       </node>
-      <node id="16">
+      <node id="15">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="11">
         <label>memory</label>
       </node>
+      <node id="19">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="9">
+        <label>random</label>
+      </node>
+      <node id="13">
+        <label>stdexcept</label>
+      </node>
+      <node id="14">
+        <label>string</label>
+      </node>
+      <node id="5">
+        <label>type_traits</label>
+      </node>
+      <node id="6">
+        <label>unordered_map</label>
+      </node>
+      <node id="17">
+        <label>unordered_set</label>
+      </node>
+      <node id="23">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
+      <node id="2">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+      </node>
       <node id="4">
         <label>example_extractor.h</label>
         <link refid="example__extractor_8h"/>
@@ -172,12 +218,14 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
+      <node id="6">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="7" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>exampleref_providers.h</label>
@@ -186,34 +234,26 @@
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
+      <node id="3">
+        <label>example_dataset.cpp</label>
+        <link refid="example__dataset_8cpp"/>
       </node>
       <node id="5">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="6" relation="include">
-        </childnode>
-      </node>
-      <node id="8">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
       </node>
-      <node id="6">
+      <node id="7">
         <label>example_provider.cpp</label>
         <link refid="example__provider_8cpp"/>
       </node>
-      <node id="3">
-        <label>example_dataset.cpp</label>
-        <link refid="example__dataset_8cpp"/>
+      <node id="8">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
       </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1ExampleRefProvider" prot="public">libmolgrid::ExampleRefProvider</innerclass>
@@ -229,8 +269,9 @@
     <detaileddescription>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="8"><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_PROVIDERS_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>EXAMPLE_PROVIDERS_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXAMPLE_PROVIDERS_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iostream&gt;</highlight><highlight class="normal"></highlight></codeline>
@@ -244,37 +285,37 @@
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23" refid="classlibmolgrid_1_1ExampleRefProvider" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref><sp/>{</highlight></codeline>
+<codeline lineno="23" refid="classlibmolgrid_1_1ExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref><sp/>{</highlight></codeline>
 <codeline lineno="24"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="25" refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref><sp/>=<sp/>1;<sp/></highlight><highlight class="comment">//<sp/>for<sp/>epoch<sp/>calculations,<sp/>want<sp/>epoch<sp/>of<sp/>_next_<sp/>example</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="26"><highlight class="normal"></highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="28" refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="29" refid="classlibmolgrid_1_1ExampleRefProvider_1ae32c6ad6aeaeba0d2d2ab74a48a553b5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1ae32c6ad6aeaeba0d2d2ab74a48a553b5" kindref="member">ExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings)<sp/>{}</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" kindref="member">addref</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c" kindref="member">setup</ref>()<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//essentially<sp/>shuffle<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423" kindref="member">nextref</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f" kindref="member">size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="30" refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a134b2325787965e2ef6260960f06adfc" kindref="member">addref</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a39fe489f6eb526d59b6b804a8343fe8c" kindref="member">setup</ref>()<sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//essentially<sp/>shuffle<sp/>if<sp/>necessary</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="32" refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a7a953020850169224c78ac9bfda9e423" kindref="member">nextref</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="33" refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a962e2830e9c2869a2ee70cd5331f815f" kindref="member">size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="34" refid="classlibmolgrid_1_1ExampleRefProvider_1a6dab7933abd006833437122f78468007" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a6dab7933abd006833437122f78468007" kindref="member">~ExampleRefProvider</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="35"><highlight class="normal"></highlight></codeline>
 <codeline lineno="36" refid="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1aee411e008a9cb6d21a7f465c608b7028" kindref="member">has_group</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/>}<sp/></highlight></codeline>
 <codeline lineno="37" refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" kindref="member">check_batch_size</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>bsize)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{}<sp/></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b" kindref="member">num_labels</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;<sp/><sp/></highlight></codeline>
+<codeline lineno="39" refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a4af792d6af8f9f676a2dc30f2262158b" kindref="member">num_labels</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;<sp/><sp/></highlight></codeline>
 <codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a9c9f40c52d51bd365750f062aff89a95" kindref="member">populate</ref>(std::istream&amp;<sp/>lines,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>numlabels);</highlight></codeline>
 <codeline lineno="42"><highlight class="normal"></highlight></codeline>
 <codeline lineno="44" refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a5edd8a3461f4aa311675b712ae2e1d20" kindref="member">get_small_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref>/<ref refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc" kindref="member">small_epoch_size</ref>();<sp/>}</highlight></codeline>
 <codeline lineno="45"><highlight class="normal"></highlight></codeline>
 <codeline lineno="47" refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1ac881e6a758225142e37f3811184b156c" kindref="member">get_large_epoch_num</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref>/<ref refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca" kindref="member">large_epoch_size</ref>();<sp/>}</highlight></codeline>
 <codeline lineno="48"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc" kindref="member">small_epoch_size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="50" refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1ac7d5c78d78fc4ae893f25e5dfdf261cc" kindref="member">small_epoch_size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca" kindref="member">large_epoch_size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="53" refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a8a7602870f7be094fa3955de5fba5aca" kindref="member">large_epoch_size</ref>()<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="54"><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1" kindref="member">reset</ref>()<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="56" refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a20dcbdfbd0ec77afc802522bb7e379c1" kindref="member">reset</ref>()<sp/>=<sp/>0;</highlight></codeline>
 <codeline lineno="57"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"></highlight></codeline>
 <codeline lineno="59"><highlight class="normal"></highlight></codeline>
-<codeline lineno="61" refid="classlibmolgrid_1_1UniformExampleRefProvider" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref></highlight></codeline>
+<codeline lineno="61" refid="classlibmolgrid_1_1UniformExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6" kindref="member">UniformExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref></highlight></codeline>
 <codeline lineno="62"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"><sp/><sp/>std::vector&lt;ExampleRef&gt;<sp/>all;</highlight></codeline>
 <codeline lineno="64"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>current<sp/>=<sp/>0;</highlight></codeline>
@@ -287,7 +328,7 @@
 <codeline lineno="71"><highlight class="normal"></highlight></codeline>
 <codeline lineno="72"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="73" refid="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a659da4b8d412bb412c8cf3a17bf1a8a6" kindref="member">UniformExampleRefProvider</ref>()<sp/>{}</highlight></codeline>
-<codeline lineno="74" refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" kindref="member">UniformExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings):<sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(settings),</highlight></codeline>
+<codeline lineno="74" refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a9005e0db83b8ea9c7fd04206bb3a7f9a" kindref="member">UniformExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings):<sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(settings),</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>current(0),<sp/>current_copy(0),<sp/>randomize(settings.shuffle),<sp/>ncopies(settings.num_copies)<sp/>{</highlight></codeline>
 <codeline lineno="76"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="77"><highlight class="normal"></highlight></codeline>
@@ -309,7 +350,7 @@
 <codeline lineno="94"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"></highlight></codeline>
 <codeline lineno="96"><highlight class="normal"></highlight></codeline>
-<codeline lineno="98" refid="classlibmolgrid_1_1BalancedExampleRefProvider" refkind="compound"><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider" kindref="compound">BalancedExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref></highlight></codeline>
+<codeline lineno="98" refid="classlibmolgrid_1_1BalancedExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb" kindref="member">BalancedExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref></highlight></codeline>
 <codeline lineno="99"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="100"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref><sp/>actives;</highlight></codeline>
 <codeline lineno="101"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1UniformExampleRefProvider" kindref="compound">UniformExampleRefProvider</ref><sp/>decoys;</highlight></codeline>
@@ -319,31 +360,31 @@
 <codeline lineno="105"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="106" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3404d7dfaebdfca4e2762c78acd81ecb" kindref="member">BalancedExampleRefProvider</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="107" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1abf08cb5085ecca8f2f7d6bca860e8d08" kindref="member">BalancedExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings):</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(settings),<sp/>actives(settings),<sp/>decoys(settings),</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(settings),<sp/>actives(settings),<sp/>decoys(settings),</highlight></codeline>
 <codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/>current(0),<sp/>labelpos(settings.labelpos)<sp/>{</highlight></codeline>
 <codeline lineno="110"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="111"><highlight class="normal"></highlight></codeline>
 <codeline lineno="112"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" kindref="member">addref</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex);</highlight></codeline>
 <codeline lineno="113"><highlight class="normal"></highlight></codeline>
-<codeline lineno="115" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="115" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ad61784c785dd62f4d4e1d1fec3cf2f6e" kindref="member">num_labels</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.num_labels();<sp/>}</highlight></codeline>
 <codeline lineno="116"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">setup</ref>();</highlight></codeline>
 <codeline lineno="117"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ae630292b50e44deb19e001f322914934" kindref="member">nextref</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex);</highlight></codeline>
-<codeline lineno="118" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()+decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="119" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" kindref="member">num_actives</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="120" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" kindref="member">num_decoys</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="118" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.size()+decoys.size();<sp/>}</highlight></codeline>
+<codeline lineno="119" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a3ed1c22bbf408a692ff4c997769639f6" kindref="member">num_actives</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>actives.size();<sp/>}</highlight></codeline>
+<codeline lineno="120" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a12e19cfe7fd4a4d5b9d5d7d01840cfd7" kindref="member">num_decoys</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>decoys.size();<sp/>}</highlight></codeline>
 <codeline lineno="121"><highlight class="normal"></highlight></codeline>
-<codeline lineno="122" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" kindref="member">next_active</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>{<sp/><sp/>actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" kindref="member">nextref</ref>(ex);<sp/>}</highlight></codeline>
-<codeline lineno="123" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" kindref="member">next_decoy</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>{<sp/>decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1ae630292b50e44deb19e001f322914934" kindref="member">nextref</ref>(ex);<sp/>}</highlight></codeline>
+<codeline lineno="122" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aba8517b4134d5ddaa29f9b5b3c7654f3" kindref="member">next_active</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>{<sp/><sp/>actives.nextref(ex);<sp/>}</highlight></codeline>
+<codeline lineno="123" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1aaec2eeecfd8138a25cc093a24afb75f4" kindref="member">next_decoy</ref>(<ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)<sp/>{<sp/>decoys.nextref(ex);<sp/>}</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"></highlight></codeline>
-<codeline lineno="125" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" kindref="member">small_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>2*std::min(actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>());<sp/>}</highlight></codeline>
-<codeline lineno="126" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" kindref="member">large_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>2*std::max(actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>(),decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>());<sp/>}</highlight></codeline>
+<codeline lineno="125" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a9c66646cb491b4c4620dcfe627f5451d" kindref="member">small_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>2*std::min(actives.size(),decoys.size());<sp/>}</highlight></codeline>
+<codeline lineno="126" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" kindref="member">large_epoch_size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>2*std::max(actives.size(),decoys.size());<sp/>}</highlight></codeline>
 <codeline lineno="127"><highlight class="normal"></highlight></codeline>
-<codeline lineno="128" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>()<sp/>{<sp/>actives.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>();<sp/>decoys.<ref refid="classlibmolgrid_1_1UniformExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>();<sp/>current<sp/>=<sp/>0;<sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref><sp/>=<sp/>0;<sp/>}</highlight></codeline>
+<codeline lineno="128" refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a7b0e029102ad38f4b814c6523aedb53d" kindref="member">reset</ref>()<sp/>{<sp/>actives.reset();<sp/>decoys.reset();<sp/>current<sp/>=<sp/>0;<sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1adc9bb9be55d353ea973698ff2e50e213" kindref="member">cnt</ref><sp/>=<sp/>0;<sp/>}</highlight></codeline>
 <codeline lineno="129"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="130"><highlight class="normal"></highlight></codeline>
 <codeline lineno="131"><highlight class="normal"></highlight></codeline>
-<codeline lineno="133"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er1,<sp/></highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er2&gt;</highlight></codeline>
-<codeline lineno="134" refid="classlibmolgrid_1_1SamplingExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SamplingExampleRefProvider" kindref="compound">SamplingExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref></highlight></codeline>
+<codeline lineno="133"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er1,<sp/></highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er2&gt;</highlight></codeline>
+<codeline lineno="134" refid="classlibmolgrid_1_1SamplingExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775" kindref="member">SamplingExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref></highlight></codeline>
 <codeline lineno="135"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="136"><highlight class="normal"><sp/><sp/>Provider1<sp/>p1;</highlight></codeline>
 <codeline lineno="137"><highlight class="normal"><sp/><sp/>Provider2<sp/>p2;</highlight></codeline>
@@ -353,7 +394,7 @@
 <codeline lineno="141"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="142" refid="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1SamplingExampleRefProvider_1af1c7606e9224207259160331d6873775" kindref="member">SamplingExampleRefProvider</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="143" refid="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1SamplingExampleRefProvider_1adb841b0ff27a95b871944779c5201234" kindref="member">SamplingExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings,<sp/>Provider1<sp/>P1,<sp/>Provider2<sp/>P2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>srate):</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(settings),<sp/>p1(P1),<sp/>p2(P2),<sp/>sample_rate(srate)<sp/>{</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(settings),<sp/>p1(P1),<sp/>p2(P2),<sp/>sample_rate(srate)<sp/>{</highlight></codeline>
 <codeline lineno="145"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="146"><highlight class="normal"></highlight></codeline>
 <codeline lineno="147" refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1SamplingExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" kindref="member">addref</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleRef" kindref="compound">ExampleRef</ref>&amp;<sp/>ex)</highlight></codeline>
@@ -398,8 +439,8 @@
 <codeline lineno="187"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="188"><highlight class="normal"></highlight></codeline>
 <codeline lineno="189"><highlight class="normal"></highlight></codeline>
-<codeline lineno="193"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>K=1&gt;</highlight></codeline>
-<codeline lineno="194" refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" kindref="compound">ReceptorStratifiedExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref></highlight></codeline>
+<codeline lineno="193"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>K=1&gt;</highlight></codeline>
+<codeline lineno="194" refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1" kindref="member">ReceptorStratifiedExampleRefProvider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref></highlight></codeline>
 <codeline lineno="195"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="196"><highlight class="normal"><sp/><sp/>std::vector&lt;Provider&gt;<sp/>examples;</highlight></codeline>
 <codeline lineno="197"><highlight class="normal"><sp/><sp/>std::unordered_map&lt;const<sp/>char*,<sp/>unsigned&gt;<sp/>recmap;<sp/></highlight><highlight class="comment">//map<sp/>to<sp/>receptor<sp/>indices</highlight><highlight class="normal"></highlight></codeline>
@@ -412,7 +453,7 @@
 <codeline lineno="204"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="205" refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae875a460534563fb41848f9f323effb1" kindref="member">ReceptorStratifiedExampleRefProvider</ref>():<sp/>currenti(0),<sp/>currentk(0),<sp/>randomize(false)<sp/>{}</highlight></codeline>
 <codeline lineno="206" refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae20e38545b2792e3ba3c2d1d0c175b3b" kindref="member">ReceptorStratifiedExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>settings):</highlight></codeline>
-<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(settings),<sp/>param(settings),<sp/>currenti(0),<sp/>currentk(0),<sp/>randomize(settings.shuffle)</highlight></codeline>
+<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(settings),<sp/>param(settings),<sp/>currenti(0),<sp/>currentk(0),<sp/>randomize(settings.shuffle)</highlight></codeline>
 <codeline lineno="208"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
 <codeline lineno="209"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="210"><highlight class="normal"></highlight></codeline>
@@ -517,11 +558,11 @@
 <codeline lineno="309"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="310"><highlight class="normal"></highlight></codeline>
 <codeline lineno="311"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;&gt;</highlight></codeline>
-<codeline lineno="312"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">ReceptorStratifiedExampleRefProvider&lt;BalancedExampleRefProvider, 2&gt;::setup</ref>();</highlight></codeline>
+<codeline lineno="312" refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">ReceptorStratifiedExampleRefProvider&lt;BalancedExampleRefProvider, 2&gt;::setup</ref>();</highlight></codeline>
 <codeline lineno="313"><highlight class="normal"></highlight></codeline>
 <codeline lineno="314"><highlight class="normal"></highlight></codeline>
-<codeline lineno="318"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er&gt;</highlight></codeline>
-<codeline lineno="319" refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" kindref="compound">ValueStratifiedExampleRefProfider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref></highlight></codeline>
+<codeline lineno="318"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er&gt;</highlight></codeline>
+<codeline lineno="319" refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da" kindref="member">ValueStratifiedExampleRefProfider</ref>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref></highlight></codeline>
 <codeline lineno="320"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="321"><highlight class="normal"><sp/><sp/>std::vector&lt;Provider&gt;<sp/>examples;</highlight></codeline>
 <codeline lineno="322"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>currenti<sp/>=<sp/>0;</highlight><highlight class="comment">//position<sp/>in<sp/>array</highlight><highlight class="normal"></highlight></codeline>
@@ -543,7 +584,7 @@
 <codeline lineno="338"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="339" refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1ad074c52ca9025bfe5cd13fb4403759da" kindref="member">ValueStratifiedExampleRefProfider</ref>()<sp/>{}</highlight></codeline>
 <codeline lineno="340" refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a7283e7554f9b6a2b1269ba97c75d6558" kindref="member">ValueStratifiedExampleRefProfider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>parm):</highlight></codeline>
-<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(parm),<sp/>currenti(0)</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(parm),<sp/>currenti(0)</highlight></codeline>
 <codeline lineno="342"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
 <codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/>max<sp/>=<sp/>parm.stratify_max;</highlight></codeline>
 <codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/>min<sp/>=<sp/>parm.stratify_min;</highlight></codeline>
@@ -590,7 +631,7 @@
 <codeline lineno="385"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.back().setup();</highlight></codeline>
 <codeline lineno="386"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="387"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="388"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Empty<sp/>bucket<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>i<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>when<sp/>stratifying<sp/>by<sp/>value<sp/>-<sp/>check<sp/>your<sp/>ranges<sp/>and<sp/>data<sp/>distribution.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="388"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Empty<sp/>bucket<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>i<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>when<sp/>stratifying<sp/>by<sp/>value<sp/>-<sp/>check<sp/>your<sp/>ranges<sp/>and<sp/>data<sp/>distribution.\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="389"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="390"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="391"><highlight class="normal"><sp/><sp/><sp/><sp/>swap(examples,tmp);</highlight></codeline>
@@ -646,8 +687,8 @@
 <codeline lineno="441"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="442"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="443"><highlight class="normal"></highlight></codeline>
-<codeline lineno="455"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er&gt;</highlight></codeline>
-<codeline lineno="456" refid="classlibmolgrid_1_1GroupedExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider" kindref="compound">GroupedExampleRefProvider</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref><sp/>{</highlight></codeline>
+<codeline lineno="455"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Prov</highlight><highlight class="keywordtype">id</highlight><highlight class="normal">er&gt;</highlight></codeline>
+<codeline lineno="456" refid="classlibmolgrid_1_1GroupedExampleRefProvider" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c" kindref="member">GroupedExampleRefProvider</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref><sp/>{</highlight></codeline>
 <codeline lineno="457"><highlight class="normal"></highlight></codeline>
 <codeline lineno="458"><highlight class="normal"><sp/><sp/>Provider<sp/>examples;</highlight></codeline>
 <codeline lineno="459"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>batch_size<sp/>=<sp/>1;</highlight></codeline>
@@ -662,7 +703,7 @@
 <codeline lineno="468"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="469" refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a56cd3297ec696baae4730a2a2ee5cd8c" kindref="member">GroupedExampleRefProvider</ref>()<sp/>{<sp/><sp/><sp/><sp/><sp/>current_groups.assign(batch_size,maxgroupsize);<sp/>}</highlight></codeline>
 <codeline lineno="470" refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a6a108224510b1ac78f1e9ddbcee1c94b" kindref="member">GroupedExampleRefProvider</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1ExampleProviderSettings" kindref="compound">ExampleProviderSettings</ref>&amp;<sp/>parm):</highlight></codeline>
-<codeline lineno="471"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider" kindref="compound">ExampleRefProvider</ref>(parm),<sp/>examples(parm),</highlight></codeline>
+<codeline lineno="471"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ExampleRefProvider_1a120fc1bfc416a2c04b887d6ce870ffa9" kindref="member">ExampleRefProvider</ref>(parm),<sp/>examples(parm),</highlight></codeline>
 <codeline lineno="472"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>batch_size(parm.group_batch_size),</highlight></codeline>
 <codeline lineno="473"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>maxgroupsize(parm.max_group_size)<sp/>{</highlight></codeline>
 <codeline lineno="474"><highlight class="normal"><sp/><sp/><sp/><sp/>current_groups.assign(batch_size,maxgroupsize);</highlight></codeline>
@@ -677,7 +718,7 @@
 <codeline lineno="483"><highlight class="normal"></highlight></codeline>
 <codeline lineno="484"><highlight class="normal"><sp/><sp/><sp/><sp/>frame_groups[group].push_back(ex);</highlight></codeline>
 <codeline lineno="485"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(frame_groups[group].<ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()<sp/>&gt;<sp/>maxgroupsize)</highlight></codeline>
-<codeline lineno="486"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a984de77c680eaff141ec910e25568a81" kindref="member">WARNING</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Frame<sp/>group<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>group<sp/>&lt;&lt;</highlight><highlight class="stringliteral">&quot;<sp/>has<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>frame_groups[group].size()<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>frames,<sp/>which<sp/>is<sp/>more<sp/>than<sp/>max<sp/>group<sp/>size<sp/>&quot;</highlight><highlight class="normal">&lt;&lt;maxgroupsize<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="486"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a984de77c680eaff141ec910e25568a81" kindref="member">WARNING</ref>)<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;Frame<sp/>group<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>group<sp/>&lt;&lt;</highlight><highlight class="stringliteral">&quot;<sp/>has<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>frame_groups[group].size()<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>frames,<sp/>which<sp/>is<sp/>more<sp/>than<sp/>max<sp/>group<sp/>size<sp/>&quot;</highlight><highlight class="normal">&lt;&lt;maxgroupsize<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="487"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="488"><highlight class="normal"></highlight></codeline>
 <codeline lineno="489" refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" kindref="member">setup</ref>()<sp/>{</highlight></codeline>
@@ -692,7 +733,7 @@
 <codeline lineno="498"><highlight class="normal"></highlight></codeline>
 <codeline lineno="499" refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a0f9ab6a4312a9937752f660a907b928a" kindref="member">check_batch_size</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>bsize)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="500"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(bsize<sp/>!=<sp/>batch_size)<sp/>{</highlight></codeline>
-<codeline lineno="501"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Requested<sp/>batch<sp/>size<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(bsize)+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>match<sp/>configured<sp/>group<sp/>batch<sp/>size<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(batch_size));</highlight></codeline>
+<codeline lineno="501"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Requested<sp/>batch<sp/>size<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(bsize)+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>does<sp/>not<sp/>match<sp/>configured<sp/>group<sp/>batch<sp/>size<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(batch_size));</highlight></codeline>
 <codeline lineno="502"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="503"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="504"><highlight class="normal"></highlight></codeline>
@@ -719,7 +760,7 @@
 <codeline lineno="525"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
 <codeline lineno="526"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ex<sp/>=<sp/>timeseries.back();</highlight></codeline>
 <codeline lineno="527"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>ex.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)</highlight></codeline>
-<codeline lineno="528"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i]<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.<ref refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" kindref="member">get</ref>(</highlight><highlight class="stringliteral">&quot;none&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="528"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" kindref="member">files</ref>[i]<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>.get(</highlight><highlight class="stringliteral">&quot;none&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="529"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>ex.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)</highlight></codeline>
 <codeline lineno="530"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ex.<ref refid="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" kindref="member">labels</ref>[i]<sp/>=<sp/>NAN;</highlight></codeline>
 <codeline lineno="531"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
@@ -759,6 +800,6 @@
 <codeline lineno="565"><highlight class="normal"></highlight></codeline>
 <codeline lineno="566"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>EXAMPLE_PROVIDERS_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/exampleref_providers.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/exampleref_providers.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid_8h.xml b/docs/cpp/xml/grid_8h.xml
index 75992cf0..7bc53ce0 100644
--- a/docs/cpp/xml/grid_8h.xml
+++ b/docs/cpp/xml/grid_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid_8h" kind="file" language="C++">
     <compoundname>grid.h</compoundname>
     <includes local="no">boost/multi_array.hpp</includes>
@@ -7,23 +7,32 @@
     <includes local="no">boost/lexical_cast.hpp</includes>
     <includes local="no">cassert</includes>
     <includes local="no">iostream</includes>
+    <includes local="no">cstring</includes>
+    <includes local="no">stdexcept</includes>
     <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes refid="libmolgrid_8h" local="yes">libmolgrid/libmolgrid.h</includes>
     <includedby refid="cartesian__grid_8h" local="yes">cartesian_grid.h</includedby>
     <includedby refid="grid__interpolater_8h" local="yes">grid_interpolater.h</includedby>
     <includedby refid="grid__maker_8h" local="yes">grid_maker.h</includedby>
+    <includedby refid="libmolgrid_8cpp" local="yes">libmolgrid.cpp</includedby>
     <includedby refid="managed__grid_8h" local="yes">managed_grid.h</includedby>
     <includedby refid="transform_8h" local="yes">transform.h</includedby>
-    <includedby refid="libmolgrid_8cpp" local="yes">libmolgrid.cpp</includedby>
     <incdepgraph>
-      <node id="4">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="14">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="5">
-        <label>cassert</label>
+      <node id="9">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>grid.h</label>
@@ -40,169 +49,176 @@
         </childnode>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-      </node>
-      <node id="13">
-        <label>random</label>
-      </node>
-      <node id="7">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
         <childnode refid="8" relation="include">
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>iostream</label>
-      </node>
-      <node id="11">
-        <label>cuda.h</label>
-      </node>
-      <node id="10">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="3">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="2">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="12">
+      <node id="13">
         <label>libmolgrid/libmolgrid.h</label>
         <link refid="libmolgrid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
         <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="9">
+      <node id="4">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="2">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="3">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="5">
+        <label>cassert</label>
+      </node>
+      <node id="7">
         <label>cstring</label>
       </node>
-      <node id="8">
+      <node id="6">
+        <label>iostream</label>
+      </node>
+      <node id="12">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="10">
         <label>memory</label>
       </node>
+      <node id="14">
+        <label>random</label>
+      </node>
+      <node id="8">
+        <label>stdexcept</label>
+      </node>
+      <node id="11">
+        <label>string</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="13">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="14" relation="include">
+      <node id="2">
+        <label>cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="20">
-        <label>example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="12" relation="include">
-        </childnode>
+      <node id="13">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
         <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+      </node>
+      <node id="12">
+        <label>coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
+      </node>
+      <node id="22">
+        <label>example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
         <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-      </node>
-      <node id="3">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
-        <childnode refid="4" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-      </node>
-      <node id="6">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
-      </node>
-      <node id="7">
-        <label>cartesian_grid.cpp</label>
-        <link refid="cartesian__grid_8cpp"/>
-      </node>
-      <node id="18">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="1">
-        <label>grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="2" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+      </node>
+      <node id="16">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
-      <node id="5">
-        <label>grid_io.h</label>
-        <link refid="grid__io_8h"/>
-        <childnode refid="6" relation="include">
+      <node id="15">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
+      <node id="19">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="20" relation="include">
+        </childnode>
       </node>
-      <node id="21">
+      <node id="24">
         <label>exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
-        <childnode refid="14" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="3" relation="include">
+      <node id="1">
+        <label>grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-      </node>
-      <node id="12">
-        <label>coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
         </childnode>
       </node>
-      <node id="14">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="15" relation="include">
+      <node id="4">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="5" relation="include">
+        </childnode>
+      </node>
+      <node id="6">
+        <label>grid_io.h</label>
+        <link refid="grid__io_8h"/>
+        <childnode refid="7" relation="include">
         </childnode>
       </node>
       <node id="8">
@@ -211,92 +227,85 @@
         <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="24">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="16">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="17" relation="include">
+      <node id="11">
+        <label>managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
         </childnode>
       </node>
-      <node id="25">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="22">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
-      </node>
-      <node id="4">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
-      <node id="23">
+      <node id="26">
         <label>transform.h</label>
         <link refid="transform_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="17">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="10">
-        <label>managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
+      <node id="3">
+        <label>cartesian_grid.cpp</label>
+        <link refid="cartesian__grid_8cpp"/>
       </node>
-      <node id="19">
+      <node id="14">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="27">
+      <node id="21">
         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
       </node>
-      <node id="15">
+      <node id="23">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
+      <node id="17">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
-      <node id="26">
-        <label>example.cpp</label>
-        <link refid="example_8cpp"/>
+      <node id="18">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
       </node>
-      <node id="11">
-        <label>coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="27" relation="include">
-        </childnode>
+      <node id="20">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
+      <node id="25">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="5">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="7">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+      </node>
+      <node id="9">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="10">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
+      <node id="27">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
-    <innerclass refid="classlibmolgrid_1_1ManagedGrid" prot="public">libmolgrid::ManagedGrid</innerclass>
     <innerclass refid="classlibmolgrid_1_1Grid" prot="public">libmolgrid::Grid</innerclass>
     <innerclass refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" prot="public">libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="grid_8h_1aebe964ed887245ed1b6ae46d72674763" prot="public" static="no">
         <name>EXPAND_GRID_DEFINITIONS</name>
         <param><defname>Z</defname></param>
@@ -312,300 +321,348 @@ typedef Grid&lt;double, SIZE, true&gt; Grid##SIZE##dCUDA;</initializer>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="327" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="327" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="368" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" bodystart="368" bodyend="372"/>
+        <referencedby refid="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7">libmolgrid::BOOST_PP_REPEAT_FROM_TO</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
-<para>Wrapper classes for holding dense, multi-dimensional arrays of data. </para>
+<para>Wrapper classes for holding dense, multi-dimensional arrays of data. Ported from CUDA to Apple Silicon MPS (unified memory). </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="6"><highlight class="preprocessor">#ifndef<sp/>GRID_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>GRID_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="8"><highlight class="normal"></highlight></codeline>
-<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/multi_array.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/preprocessor/repetition.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/lexical_cast.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cassert&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iostream&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="libmolgrid_8h" kindref="compound">libmolgrid/libmolgrid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>GRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>GRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/multi_array.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/preprocessor/repetition.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/lexical_cast.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cassert&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iostream&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cstring&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;stdexcept&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="19"><highlight class="normal"></highlight></codeline>
-<codeline lineno="20" refid="classlibmolgrid_1_1ManagedGrid" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dt,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ND&gt;<sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>;<sp/></highlight><highlight class="comment">//predeclare</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="21"><highlight class="normal"></highlight></codeline>
-<codeline lineno="22" refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>cudaMemcpyKind<sp/><ref refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" kindref="member">copyKind</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA)<sp/>{</highlight></codeline>
-<codeline lineno="23"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(srcCUDA)<sp/>{</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(destCUDA)</highlight></codeline>
-<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyDeviceToDevice;</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyDeviceToHost;</highlight></codeline>
-<codeline lineno="28"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//source<sp/>host</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(destCUDA)</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyHostToDevice;</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyHostToHost;</highlight></codeline>
-<codeline lineno="33"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="34"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"></highlight></codeline>
-<codeline lineno="43"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA<sp/>=<sp/>false&gt;</highlight></codeline>
-<codeline lineno="44" refid="classlibmolgrid_1_1Grid" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref><sp/>{</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//these<sp/>should<sp/>be<sp/>read<sp/>only,<sp/>but<sp/>I<sp/>need<sp/>to<sp/>set<sp/>them<sp/>in<sp/>the<sp/>constructor</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//outside<sp/>an<sp/>initializer<sp/>list,<sp/>so<sp/>hide<sp/>them</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="48" refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/></highlight></codeline>
-<codeline lineno="49" refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[NumDims];</highlight></codeline>
-<codeline lineno="50" refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims];</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="53" refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>static_assert(NumDims<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(indices),</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>grid<sp/>indices&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="55"><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>idx[NumDims]<sp/>=<sp/>{<sp/></highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="keywordtype">size_t</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(indices)...};</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>pos<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{<sp/></highlight><highlight class="comment">//surely<sp/>the<sp/>compiler<sp/>will<sp/>unroll<sp/>this...</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>pos<sp/>+=<sp/>idx[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pos;</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"></highlight></codeline>
-<codeline lineno="65" refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dim)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="66"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>__CUDA_ARCH__</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;=<sp/>dim)<sp/>{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>range.<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(dim));</highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="libmolgrid_8h" kindref="compound">libmolgrid/libmolgrid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight></codeline>
+<codeline lineno="21"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="22"><highlight class="normal"></highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dt,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ND&gt;<sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>;<sp/></highlight><highlight class="comment">//predeclare</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight></codeline>
+<codeline lineno="25"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>cudaMemcpyKind<sp/>copyKind(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(srcCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(destCUDA)</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyDeviceToDevice;</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyDeviceToHost;</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(destCUDA)</highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyHostToDevice;</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>cudaMemcpyHostToHost;</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="38"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="40"><highlight class="normal"></highlight></codeline>
+<codeline lineno="47"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA<sp/>=<sp/>false&gt;</highlight></codeline>
+<codeline lineno="48" refid="classlibmolgrid_1_1Grid" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref><sp/>{</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="50" refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/></highlight></codeline>
+<codeline lineno="51" refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[NumDims];</highlight></codeline>
+<codeline lineno="52" refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims];</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"></highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="55" refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static_assert</highlight><highlight class="normal">(NumDims<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(indices),</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>grid<sp/>indices&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>idx[NumDims]<sp/>=<sp/>{<sp/></highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="keywordtype">size_t</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(indices)...};</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>pos<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>pos<sp/>+=<sp/>idx[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pos;</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight></codeline>
+<codeline lineno="67" refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dim)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA<sp/>&amp;&amp;<sp/>defined(__CUDA_ARCH__)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>assert(i<sp/>&lt;<sp/>dim);</highlight></codeline>
 <codeline lineno="70"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>assert(i<sp/>&lt;<sp/>dim);</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="76" refid="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
-<codeline lineno="77" refid="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">subgrid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt;Dtype,NumDims-1,isCUDA&gt;;</highlight></codeline>
-<codeline lineno="78" refid="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">managed_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,NumDims&gt;</ref>;</highlight></codeline>
-<codeline lineno="79" refid="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,NumDims,false&gt;</ref>;</highlight></codeline>
-<codeline lineno="80" refid="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,NumDims,true&gt;</ref>;</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"></highlight></codeline>
-<codeline lineno="82" refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>constexpr<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>NumDims;</highlight></codeline>
-<codeline lineno="83" refid="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>constexpr<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" kindref="member">GPU</ref><sp/>=<sp/>isCUDA;</highlight></codeline>
-<codeline lineno="84"><highlight class="normal"></highlight></codeline>
-<codeline lineno="86" refid="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="88" refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,NumDims);<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i];<sp/>}</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"></highlight></codeline>
-<codeline lineno="91" refid="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" kindref="member">offsets</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="93" refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];<sp/>}</highlight></codeline>
-<codeline lineno="94"><highlight class="normal"></highlight></codeline>
-<codeline lineno="96" refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>1;</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>*=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i];</highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"></highlight></codeline>
-<codeline lineno="105" refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"></highlight></codeline>
-<codeline lineno="108" refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(Dtype<sp/>*ptr)<sp/>{<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref><sp/>=<sp/>ptr;<sp/>}</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"></highlight></codeline>
-<codeline lineno="111" refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>():<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(nullptr),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{0},<sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>{0}<sp/>{</highlight></codeline>
-<codeline lineno="112"><highlight class="normal"></highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;=<sp/>dim)<sp/>{</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>range.<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(dim));</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"></highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="78" refid="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
+<codeline lineno="79" refid="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" kindref="member">subgrid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt;Dtype,NumDims-1,isCUDA&gt;;</highlight></codeline>
+<codeline lineno="80" refid="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1a2b3915885e717d2e7f3bc8c5ea5e23d3" kindref="member">managed_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,NumDims&gt;</ref>;</highlight></codeline>
+<codeline lineno="81" refid="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1af8d64c37f0bb3c754fa6b434ebb9a378" kindref="member">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,NumDims,false&gt;</ref>;</highlight></codeline>
+<codeline lineno="82" refid="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_1a7cd31597e6ee64880ff31d623ab6b1cd" kindref="member">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,NumDims,true&gt;</ref>;</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"></highlight></codeline>
+<codeline lineno="84" refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>NumDims;</highlight></codeline>
+<codeline lineno="85" refid="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" kindref="member">GPU</ref><sp/>=<sp/>isCUDA;</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"></highlight></codeline>
+<codeline lineno="88" refid="classlibmolgrid_1_1Grid_1a8593beea5ae18a49e3b23a395a98aa2c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a8593beea5ae18a49e3b23a395a98aa2c" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="90" refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,NumDims);<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i];<sp/>}</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"></highlight></codeline>
+<codeline lineno="93" refid="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1aa34bb4f76ce3a39298308bc3b185d0bf" kindref="member">offsets</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="95" refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];<sp/>}</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"></highlight></codeline>
+<codeline lineno="98" refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>1;</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>*=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i];</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"></highlight></codeline>
+<codeline lineno="107" refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"></highlight></codeline>
+<codeline lineno="110" refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(Dtype<sp/>*ptr)<sp/>{<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref><sp/>=<sp/>ptr;<sp/>}</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"></highlight></codeline>
+<codeline lineno="113" refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>():<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(nullptr),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{0},<sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>{0}<sp/>{</highlight></codeline>
 <codeline lineno="114"><highlight class="normal"></highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="120" refid="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e" kindref="member">Grid</ref>(Dtype<sp/>*</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/>I...<sp/>sizes):</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{<sp/><sp/></highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="keywordtype">size_t</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(sizes)...}<sp/>{</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>static_assert(NumDims<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(sizes),</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>grid<sp/>dimensions&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims-1]<sp/>=<sp/>1;</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NumDims-1;<sp/>i<sp/>&gt;<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i-1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"></highlight></codeline>
-<codeline lineno="134" refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" kindref="member">Grid</ref>(Dtype<sp/>*</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*sizes):</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d)<sp/>{</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims-1]<sp/>=<sp/>1;</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NumDims-1;<sp/>i<sp/>&gt;<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]<sp/>=<sp/>sizes[i];</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i-1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]<sp/>=<sp/>sizes[0];</highlight></codeline>
-<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"></highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&amp;)<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" kindref="member">~Grid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"></highlight></codeline>
-<codeline lineno="154" refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">subgrid_t</ref><sp/><ref refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]);</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt;Dtype,NumDims-1,isCUDA&gt;(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">,<sp/>i);</highlight></codeline>
-<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="158"><highlight class="normal"></highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="163" refid="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_1af4c80e9d4bd3250caf327413bb7e71a7" kindref="member">operator()</ref>(I...<sp/>indices)<sp/>{</highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"></highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="168" refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" kindref="member">operator()</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
-<codeline lineno="170"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"></highlight></codeline>
-<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="174" refid="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype*<sp/><ref refid="classlibmolgrid_1_1Grid_1a0dff89786df422b662a2be75e7517a1e" kindref="member">address</ref>(I...<sp/>indices)<sp/>{</highlight></codeline>
-<codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>&amp;<ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
-<codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"></highlight></codeline>
-<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="179" refid="classlibmolgrid_1_1Grid_1ad16f3140a0985865efe01db743da33c2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Dtype*<sp/><ref refid="classlibmolgrid_1_1Grid_1ad16f3140a0985865efe01db743da33c2" kindref="member">address</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>&amp;<ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="182"><highlight class="normal"></highlight></codeline>
-<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA&gt;</highlight></codeline>
-<codeline lineno="188" refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,NumDims,destCUDA&gt;</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/><ref refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" kindref="member">copyKind</ref>(isCUDA,destCUDA);</highlight></codeline>
-<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),kind));</highlight></codeline>
-<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="195"><highlight class="normal"></highlight></codeline>
-<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA&gt;</highlight></codeline>
-<codeline lineno="201" refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,NumDims,srcCUDA&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="203"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="204"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/><ref refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" kindref="member">copyKind</ref>(srcCUDA,isCUDA);</highlight></codeline>
-<codeline lineno="205"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),kind));</highlight></codeline>
-<codeline lineno="206"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="208"><highlight class="normal"></highlight></codeline>
-<codeline lineno="212" refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>cudaMemset(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="216"><highlight class="normal"></highlight></codeline>
-<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>constructor<sp/>used<sp/>by<sp/>operator[],<sp/>create<sp/>a<sp/>subgrid,<sp/>assuming<sp/>memory<sp/>is<sp/>allocated</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="218"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></highlight></codeline>
-<codeline lineno="219" refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" kindref="member">Grid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,NumDims+1,isCUDA&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(G.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>?<sp/>&amp;G.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()[i*G.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(0)]<sp/>:<sp/>nullptr)<sp/>{</highlight></codeline>
-<codeline lineno="220"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//slice<sp/>off<sp/>first<sp/>dimension</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]<sp/>=<sp/>G.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i+1);</highlight></codeline>
-<codeline lineno="223"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i]<sp/>=<sp/>G.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(i+1);</highlight></codeline>
-<codeline lineno="224"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="226"><highlight class="normal"></highlight></codeline>
-<codeline lineno="227"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="228"><highlight class="normal"></highlight></codeline>
-<codeline lineno="229"><highlight class="normal"></highlight><highlight class="comment">//<sp/>class<sp/>specialization<sp/>of<sp/>grid<sp/>to<sp/>make<sp/>final<sp/>operator[]<sp/>return<sp/>scalar</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="230"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Note:<sp/>if<sp/>we<sp/>start<sp/>adding<sp/>more<sp/>functionality<sp/>to<sp/>Grid,<sp/>we<sp/>will<sp/>need</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="231"><highlight class="normal"></highlight><highlight class="comment">//<sp/>to<sp/>refactor<sp/>this<sp/>into<sp/>a<sp/>separate<sp/>GridAccessor<sp/>class</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="232"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA<sp/>&gt;</highlight></codeline>
-<codeline lineno="233" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt;Dtype,1,isCUDA&gt;<sp/>{</highlight></codeline>
-<codeline lineno="234"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="235" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;</highlight></codeline>
-<codeline lineno="236" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[1];<sp/></highlight></codeline>
-<codeline lineno="237"><highlight class="normal"></highlight></codeline>
-<codeline lineno="238" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dim)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="239"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>__CUDA_ARCH__</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;=<sp/>dim)<sp/>{</highlight></codeline>
-<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>range.<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(dim));</highlight></codeline>
-<codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="243"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="244"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>assert(i<sp/>&lt;<sp/>dim);</highlight></codeline>
-<codeline lineno="245"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="247"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="248" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
-<codeline lineno="249" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" kindref="member">subgrid_t</ref><sp/>=<sp/>Dtype;</highlight></codeline>
-<codeline lineno="250" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1adc980d1b902f6a14af98e1ec10e2c96c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">managed_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">ManagedGrid&lt;Dtype,1&gt;</ref>;</highlight></codeline>
-<codeline lineno="251" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a32ca1fb679900a650a8f7ab6a128117a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,1,false&gt;</ref>;</highlight></codeline>
-<codeline lineno="252" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2177fcb80495c85151de7dad3d566744" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,1,true&gt;</ref>;</highlight></codeline>
-<codeline lineno="253"><highlight class="normal"></highlight></codeline>
-<codeline lineno="254" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>constexpr<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>1;</highlight></codeline>
-<codeline lineno="255" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa01454be2537d7eed47f8c16c82b0a23" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>constexpr<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aa01454be2537d7eed47f8c16c82b0a23" kindref="member">GPU</ref><sp/>=<sp/>isCUDA;</highlight></codeline>
-<codeline lineno="256"><highlight class="normal"></highlight></codeline>
-<codeline lineno="258" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a483b22b3df988a8a315fe4525097cd91" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a483b22b3df988a8a315fe4525097cd91" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="260" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<sp/>1);<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i];<sp/>}</highlight></codeline>
-<codeline lineno="261"><highlight class="normal"></highlight></codeline>
-<codeline lineno="263" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0];<sp/>}</highlight></codeline>
-<codeline lineno="264"><highlight class="normal"></highlight></codeline>
-<codeline lineno="266" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aaa5a68e1e5befda24cb7b3e422ba9cc5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="267"><highlight class="normal"></highlight></codeline>
-<codeline lineno="268" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>1;<sp/>}</highlight></codeline>
-<codeline lineno="269"><highlight class="normal"></highlight></codeline>
-<codeline lineno="271" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(Dtype<sp/>*ptr)<sp/>{<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref><sp/>=<sp/>ptr;<sp/>}</highlight></codeline>
-<codeline lineno="272"><highlight class="normal"></highlight></codeline>
-<codeline lineno="273" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>():<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(nullptr),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{0}<sp/>{<sp/>}</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"></highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="122" refid="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1ac6ad9f59dfa866852e61b9cc945b565e" kindref="member">Grid</ref>(Dtype<sp/>*</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/>I...<sp/>sizes):</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{<sp/><sp/>static_cast&lt;size_t&gt;(sizes)...}<sp/>{</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static_assert</highlight><highlight class="normal">(NumDims<sp/>==<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(sizes),</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>grid<sp/>dimensions&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims-1]<sp/>=<sp/>1;</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NumDims-1;<sp/>i<sp/>&gt;<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i-1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"></highlight></codeline>
+<codeline lineno="136" refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1ad43904e4e167c271e4c9ea21136a3f19" kindref="member">Grid</ref>(Dtype<sp/>*</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*sizes):</highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d)<sp/>{</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[NumDims-1]<sp/>=<sp/>1;</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"></highlight><highlight class="preprocessor"><sp/><sp/><sp/><sp/><sp/><sp/>#pragma<sp/>unroll</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>NumDims-1;<sp/>i<sp/>&gt;<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]<sp/>=<sp/>sizes[i];</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i-1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]*<ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i];</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]<sp/>=<sp/>sizes[0];</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="146"><highlight class="normal"></highlight></codeline>
+<codeline lineno="147" refid="classlibmolgrid_1_1Grid_1ad22da2de234b06dce1fc0a7017c4fcb0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1ad22da2de234b06dce1fc0a7017c4fcb0" kindref="member">Grid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&amp;)<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="148" refid="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a87382f290ed3feb1f2aecdc76e08f555" kindref="member">~Grid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"></highlight></codeline>
+<codeline lineno="156" refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Grid_1a250e95c1c39a4c3565752164162b33e5" kindref="member">subgrid_t</ref><sp/><ref refid="classlibmolgrid_1_1Grid_1a8e2e9f0033132d21a5dc0d81f29f4da4" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]);</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt;Dtype,NumDims-1,isCUDA&gt;(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">,<sp/>i);</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"></highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="165" refid="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_1aa9fa9557af39332466dfaf066ee6d4bd" kindref="member">operator()</ref>(I...<sp/>indices)<sp/>{</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
+<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"></highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="170" refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_1a4c0715b6c8593be928ec306c5f943a57" kindref="member">operator()</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"></highlight></codeline>
+<codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="176" refid="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype*<sp/><ref refid="classlibmolgrid_1_1Grid_1a59b632a08a539624adaa8d306699ac5c" kindref="member">address</ref>(I...<sp/>indices)<sp/>{</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>&amp;<ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
+<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"></highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="181" refid="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Dtype*<sp/><ref refid="classlibmolgrid_1_1Grid_1ac19fd8f66f0227f0b19bace30e324423" kindref="member">address</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>&amp;<ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[<ref refid="classlibmolgrid_1_1Grid_1a8e80dadd81041247ae111d11763fc2d2" kindref="member">getPos</ref>(indices...)];</highlight></codeline>
+<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="184"><highlight class="normal"></highlight></codeline>
+<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA&gt;</highlight></codeline>
+<codeline lineno="190" refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,NumDims,destCUDA&gt;</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA<sp/>||<sp/>destCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/>copyKind(isCUDA,<sp/>destCUDA);</highlight></codeline>
+<codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>kind));</highlight></codeline>
+<codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="200"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="201"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="202"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="203"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="204"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="205"><highlight class="normal"></highlight></codeline>
+<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA&gt;</highlight></codeline>
+<codeline lineno="208" refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,NumDims,srcCUDA&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
+<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="211"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(srcCUDA<sp/>||<sp/>isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/>copyKind(srcCUDA,<sp/>isCUDA);</highlight></codeline>
+<codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>kind));</highlight></codeline>
+<codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="218"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="219"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="220"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="222"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="223"><highlight class="normal"></highlight></codeline>
+<codeline lineno="225" refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()<sp/>{</highlight></codeline>
+<codeline lineno="226"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()));</highlight></codeline>
+<codeline lineno="229"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="230"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="231"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="232"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="234"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="236"><highlight class="normal"></highlight></codeline>
+<codeline lineno="237"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>constructor<sp/>used<sp/>by<sp/>operator[],<sp/>create<sp/>a<sp/>subgrid,<sp/>assuming<sp/>memory<sp/>is<sp/>allocated</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></highlight></codeline>
+<codeline lineno="239" refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a213a3ffc821285325de3b96cee1d025a" kindref="member">Grid</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,NumDims+1,isCUDA&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):<sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(G.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>?<sp/>&amp;G.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()[i*G.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(0)]<sp/>:<sp/>nullptr)<sp/>{</highlight></codeline>
+<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//slice<sp/>off<sp/>first<sp/>dimension</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[i]<sp/>=<sp/>G.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i+1);</highlight></codeline>
+<codeline lineno="243"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a8cc20beaeb20694fea94498420db09c0" kindref="member">offs</ref>[i]<sp/>=<sp/>G.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(i+1);</highlight></codeline>
+<codeline lineno="244"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="245"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="246"><highlight class="normal"></highlight></codeline>
+<codeline lineno="247"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="248"><highlight class="normal"></highlight></codeline>
+<codeline lineno="249"><highlight class="normal"></highlight><highlight class="comment">//<sp/>class<sp/>specialization<sp/>of<sp/>grid<sp/>to<sp/>make<sp/>final<sp/>operator[]<sp/>return<sp/>scalar</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="250"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA<sp/>&gt;</highlight></codeline>
+<codeline lineno="251" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>&lt;Dtype,1,isCUDA&gt;<sp/>{</highlight></codeline>
+<codeline lineno="252"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="253" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;</highlight></codeline>
+<codeline lineno="254" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>[1];<sp/></highlight></codeline>
+<codeline lineno="255"><highlight class="normal"></highlight></codeline>
+<codeline lineno="256" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>dim)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="257"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA<sp/>&amp;&amp;<sp/>defined(__CUDA_ARCH__)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="258"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>assert(i<sp/>&lt;<sp/>dim);</highlight></codeline>
+<codeline lineno="259"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="260"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;=<sp/>dim)<sp/>{</highlight></codeline>
+<codeline lineno="261"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Invalid<sp/>range.<sp/>&quot;</highlight><highlight class="normal">+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&gt;=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(dim));</highlight></codeline>
+<codeline lineno="262"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="263"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="265"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="266" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
+<codeline lineno="267" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" kindref="member">subgrid_t</ref><sp/>=<sp/>Dtype;</highlight></codeline>
+<codeline lineno="268" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1adc980d1b902f6a14af98e1ec10e2c96c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1adc980d1b902f6a14af98e1ec10e2c96c" kindref="member">managed_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,1&gt;</ref>;</highlight></codeline>
+<codeline lineno="269" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a32ca1fb679900a650a8f7ab6a128117a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a32ca1fb679900a650a8f7ab6a128117a" kindref="member">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,1,false&gt;</ref>;</highlight></codeline>
+<codeline lineno="270" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2177fcb80495c85151de7dad3d566744" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a2177fcb80495c85151de7dad3d566744" kindref="member">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,1,true&gt;</ref>;</highlight></codeline>
+<codeline lineno="271"><highlight class="normal"></highlight></codeline>
+<codeline lineno="272" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>1;</highlight></codeline>
+<codeline lineno="273" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa01454be2537d7eed47f8c16c82b0a23" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa01454be2537d7eed47f8c16c82b0a23" kindref="member">GPU</ref><sp/>=<sp/>isCUDA;</highlight></codeline>
 <codeline lineno="274"><highlight class="normal"></highlight></codeline>
-<codeline lineno="275" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" kindref="member">Grid</ref>(Dtype*<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz):</highlight></codeline>
-<codeline lineno="276"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{sz}<sp/>{<sp/>}</highlight></codeline>
-<codeline lineno="277"><highlight class="normal"></highlight></codeline>
-<codeline lineno="278" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a267a07557e1dd6b7a0ed10e276afd2f0" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)<sp/>{</highlight></codeline>
-<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]);</highlight></codeline>
-<codeline lineno="280"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[i];</highlight></codeline>
-<codeline lineno="281"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="276" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8593beea5ae18a49e3b23a395a98aa2c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8593beea5ae18a49e3b23a395a98aa2c" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="278" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<sp/>1);<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>[i];<sp/>}</highlight></codeline>
+<codeline lineno="279"><highlight class="normal"></highlight></codeline>
+<codeline lineno="281" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>[0];<sp/>}</highlight></codeline>
 <codeline lineno="282"><highlight class="normal"></highlight></codeline>
-<codeline lineno="283" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>[0]);</highlight></codeline>
-<codeline lineno="285"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[i];</highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="284" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="285"><highlight class="normal"></highlight></codeline>
+<codeline lineno="286" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>1;<sp/>}</highlight></codeline>
 <codeline lineno="287"><highlight class="normal"></highlight></codeline>
-<codeline lineno="288" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8ad9fc847771943373c0ece05f3761a6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a8ad9fc847771943373c0ece05f3761a6" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)<sp/>{</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[a];</highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="291"><highlight class="normal"></highlight></codeline>
-<codeline lineno="292" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[a];</highlight></codeline>
-<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="289" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(Dtype<sp/>*ptr)<sp/>{<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref><sp/>=<sp/>ptr;<sp/>}</highlight></codeline>
+<codeline lineno="290"><highlight class="normal"></highlight></codeline>
+<codeline lineno="291" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid</ref>():<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(nullptr),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>{0}<sp/>{<sp/>}</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"></highlight></codeline>
+<codeline lineno="293" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aef69ac40c00f38f7d637f1af03f8d63a" kindref="member">Grid</ref>(Dtype*<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz):</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(d),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>{sz}<sp/>{<sp/>}</highlight></codeline>
 <codeline lineno="295"><highlight class="normal"></highlight></codeline>
-<codeline lineno="296" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>cudaMemset(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="296" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0926c2a7709cc5a5d8292fcec6f09c4b" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)<sp/>{</highlight></codeline>
+<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>[0]);</highlight></codeline>
+<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[i];</highlight></codeline>
 <codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="300"><highlight class="normal"></highlight></codeline>
-<codeline lineno="301"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//only<sp/>called<sp/>from<sp/>regular<sp/>Grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></highlight></codeline>
-<codeline lineno="303" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" kindref="compound">Grid&lt;Dtype,1,isCUDA&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,2,isCUDA&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):</highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(&amp;G.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()[i*G.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(0)]),<sp/><ref refid="classlibmolgrid_1_1Grid_1aba11d68699b34a67478459c6d4a01753" kindref="member">dims</ref>{G.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)}<sp/>{}</highlight></codeline>
+<codeline lineno="301" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a4fd87ea12567337969e0d30b1c4a51ad" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" kindref="member">check_index</ref>(i,<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>[0]);</highlight></codeline>
+<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[i];</highlight></codeline>
+<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="305"><highlight class="normal"></highlight></codeline>
-<codeline lineno="306"><highlight class="normal"></highlight></codeline>
-<codeline lineno="307"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA&gt;</highlight></codeline>
-<codeline lineno="308" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,1,destCUDA&gt;</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="309"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="310"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="311"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/><ref refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" kindref="member">copyKind</ref>(isCUDA,destCUDA);</highlight></codeline>
-<codeline lineno="312"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),kind));</highlight></codeline>
-<codeline lineno="313"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="315"><highlight class="normal"></highlight></codeline>
-<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA&gt;</highlight></codeline>
-<codeline lineno="317" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype,1,srcCUDA&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="319"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/><ref refid="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" kindref="member">copyKind</ref>(srcCUDA,isCUDA);</highlight></codeline>
-<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),kind));</highlight></codeline>
-<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="324"><highlight class="normal"></highlight></codeline>
-<codeline lineno="325"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="326"><highlight class="normal"></highlight></codeline>
-<codeline lineno="327" refid="grid_8h_1aebe964ed887245ed1b6ae46d72674763" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXPAND_GRID_DEFINITIONS(Z,SIZE,_)<sp/>\</highlight></codeline>
-<codeline lineno="328"><highlight class="preprocessor">typedef<sp/>Grid&lt;float,<sp/>SIZE,<sp/>false&gt;<sp/>Grid##SIZE##f;<sp/>\</highlight></codeline>
-<codeline lineno="329"><highlight class="preprocessor">typedef<sp/>Grid&lt;double,<sp/>SIZE,<sp/>false&gt;<sp/>Grid##SIZE##d;<sp/>\</highlight></codeline>
-<codeline lineno="330"><highlight class="preprocessor">typedef<sp/>Grid&lt;float,<sp/>SIZE,<sp/>true&gt;<sp/>Grid##SIZE##fCUDA;<sp/>\</highlight></codeline>
-<codeline lineno="331"><highlight class="preprocessor">typedef<sp/>Grid&lt;double,<sp/>SIZE,<sp/>true&gt;<sp/>Grid##SIZE##dCUDA;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="332"><highlight class="normal"></highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><ref refid="namespacelibmolgrid_1abaefa4db48d107196d082640795579b1" kindref="member">BOOST_PP_REPEAT_FROM_TO</ref>(1,<ref refid="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" kindref="member">LIBMOLGRID_MAX_GRID_DIM</ref>,<sp/><ref refid="grid_8h_1aebe964ed887245ed1b6ae46d72674763" kindref="member">EXPAND_GRID_DEFINITIONS</ref>,<sp/>0);</highlight></codeline>
-<codeline lineno="334"><highlight class="normal"></highlight></codeline>
-<codeline lineno="335"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="336"><highlight class="normal"></highlight></codeline>
-<codeline lineno="337"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>GRID_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="306" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a87b462228dda8251adb1a75487d363d4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a87b462228dda8251adb1a75487d363d4" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)<sp/>{</highlight></codeline>
+<codeline lineno="307"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[a];</highlight></codeline>
+<codeline lineno="308"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="309"><highlight class="normal"></highlight></codeline>
+<codeline lineno="310" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7b8e84d93f65b9c3714f0acd8c7cd5c5" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="311"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>[a];</highlight></codeline>
+<codeline lineno="312"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="313"><highlight class="normal"></highlight></codeline>
+<codeline lineno="314" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()<sp/>{</highlight></codeline>
+<codeline lineno="315"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="317"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()));</highlight></codeline>
+<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="319"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>0,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="323"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="325"><highlight class="normal"></highlight></codeline>
+<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//only<sp/>called<sp/>from<sp/>regular<sp/>Grid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="327" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a133c18fbd775019548ec10f171ec157a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></highlight></codeline>
+<codeline lineno="328"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,1,isCUDA&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,2,isCUDA&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):</highlight></codeline>
+<codeline lineno="329"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a268477dcc97a377d747ac8d87c9e4832" kindref="member">buffer</ref>(&amp;G.<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()[i*G.<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(0)]),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a7af99c1e30f9f637316dab96f03c4b3d" kindref="member">dims</ref>{G.<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)}<sp/>{}</highlight></codeline>
+<codeline lineno="330"><highlight class="normal"></highlight></codeline>
+<codeline lineno="331"><highlight class="normal"></highlight></codeline>
+<codeline lineno="332"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>destCUDA&gt;</highlight></codeline>
+<codeline lineno="333" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,1,destCUDA&gt;</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="334"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="336"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA<sp/>||<sp/>destCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/>copyKind(isCUDA,<sp/>destCUDA);</highlight></codeline>
+<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>kind));</highlight></codeline>
+<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="343"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="345"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="346"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="347"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="348"><highlight class="normal"></highlight></codeline>
+<codeline lineno="349"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>srcCUDA&gt;</highlight></codeline>
+<codeline lineno="350" refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a0a335d0339fe70071fcdf4cd5b1c7b5f" kindref="member">Grid&lt;Dtype,1,srcCUDA&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
+<codeline lineno="351"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="352"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="353"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="354"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(srcCUDA<sp/>||<sp/>isCUDA)<sp/>{</highlight></codeline>
+<codeline lineno="355"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpyKind<sp/>kind<sp/>=<sp/>copyKind(srcCUDA,<sp/>isCUDA);</highlight></codeline>
+<codeline lineno="356"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>kind));</highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="358"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="360"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="362"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="365"><highlight class="normal"></highlight></codeline>
+<codeline lineno="366"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="367"><highlight class="normal"></highlight></codeline>
+<codeline lineno="368" refid="grid_8h_1aebe964ed887245ed1b6ae46d72674763" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXPAND_GRID_DEFINITIONS(Z,SIZE,_)<sp/>\</highlight></codeline>
+<codeline lineno="369"><highlight class="preprocessor">typedef<sp/>Grid&lt;float,<sp/>SIZE,<sp/>false&gt;<sp/>Grid##SIZE##f;<sp/>\</highlight></codeline>
+<codeline lineno="370"><highlight class="preprocessor">typedef<sp/>Grid&lt;double,<sp/>SIZE,<sp/>false&gt;<sp/>Grid##SIZE##d;<sp/>\</highlight></codeline>
+<codeline lineno="371"><highlight class="preprocessor">typedef<sp/>Grid&lt;float,<sp/>SIZE,<sp/>true&gt;<sp/>Grid##SIZE##fCUDA;<sp/>\</highlight></codeline>
+<codeline lineno="372"><highlight class="preprocessor">typedef<sp/>Grid&lt;double,<sp/>SIZE,<sp/>true&gt;<sp/>Grid##SIZE##dCUDA;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="373"><highlight class="normal"></highlight></codeline>
+<codeline lineno="374" refid="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7" refkind="member"><highlight class="normal"><ref refid="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7" kindref="member">BOOST_PP_REPEAT_FROM_TO</ref>(1,<ref refid="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" kindref="member">LIBMOLGRID_MAX_GRID_DIM</ref>,<sp/><ref refid="grid_8h_1aebe964ed887245ed1b6ae46d72674763" kindref="member">EXPAND_GRID_DEFINITIONS</ref>,<sp/>0);</highlight></codeline>
+<codeline lineno="375"><highlight class="normal"></highlight></codeline>
+<codeline lineno="376"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="377"><highlight class="normal"></highlight></codeline>
+<codeline lineno="378"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>GRID_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__interpolater_8cpp.xml b/docs/cpp/xml/grid__interpolater_8cpp.xml
index 4497ed26..3ce4c363 100644
--- a/docs/cpp/xml/grid__interpolater_8cpp.xml
+++ b/docs/cpp/xml/grid__interpolater_8cpp.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__interpolater_8cpp" kind="file" language="C++">
     <compoundname>grid_interpolater.cpp</compoundname>
     <includes refid="grid__interpolater_8h" local="yes">libmolgrid/grid_interpolater.h</includes>
@@ -7,17 +7,78 @@
     <includes local="no">vector</includes>
     <includes local="no">iomanip</includes>
     <incdepgraph>
-      <node id="32">
-        <label>iomanip</label>
+      <node id="33">
+        <label>libmolgrid/cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="34" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
       </node>
-      <node id="24">
+      <node id="6">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+      </node>
+      <node id="13">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
+      </node>
+      <node id="30">
         <label>libmolgrid/example.h</label>
         <link refid="example_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
+      </node>
+      <node id="22">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
         <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
         </childnode>
       </node>
       <node id="2">
@@ -31,88 +92,75 @@
         </childnode>
         <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
         <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
-        <childnode refid="29" relation="include">
+        <childnode refid="31" relation="include">
+        </childnode>
+        <childnode refid="33" relation="include">
         </childnode>
       </node>
-      <node id="12">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="6">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="31">
-        <label>cmath</label>
-      </node>
-      <node id="16">
-        <label>cassert</label>
-      </node>
-      <node id="27">
-        <label>stdexcept</label>
-      </node>
-      <node id="13">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="14" relation="include">
+      <node id="26">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
+      </node>
+      <node id="16">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
         <childnode refid="17" relation="include">
         </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
         <childnode refid="18" relation="include">
         </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
         <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="25">
-        <label>unordered_set</label>
+      <node id="32">
+        <label>libmolgrid/quaternion.h</label>
+        <link refid="quaternion_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
       </node>
-      <node id="29">
-        <label>libmolgrid/cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="30" relation="include">
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="29" relation="include">
+        </childnode>
+      </node>
+      <node id="31">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="27" relation="include">
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
-      </node>
-      <node id="23">
-        <label>random</label>
-      </node>
-      <node id="3">
-        <label>vector</label>
-      </node>
-      <node id="11">
-        <label>utility</label>
-      </node>
-      <node id="4">
-        <label>array</label>
-      </node>
-      <node id="18">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="10" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -120,96 +168,85 @@
         <link refid="grid__interpolater_8cpp"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="31" relation="include">
+        <childnode refid="35" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="32" relation="include">
+        <childnode refid="36" relation="include">
         </childnode>
       </node>
-      <node id="17">
-        <label>iostream</label>
+      <node id="5">
+        <label>algorithm</label>
       </node>
-      <node id="26">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="27" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="28" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
+      <node id="4">
+        <label>array</label>
       </node>
-      <node id="21">
-        <label>cuda.h</label>
+      <node id="19">
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="20">
-        <label>cuda_runtime_api.h</label>
+      <node id="23">
+        <label>boost/multi_array.hpp</label>
       </node>
-      <node id="15">
+      <node id="24">
         <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="9">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="13" relation="include">
-        </childnode>
+      <node id="15">
+        <label>boost/serialization/access.hpp</label>
       </node>
-      <node id="30">
-        <label>type_traits</label>
+      <node id="21">
+        <label>boost/serialization/array.hpp</label>
       </node>
-      <node id="14">
-        <label>boost/multi_array.hpp</label>
+      <node id="20">
+        <label>boost/serialization/split_member.hpp</label>
       </node>
-      <node id="28">
-        <label>libmolgrid/quaternion.h</label>
-        <link refid="quaternion_8h"/>
-        <childnode refid="6" relation="include">
-        </childnode>
+      <node id="25">
+        <label>cassert</label>
       </node>
-      <node id="22">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
+      <node id="35">
+        <label>cmath</label>
       </node>
-      <node id="5">
-        <label>algorithm</label>
+      <node id="17">
+        <label>cstdlib</label>
       </node>
-      <node id="19">
+      <node id="8">
         <label>cstring</label>
       </node>
-      <node id="7">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
+      <node id="36">
+        <label>iomanip</label>
       </node>
       <node id="10">
+        <label>iostream</label>
+      </node>
+      <node id="12">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="7">
         <label>memory</label>
       </node>
+      <node id="14">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="27">
+        <label>random</label>
+      </node>
+      <node id="9">
+        <label>stdexcept</label>
+      </node>
+      <node id="11">
+        <label>string</label>
+      </node>
+      <node id="34">
+        <label>type_traits</label>
+      </node>
+      <node id="29">
+        <label>unordered_set</label>
+      </node>
+      <node id="18">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -233,18 +270,18 @@
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="17" refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(float3<sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/>float3<sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="17" refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight></codeline>
 <codeline lineno="19"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">checkGrids</ref>(in,<sp/>out);</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
 <codeline lineno="21"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>in_radius<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref>/2.0;</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>out_radius<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref>/2.0;</highlight></codeline>
-<codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>in_origin<sp/>=<sp/>{in_center.x-in_radius,in_center.y-in_radius,in_center.z-in_radius};</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>out_origin<sp/>=<sp/>{out_center.x-out_radius,out_center.y-out_radius,out_center.z-out_radius};</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_origin<sp/>=<sp/>{in_center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>-in_radius,in_center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>-in_radius,in_center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>-in_radius};</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_origin<sp/>=<sp/>{out_center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>-out_radius,out_center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>-out_radius,out_center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>-out_radius};</highlight></codeline>
 <codeline lineno="25"><highlight class="normal"></highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>invQ<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84" kindref="member">get_quaternion</ref>().<ref refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" kindref="member">inverse</ref>();</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>t<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" kindref="member">get_translation</ref>();</highlight></codeline>
-<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>untranslate<sp/>=<sp/>{-t.x-center.x,<sp/>-t.y-center.y,<sp/>-t.z-center.z};</highlight></codeline>
+<codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>invQ<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" kindref="member">get_quaternion</ref>().<ref refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" kindref="member">inverse</ref>();</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>t<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" kindref="member">get_translation</ref>();</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>untranslate<sp/>=<sp/>{-t.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>-center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>-t.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>-center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>-t.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>-center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>};</highlight></codeline>
 <codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>K<sp/>=<sp/>in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"></highlight></codeline>
 <codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>in<sp/>out</highlight><highlight class="normal"></highlight></codeline>
@@ -252,11 +289,11 @@
 <codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>0;<sp/>j<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref>;<sp/>j++)<sp/>{</highlight></codeline>
 <codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>0;<sp/>k<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref>;<sp/>k++)<sp/>{</highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//compute<sp/>its<sp/>Cartesian<sp/>location</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>outpt<sp/>=<sp/><ref refid="namespacelibmolgrid_1a9c218888670e6716f1d3dc698da244fa" kindref="member">grid2cart</ref>(out_origin,<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>,<sp/>i,<sp/>j,<sp/>k);</highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>outpt<sp/>=<sp/><ref refid="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" kindref="member">grid2cart</ref>(out_origin,<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>,<sp/>i,<sp/>j,<sp/>k);</highlight></codeline>
 <codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//apply<sp/>inverse<sp/>transformation</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>newpt<sp/>=<sp/>invQ.<ref refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" kindref="member">rotate</ref>(outpt.x+untranslate.x,<sp/>outpt.y+untranslate.y,<sp/>outpt.z+untranslate.z);</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>newpt<sp/>=<sp/>invQ.<ref refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" kindref="member">rotate</ref>(outpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>+untranslate.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>outpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>+untranslate.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>outpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>+untranslate.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>);</highlight></codeline>
 <codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//get<sp/>(not<sp/>rounded)<sp/>input<sp/>grid<sp/>coordinates<sp/>(not<sp/>Cartesian)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>inpt<sp/>=<sp/><ref refid="namespacelibmolgrid_1a2dbb37176b2d9724d607ba464b5506e1" kindref="member">cart2grid</ref>(in_origin,<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>,<sp/>newpt.x+center.x,<sp/>newpt.y+center.y,<sp/>newpt.z+center.z);</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>inpt<sp/>=<sp/><ref refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" kindref="member">cart2grid</ref>(in_origin,<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>,<sp/>newpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>+center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>newpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>+center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>newpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>+center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>);</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//interpolate<sp/>for<sp/>each<sp/>channel</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>c<sp/>=<sp/>0;<sp/>c<sp/>&lt;<sp/>K;<sp/>c++)<sp/>{</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>out(c,i,j,k)<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">interpolate</ref>(in[c],<sp/>inpt);</highlight></codeline>
@@ -266,30 +303,30 @@
 <codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="48"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="49"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(float3<sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/>float3<sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(float3<sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/>float3<sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">GridInterpolater::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="52"><highlight class="normal"></highlight></codeline>
 <codeline lineno="53"><highlight class="normal"></highlight></codeline>
 <codeline lineno="54"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Sanity<sp/>check<sp/>grid<sp/>dimensions<sp/>and<sp/>throw<sp/>exceptions<sp/>if<sp/>they<sp/>are<sp/>wrong</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="55"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
 <codeline lineno="56" refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">GridInterpolater::checkGrids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="57"><highlight class="normal"></highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>==<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())<sp/>{</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Input<sp/>and<sp/>output<sp/>grid<sp/>can<sp/>not<sp/>be<sp/>the<sp/>same<sp/>in<sp/>GridInterpolator.&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>{</highlight></codeline>
 <codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Different<sp/>channel<sp/>dimensions<sp/>for<sp/>input<sp/>and<sp/>output<sp/><sp/>grids.&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>||<sp/>in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>||<sp/>in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Input<sp/>grid<sp/>wrong<sp/>dimension.<sp/>Should<sp/>be<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>)+</highlight><highlight class="stringliteral">&quot;<sp/>along<sp/>all<sp/>axes<sp/>but<sp/>is<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Input<sp/>grid<sp/>wrong<sp/>dimension.<sp/>Should<sp/>be<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>)+</highlight><highlight class="stringliteral">&quot;<sp/>along<sp/>all<sp/>axes<sp/>but<sp/>is<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
 <codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>||<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>||<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>wrong<sp/>dimension.<sp/>Should<sp/>be<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref>)+</highlight><highlight class="stringliteral">&quot;<sp/>along<sp/>all<sp/>axes<sp/>but<sp/>is<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>wrong<sp/>dimension.<sp/>Should<sp/>be<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref>)+</highlight><highlight class="stringliteral">&quot;<sp/>along<sp/>all<sp/>axes<sp/>but<sp/>is<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))+</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
 <codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
 <codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Input<sp/>grid<sp/>not<sp/>allocated&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
 <codeline lineno="74"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>not<sp/>allocated&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="76"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
@@ -298,8 +335,49 @@
 <codeline lineno="79"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">GridInterpolater::checkGrids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="80"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">GridInterpolater::checkGrids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="81"><highlight class="normal"></highlight></codeline>
-<codeline lineno="82"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>!LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>---------------------------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>Definitions<sp/>previously<sp/>in<sp/>grid_interpolater.cu<sp/>(CPU-callable)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>---------------------------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="86"><highlight class="normal"></highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="88" refid="classlibmolgrid_1_1GridInterpolater_1a64f8f349043aa37ffa3a5ad40aabeef7" refkind="member"><highlight class="normal"><sp/><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">GridInterpolater::get_pt</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>z)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(x<sp/>&lt;<sp/>0<sp/>||<sp/>x<sp/>&gt;=<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>)<sp/>||<sp/>y<sp/>&lt;<sp/>0<sp/>||<sp/>y<sp/>&gt;=<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>)<sp/>||<sp/>z<sp/>&lt;<sp/>0<sp/>||<sp/>z<sp/>&gt;=<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref>))</highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>in[x][y][z];</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"></highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="95" refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" refkind="member"><highlight class="normal"><sp/><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">GridInterpolater::interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>gridpt)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>xl<sp/>=<sp/>(int)floor(gridpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>),<sp/>xh<sp/>=<sp/>(int)ceil(gridpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>);</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>yl<sp/>=<sp/>(int)floor(gridpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>),<sp/>yh<sp/>=<sp/>(int)ceil(gridpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>);</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>zl<sp/>=<sp/>(int)floor(gridpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>),<sp/>zh<sp/>=<sp/>(int)ceil(gridpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>);</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"></highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>p000<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xl,yl,zl),<sp/>p001<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xl,yl,zh);</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>p010<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xl,yh,zl),<sp/>p011<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xl,yh,zh);</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>p100<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xh,yl,zl),<sp/>p101<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xh,yl,zh);</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>p110<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xh,yh,zl),<sp/>p111<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(in,xh,yh,zh);</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"></highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>xd<sp/>=<sp/>xh<sp/>&gt;<sp/>xl<sp/>?<sp/>(gridpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>-xl)/(xh-xl)<sp/>:<sp/>0;</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>yd<sp/>=<sp/>yh<sp/>&gt;<sp/>yl<sp/>?<sp/>(gridpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>-yl)/(yh-yl)<sp/>:<sp/>0;</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>zd<sp/>=<sp/>zh<sp/>&gt;<sp/>zl<sp/>?<sp/>(gridpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>-zl)/(zh-zl)<sp/>:<sp/>0;</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"></highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c00<sp/>=<sp/>p000*(1-xd)<sp/>+<sp/>p100*xd;</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c01<sp/>=<sp/>p001*(1-xd)<sp/>+<sp/>p101*xd;</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c10<sp/>=<sp/>p010*(1-xd)<sp/>+<sp/>p110*xd;</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c11<sp/>=<sp/>p011*(1-xd)<sp/>+<sp/>p111*xd;</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c0<sp/><sp/>=<sp/>c00*(1-yd)<sp/><sp/>+<sp/>c10*yd;</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>c1<sp/><sp/>=<sp/>c01*(1-yd)<sp/><sp/>+<sp/>c11*yd;</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>c0*(1-zd)<sp/>+<sp/>c1*zd;</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"></highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">GridInterpolater::interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float,  3, true&gt;</ref>&amp;<sp/><sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">GridInterpolater::interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float,  3, false&gt;</ref>&amp;<sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">GridInterpolater::interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 3, false&gt;</ref>&amp;<sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="122"><highlight class="normal"></highlight></codeline>
+<codeline lineno="123"><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_interpolater.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__interpolater_8cu.xml b/docs/cpp/xml/grid__interpolater_8cu.xml
index 88da53fa..02a464f0 100644
--- a/docs/cpp/xml/grid__interpolater_8cu.xml
+++ b/docs/cpp/xml/grid__interpolater_8cu.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__interpolater_8cu" kind="file" language="C++">
     <compoundname>grid_interpolater.cu</compoundname>
     <briefdescription>
@@ -231,6 +231,6 @@
 <codeline></codeline>
 <codeline></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_interpolater.cu"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_interpolater.cu"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__interpolater_8h.xml b/docs/cpp/xml/grid__interpolater_8h.xml
index 330888c8..af0efd23 100644
--- a/docs/cpp/xml/grid__interpolater_8h.xml
+++ b/docs/cpp/xml/grid__interpolater_8h.xml
@@ -1,11 +1,11 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__interpolater_8h" kind="file" language="C++">
     <compoundname>grid_interpolater.h</compoundname>
     <includes local="no">vector</includes>
     <includes local="no">array</includes>
     <includes local="no">algorithm</includes>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="grid_8h" local="yes">libmolgrid/grid.h</includes>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
@@ -13,191 +13,228 @@
     <includes refid="cartesian__grid_8h" local="yes">libmolgrid/cartesian_grid.h</includes>
     <includedby refid="grid__interpolater_8cpp" local="yes">grid_interpolater.cpp</includedby>
     <incdepgraph>
-      <node id="23">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="2" relation="include">
+      <node id="32">
+        <label>libmolgrid/cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="33" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+      </node>
+      <node id="5">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
         <childnode refid="6" relation="include">
         </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
       </node>
-      <node id="1">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
+      <node id="12">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+      </node>
+      <node id="29">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="11">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="5">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="15">
-        <label>cassert</label>
-      </node>
-      <node id="26">
-        <label>stdexcept</label>
-      </node>
-      <node id="12">
+      <node id="21">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="24">
-        <label>unordered_set</label>
-      </node>
-      <node id="28">
-        <label>libmolgrid/cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="29" relation="include">
+      <node id="1">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-      </node>
-      <node id="22">
-        <label>random</label>
-      </node>
-      <node id="2">
-        <label>vector</label>
-      </node>
-      <node id="10">
-        <label>utility</label>
-      </node>
-      <node id="3">
-        <label>array</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="9" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="29" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
+        </childnode>
+        <childnode refid="32" relation="include">
         </childnode>
-      </node>
-      <node id="16">
-        <label>iostream</label>
       </node>
       <node id="25">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="22" relation="include">
-        </childnode>
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
         <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
-        </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="20">
-        <label>cuda.h</label>
-      </node>
-      <node id="19">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="14">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="8">
+      <node id="15">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="9" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
         </childnode>
       </node>
-      <node id="29">
-        <label>type_traits</label>
-      </node>
-      <node id="13">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="27">
+      <node id="31">
         <label>libmolgrid/quaternion.h</label>
         <link refid="quaternion_8h"/>
         <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="21">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="22" relation="include">
+      <node id="27">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+      </node>
+      <node id="30">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
         </childnode>
       </node>
       <node id="4">
         <label>algorithm</label>
       </node>
+      <node id="3">
+        <label>array</label>
+      </node>
       <node id="18">
-        <label>cstring</label>
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="6">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
+      <node id="22">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="23">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="19">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="24">
+        <label>cassert</label>
+      </node>
+      <node id="16">
+        <label>cstdlib</label>
+      </node>
+      <node id="7">
+        <label>cstring</label>
       </node>
       <node id="9">
+        <label>iostream</label>
+      </node>
+      <node id="11">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="6">
         <label>memory</label>
       </node>
+      <node id="13">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="26">
+        <label>random</label>
+      </node>
+      <node id="8">
+        <label>stdexcept</label>
+      </node>
+      <node id="10">
+        <label>string</label>
+      </node>
+      <node id="33">
+        <label>type_traits</label>
+      </node>
+      <node id="28">
+        <label>unordered_set</label>
+      </node>
+      <node id="17">
+        <label>utility</label>
+      </node>
+      <node id="2">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
       <node id="1">
@@ -221,190 +258,148 @@
 <codeline lineno="1"><highlight class="comment">/*</highlight></codeline>
 <codeline lineno="2"><highlight class="comment"><sp/>*<sp/>grid_interpolater.h</highlight></codeline>
 <codeline lineno="3"><highlight class="comment"><sp/>*</highlight></codeline>
-<codeline lineno="4"><highlight class="comment"><sp/>*<sp/><sp/>Created<sp/>on:<sp/>Nov<sp/>16,<sp/>2020</highlight></codeline>
-<codeline lineno="5"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>Author:<sp/>dkoes</highlight></codeline>
-<codeline lineno="6"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="7"><highlight class="normal"></highlight></codeline>
-<codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="10"><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;array&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;algorithm&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="transform_8h" kindref="compound">libmolgrid/transform.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="19"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="cartesian__grid_8h" kindref="compound">libmolgrid/cartesian_grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="22"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater</highlight></codeline>
-<codeline lineno="29" refid="classlibmolgrid_1_1GridInterpolater" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GridInterpolater" kindref="compound">GridInterpolater</ref><sp/>{</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"></highlight></codeline>
-<codeline lineno="32" refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref><sp/>=<sp/>0.5;</highlight></codeline>
-<codeline lineno="33" refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref><sp/>=<sp/>0.05;</highlight></codeline>
-<codeline lineno="34" refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//length<sp/>in<sp/>Angstroms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="35" refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="36" refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//number<sp/>of<sp/>points</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="37" refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="38"><highlight class="normal"></highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Sanity<sp/>check<sp/>grid<sp/>dimensions<sp/>and<sp/>throw<sp/>exceptions<sp/>if<sp/>they<sp/>are<sp/>wrong</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">checkGrids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"></highlight></codeline>
-<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>setup<sp/>and<sp/>initialize<sp/>texture<sp/>from<sp/>in</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/>cudaTextureObject_t<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a49d6bf9a3927ef3cd5b416740b0b94a9" kindref="member">initializeTexture</ref>(<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, true&gt;</ref>&amp;<sp/>in)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="46"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//deallocate<sp/>memory<sp/>for<sp/>GPU<sp/>texture<sp/>memory</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" kindref="member">clearTexture</ref>();</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"></highlight></codeline>
-<codeline lineno="49" refid="classlibmolgrid_1_1GridInterpolater_1aff68190c6ea2608819bc6e3dbdadbe3d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/>cudaArray_t<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aff68190c6ea2608819bc6e3dbdadbe3d" kindref="member">cuArray</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;<sp/></highlight><highlight class="comment">//cache<sp/>to<sp/>avoid<sp/>reallocating</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"></highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="52"><highlight class="normal"></highlight></codeline>
-<codeline lineno="59" refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" kindref="member">GridInterpolater</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>inres,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>indim,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>outres,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>outdim)<sp/>:</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>(inres),<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>(outres),</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref>(indim),<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref>(outdim)<sp/>{</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="65"><highlight class="normal"></highlight></codeline>
-<codeline lineno="66" refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" kindref="member">~GridInterpolater</ref>()<sp/>{<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" kindref="member">clearTexture</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"></highlight></codeline>
-<codeline lineno="69" refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" kindref="member">get_in_resolution</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="71" refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" kindref="member">get_out_resolution</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"></highlight></codeline>
-<codeline lineno="74" refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" kindref="member">set_in_resolution</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res)<sp/>{</highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref><sp/>=<sp/>res;</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" kindref="member">clearTexture</ref>();</highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="80" refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" kindref="member">set_out_resolution</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res)<sp/>{<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref><sp/>=<sp/>res;<sp/>}</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"></highlight></codeline>
-<codeline lineno="83" refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" kindref="member">get_in_dimension</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="85" refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" kindref="member">get_out_dimension</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"></highlight></codeline>
-<codeline lineno="88" refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" kindref="member">set_in_dimension</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d)<sp/>{</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
-<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>=<sp/>d;</highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" kindref="member">clearTexture</ref>();</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="94" refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" kindref="member">set_out_dimension</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d)<sp/>{<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>=<sp/>d;}</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"></highlight></codeline>
-<codeline lineno="96"><highlight class="normal"></highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_1</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="99"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>and<sp/>transformation<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="100"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Each<sp/>grid<sp/>point<sp/>of<sp/>the<sp/>input<sp/>grid<sp/>has<sp/>the<sp/>transform<sp/>applied<sp/>to<sp/>its<sp/>position<sp/>to<sp/>determine</highlight></codeline>
-<codeline lineno="101"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>its<sp/>location<sp/>in<sp/>the<sp/>output<sp/>grid.</highlight></codeline>
-<codeline lineno="102"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>CPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="103"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>transform<sp/><sp/>a<sp/>transformation<sp/>to<sp/>apply.<sp/><sp/>Input<sp/>grid<sp/>is<sp/>rotated<sp/>about<sp/>its<sp/>center<sp/>and<sp/>then<sp/>translated.</highlight></codeline>
-<codeline lineno="104"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>CPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="105"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="107" refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(center,<sp/>in,<sp/>transform,<sp/>center,<sp/>out);</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_2</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="114"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="115"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>GPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="116"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>transform<sp/><sp/>a<sp/>transformation<sp/>to<sp/>apply.<sp/><sp/>Input<sp/>grid<sp/>is<sp/>rotated<sp/>about<sp/>its<sp/>center<sp/>and<sp/>then<sp/>translated.</highlight></codeline>
-<codeline lineno="117"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>GPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="118"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="4"><highlight class="comment"><sp/>*<sp/>Grid<sp/>interpolation<sp/>helpers.</highlight></codeline>
+<codeline lineno="5"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;array&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;algorithm&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="transform_8h" kindref="compound">libmolgrid/transform.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="cartesian__grid_8h" kindref="compound">libmolgrid/cartesian_grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"></highlight></codeline>
+<codeline lineno="22"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="28" refid="classlibmolgrid_1_1GridInterpolater" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" kindref="member">GridInterpolater</ref><sp/>{</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"></highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref><sp/>=<sp/>0.5;</highlight></codeline>
+<codeline lineno="32" refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref><sp/>=<sp/>0.05;</highlight></codeline>
+<codeline lineno="33" refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>=<sp/>0;<sp/><sp/></highlight><highlight class="comment">//<sp/>length<sp/>in<sp/>Angstroms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="34" refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="35" refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>0;<sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>number<sp/>of<sp/>points</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="36" refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"></highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Sanity<sp/>check<sp/>grid<sp/>dimensions<sp/>and<sp/>throw<sp/>exceptions<sp/>if<sp/>they<sp/>are<sp/>wrong</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kindref="member">checkGrids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight></codeline>
+<codeline lineno="42"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/>cudaTextureObject_t<sp/>initializeTexture(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, true&gt;</ref>&amp;<sp/>in)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>clearTexture();</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/>cudaArray_t<sp/>cuArray<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="47"><highlight class="normal"></highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight></codeline>
+<codeline lineno="56" refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" kindref="member">GridInterpolater</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>inres,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>indim,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>outres,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>outdim)<sp/>:</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>(inres),<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>(outres),</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref>(indim),<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref>(outdim)<sp/>{</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/><sp/>+<sp/>1;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kindref="member">out_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"></highlight></codeline>
+<codeline lineno="63" refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">virtual</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" kindref="member">~GridInterpolater</ref>()<sp/>{</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>clearTexture();</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"></highlight></codeline>
+<codeline lineno="70" refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" kindref="member">get_in_resolution</ref>()</highlight><highlight class="keyword"><sp/><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="72" refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af511eaea6a733f0882f7d58dc73d86ad" kindref="member">get_out_resolution</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"></highlight></codeline>
+<codeline lineno="75" refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1ae1db6f66081fc63563e3cc9b0a82edbf" kindref="member">set_in_resolution</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res)<sp/>{</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref><sp/>=<sp/>res;</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>clearTexture();</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="83" refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a11881d9b8255ea907c8ecc444c571199" kindref="member">set_out_resolution</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res)<sp/>{<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1af63129db61e0a37f852594276827a946" kindref="member">out_resolution</ref><sp/>=<sp/>res;<sp/>}</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"></highlight></codeline>
+<codeline lineno="86" refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1ad8ca94fd56b98339ca9fb9293a1d384d" kindref="member">get_in_dimension</ref>()</highlight><highlight class="keyword"><sp/><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="88" refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5f9108cf7a16617867e1802cf8e0e1fa" kindref="member">get_out_dimension</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref>;<sp/>}</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"></highlight></codeline>
+<codeline lineno="91" refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a92d139b1f580836cfccfa9ee5ac9e9fd" kindref="member">set_in_dimension</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d)<sp/>{</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a9547df9399db74b81c522505c203fdd4" kindref="member">in_dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a445217310e7609927f1440fb3cfcb84c" kindref="member">in_resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a6e95c2286ec4a0e13025d6d22e462eab" kindref="member">in_dimension</ref><sp/>=<sp/>d;</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>clearTexture();</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="99" refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1abbfd3a76810ef02a76af6aac0a2173bf" kindref="member">set_out_dimension</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d)<sp/>{<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kindref="member">out_dimension</ref><sp/>=<sp/>d;<sp/>}</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"></highlight></codeline>
+<codeline lineno="101"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_1</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid<sp/>(CPU).<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="105" refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(center,<sp/>in,<sp/>transform,<sp/>center,<sp/>out);</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"></highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid<sp/>(GPU/unified<sp/>memory).<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="113" refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(center,<sp/>in,<sp/>transform,<sp/>center,<sp/>out);</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"></highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_3</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="120" refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1f6f6b83ea2c46f5dc13480b902feb90" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>center<sp/>=<sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>();</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(center,<sp/>in,<sp/>transform,<sp/>center,<sp/>out);</highlight></codeline>
+<codeline lineno="120" refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation=</highlight><highlight class="keyword">false</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0.0,<sp/>0.0,<sp/>0.0),<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
 <codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"></highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_3</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Convenience<sp/>function<sp/>for<sp/>randomly<sp/>interpolating<sp/>a<sp/>CPU<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="127"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="128"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="129"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="130"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_translation<sp/><sp/>maximum<sp/>amount<sp/>to<sp/>randomly<sp/>translate<sp/>each<sp/>coordinate<sp/>(+/-)</highlight></codeline>
-<codeline lineno="131"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_rotation<sp/><sp/>whether<sp/>or<sp/>not<sp/>to<sp/>randomly<sp/>rotate</highlight></codeline>
-<codeline lineno="132"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_4</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="127" refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation=</highlight><highlight class="keyword">false</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(<ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0.0,<sp/>0.0,<sp/>0.0),<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"></highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_5</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="134" refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a8c1b958bbb5f4db0246a9b686a2d8b84" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation=</highlight><highlight class="keyword">false</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(make_float3(0.0,<sp/>0.0,<sp/>0.0),<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"></highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_4</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Convenience<sp/>function<sp/>for<sp/>randomly<sp/>interpolating<sp/>a<sp/>CUDA<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="141"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="142"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="143"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="144"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_translation<sp/><sp/>maximum<sp/>amount<sp/>to<sp/>randomly<sp/>translate<sp/>each<sp/>coordinate<sp/>(+/-)</highlight></codeline>
-<codeline lineno="145"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_rotation<sp/><sp/>whether<sp/>or<sp/>not<sp/>to<sp/>randomly<sp/>rotate</highlight></codeline>
-<codeline lineno="146"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="148" refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1acad3dc75e3f27649e1de5d52c063e98d" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation=0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation=</highlight><highlight class="keyword">false</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(make_float3(0.0,<sp/>0.0,<sp/>0.0),<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
-<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
-<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="152"><highlight class="normal"></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_5</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="155"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>and<sp/>transformation<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="156"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Each<sp/>grid<sp/>point<sp/>of<sp/>the<sp/>input<sp/>grid<sp/>has<sp/>the<sp/>transform<sp/>applied<sp/>to<sp/>its<sp/>position<sp/>to<sp/>determine</highlight></codeline>
-<codeline lineno="157"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>its<sp/>location<sp/>in<sp/>the<sp/>output<sp/>grid.</highlight></codeline>
-<codeline lineno="158"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in_center<sp/><sp/>center<sp/>of<sp/>input<sp/>grid</highlight></codeline>
-<codeline lineno="159"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>CPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="160"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>transform<sp/><sp/>a<sp/>transformation<sp/>to<sp/>apply.<sp/><sp/>Input<sp/>grid<sp/>is<sp/>rotated<sp/>about<sp/>its<sp/>center<sp/>and<sp/>then<sp/>translated.</highlight></codeline>
-<codeline lineno="161"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>out_center<sp/>center<sp/>of<sp/>output<sp/>grid</highlight></codeline>
-<codeline lineno="162"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>CPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="163"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(float3<sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/>float3<sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"></highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_6</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Interpolate<sp/>a<sp/>grid<sp/>tensor<sp/>from<sp/>another<sp/>grid.</highlight></codeline>
-<codeline lineno="169"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Grids<sp/>are<sp/>assumed<sp/>to<sp/>have<sp/>the<sp/>same<sp/>center.<sp/><sp/>Grids<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
-<codeline lineno="170"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in_center<sp/><sp/>center<sp/>of<sp/>input<sp/>grid</highlight></codeline>
-<codeline lineno="171"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/><sp/>a<sp/>GPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="172"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>transform<sp/><sp/>a<sp/>transformation<sp/>to<sp/>apply.<sp/><sp/>Input<sp/>grid<sp/>is<sp/>rotated<sp/>about<sp/>its<sp/>center<sp/>and<sp/>then<sp/>translated.</highlight></codeline>
-<codeline lineno="173"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>out_center<sp/>center<sp/>of<sp/>output<sp/>grid</highlight></codeline>
-<codeline lineno="174"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/><sp/>a<sp/>GPU<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="175"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(float3<sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/>float3<sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"></highlight></codeline>
-<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//TODO:<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="180"><highlight class="normal"></highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>z)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="183"><highlight class="normal"></highlight></codeline>
-<codeline lineno="184"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/>float3<sp/>gridpt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="186"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="187"><highlight class="normal"></highlight></codeline>
-<codeline lineno="188"><highlight class="normal"></highlight><highlight class="comment">//<sp/>return<sp/>grid<sp/>coordinates<sp/>(not<sp/>rounded)<sp/>for<sp/>Cartesian<sp/>coordinates</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="189" refid="namespacelibmolgrid_1a2dbb37176b2d9724d607ba464b5506e1" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>float3<sp/><ref refid="namespacelibmolgrid_1a2dbb37176b2d9724d607ba464b5506e1" kindref="member">cart2grid</ref>(float3<sp/>origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/>{</highlight></codeline>
-<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>pt<sp/>=<sp/>{<sp/>(x-origin.x)/resolution,<sp/>(y-origin.y)/resolution,<sp/>(z-origin.z)/resolution<sp/>};</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
-<codeline lineno="192"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="193"><highlight class="normal"></highlight></codeline>
-<codeline lineno="194"><highlight class="normal"></highlight><highlight class="comment">//<sp/>return<sp/>Cartesian<sp/>coordinates<sp/>of<sp/>provided<sp/>grid<sp/>position</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="195" refid="namespacelibmolgrid_1a9c218888670e6716f1d3dc698da244fa" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>float3<sp/><ref refid="namespacelibmolgrid_1a9c218888670e6716f1d3dc698da244fa" kindref="member">grid2cart</ref>(float3<sp/>origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k)<sp/>{</highlight></codeline>
-<codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>pt<sp/>=<sp/>{origin.x+i*resolution,origin.y+j*resolution,origin.z+k*resolution};</highlight></codeline>
-<codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
-<codeline lineno="198"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="199"><highlight class="normal"></highlight></codeline>
-<codeline lineno="200"><highlight class="normal"></highlight></codeline>
-<codeline lineno="201"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="202"><highlight class="normal"></highlight></codeline>
-<codeline lineno="203"><highlight class="normal"></highlight></codeline>
-<codeline lineno="204"><highlight class="normal"></highlight></codeline>
-<codeline lineno="205"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a1a9c3def7f585a62547d0abf3f535b1b" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"></highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridInterpolater_forward_6</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="138" refid="classlibmolgrid_1_1GridInterpolater_1a82e555c9410eb768286054e7bca5bd4b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a82e555c9410eb768286054e7bca5bd4b" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_center,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"></highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//TODO:<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="141"><highlight class="normal"></highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="143" refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kindref="member">get_pt</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>z)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"></highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="146" refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kindref="member">interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, isCUDA&gt;</ref>&amp;<sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>gridpt)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="147"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"></highlight></codeline>
+<codeline lineno="149"><highlight class="normal"></highlight><highlight class="comment">//<sp/>return<sp/>grid<sp/>coordinates<sp/>(not<sp/>rounded)<sp/>for<sp/>Cartesian<sp/>coordinates</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="150" refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" kindref="member">cart2grid</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/>{</highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt<sp/>=<sp/>{<sp/>(x-origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>)/resolution,<sp/>(y-origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>)/resolution,<sp/>(z-origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>)/resolution<sp/>};</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
+<codeline lineno="153"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"></highlight></codeline>
+<codeline lineno="155"><highlight class="normal"></highlight><highlight class="comment">//<sp/>return<sp/>Cartesian<sp/>coordinates<sp/>of<sp/>provided<sp/>grid<sp/>position</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="156" refid="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" kindref="member">grid2cart</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k)<sp/>{</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt<sp/>=<sp/>{origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>+i*resolution,<sp/>origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>+j*resolution,<sp/>origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>+k*resolution};</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>pt;</highlight></codeline>
+<codeline lineno="159"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"></highlight></codeline>
+<codeline lineno="161"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="162"><highlight class="normal"></highlight></codeline>
+<codeline lineno="163"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>INCLUDE_LIBMOLGRID_GRID_INTERPOLATER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__io_8cpp.xml b/docs/cpp/xml/grid__io_8cpp.xml
index 1ceb3f7f..4b98e9b7 100644
--- a/docs/cpp/xml/grid__io_8cpp.xml
+++ b/docs/cpp/xml/grid__io_8cpp.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__io_8cpp" kind="file" language="C++">
     <compoundname>grid_io.cpp</compoundname>
     <includes refid="grid__io_8h" local="yes">libmolgrid/grid_io.h</includes>
@@ -7,32 +7,31 @@
     <includes local="no">fstream</includes>
     <includes local="no">iomanip</includes>
     <incdepgraph>
-      <node id="21">
-        <label>boost/algorithm/string.hpp</label>
-      </node>
-      <node id="23">
-        <label>iomanip</label>
-      </node>
-      <node id="8">
-        <label>boost/lexical_cast.hpp</label>
+      <node id="3">
+        <label>libmolgrid/cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
       </node>
-      <node id="1">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
-        <childnode refid="2" relation="include">
+      <node id="13">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
         </childnode>
-      </node>
-      <node id="18">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="9">
-        <label>cassert</label>
       </node>
       <node id="5">
         <label>libmolgrid/grid.h</label>
@@ -49,7 +48,11 @@
         </childnode>
         <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
         </childnode>
       </node>
       <node id="2">
@@ -60,85 +63,105 @@
         <childnode refid="10" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>libmolgrid/cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="19" relation="include">
-        </childnode>
-      </node>
-      <node id="22">
-        <label>fstream</label>
-      </node>
       <node id="17">
-        <label>random</label>
-      </node>
-      <node id="20">
-        <label>utility</label>
-      </node>
-      <node id="11">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="12" relation="include">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
       </node>
-      <node id="10">
-        <label>iostream</label>
-      </node>
-      <node id="15">
-        <label>cuda.h</label>
-      </node>
-      <node id="14">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="7">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
       <node id="19">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="12" relation="include">
-        </childnode>
         <childnode refid="20" relation="include">
         </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
         <childnode refid="8" relation="include">
         </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
         <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="4">
-        <label>type_traits</label>
-      </node>
-      <node id="6">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="16">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="17" relation="include">
+      <node id="1">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
       </node>
-      <node id="13">
+      <node id="24">
+        <label>boost/algorithm/string.hpp</label>
+      </node>
+      <node id="8">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="6">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="7">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="23">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="22">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="9">
+        <label>cassert</label>
+      </node>
+      <node id="20">
+        <label>cstdlib</label>
+      </node>
+      <node id="11">
         <label>cstring</label>
       </node>
-      <node id="12">
+      <node id="25">
+        <label>fstream</label>
+      </node>
+      <node id="26">
+        <label>iomanip</label>
+      </node>
+      <node id="10">
+        <label>iostream</label>
+      </node>
+      <node id="16">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="14">
         <label>memory</label>
       </node>
+      <node id="18">
+        <label>random</label>
+      </node>
+      <node id="12">
+        <label>stdexcept</label>
+      </node>
+      <node id="15">
+        <label>string</label>
+      </node>
+      <node id="4">
+        <label>type_traits</label>
+      </node>
+      <node id="21">
+        <label>utility</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <innernamespace refid="namespaceboost">boost</innernamespace>
@@ -167,7 +190,7 @@
 <codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">using<sp/>namespace<sp/></highlight><highlight class="normal">boost;</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight><highlight class="comment">//parse<sp/>dx<sp/>header</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="21" refid="namespacelibmolgrid_1a10bb36f3a95760807a6c7006732bc624" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a10bb36f3a95760807a6c7006732bc624" kindref="member">read_dx_helper</ref>(std::istream&amp;<sp/>in,<sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">&amp;<sp/>res)<sp/>{</highlight></codeline>
+<codeline lineno="21" refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" kindref="member">read_dx_helper</ref>(std::istream&amp;<sp/>in,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">&amp;<sp/>res)<sp/>{</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>line;</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"><sp/><sp/>vector&lt;string&gt;<sp/>tokens;</highlight></codeline>
 <codeline lineno="24"><highlight class="normal"></highlight></codeline>
@@ -175,8 +198,8 @@
 <codeline lineno="26"><highlight class="normal"><sp/><sp/>split(tokens,<sp/>line,<sp/>is_any_of(</highlight><highlight class="stringliteral">&quot;<sp/>\t&quot;</highlight><highlight class="normal">),<sp/>token_compress_on);</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(tokens.size()<sp/>!=<sp/>8)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>tokens<sp/>!=<sp/>8&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>lexical_cast&lt;unsigned&gt;(tokens[7]);</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(lexical_cast&lt;unsigned&gt;(tokens[6])<sp/>!=<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>tokens[6]<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n));</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(lexical_cast&lt;unsigned&gt;(tokens[5])<sp/>!=<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>tokens[5]<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n));</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(lexical_cast&lt;unsigned&gt;(tokens[6])<sp/>!=<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>tokens[6]<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n));</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(lexical_cast&lt;unsigned&gt;(tokens[5])<sp/>!=<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>tokens[5]<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n));</highlight></codeline>
 <codeline lineno="31"><highlight class="normal"></highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//the<sp/>center</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="33"><highlight class="normal"><sp/><sp/>getline(in,<sp/>line);</highlight></codeline>
@@ -204,9 +227,9 @@
 <codeline lineno="55"><highlight class="normal"></highlight></codeline>
 <codeline lineno="56"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//figure<sp/>out<sp/>center</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="57"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>half<sp/>=<sp/>res<sp/>*<sp/>(n-1)<sp/>/<sp/>2.0;</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/>center.x<sp/>=<sp/>x<sp/>+<sp/>half;</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/>center.y<sp/>=<sp/>y<sp/>+<sp/>half;</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/>center.z<sp/>=<sp/>z<sp/>+<sp/>half;</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/>center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>x<sp/>+<sp/>half;</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/>center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>y<sp/>+<sp/>half;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/>center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>z<sp/>+<sp/>half;</highlight></codeline>
 <codeline lineno="61"><highlight class="normal"></highlight></codeline>
 <codeline lineno="62"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//grid<sp/>connections</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="63"><highlight class="normal"><sp/><sp/>getline(in,<sp/>line);</highlight></codeline>
@@ -218,9 +241,9 @@
 <codeline lineno="69"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
 <codeline lineno="70" refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;DType, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in)<sp/>{</highlight></codeline>
 <codeline lineno="71"><highlight class="normal"></highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/>float3<sp/>center;</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center;</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res;</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1a10bb36f3a95760807a6c7006732bc624" kindref="member">read_dx_helper</ref>(in,<sp/>center,<sp/>res);</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" kindref="member">read_dx_helper</ref>(in,<sp/>center,<sp/>res);</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//data<sp/>begins</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="76"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;DType, 3&gt;</ref><sp/>grid(n,n,n);</highlight></codeline>
 <codeline lineno="77"><highlight class="normal"></highlight></codeline>
@@ -233,26 +256,26 @@
 <codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="86"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(total<sp/>!=<sp/>n<sp/>*<sp/>n<sp/>*<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>incorrect<sp/>number<sp/>of<sp/>data<sp/>points<sp/>(&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(total)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n*n*n));</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(total<sp/>!=<sp/>n<sp/>*<sp/>n<sp/>*<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>incorrect<sp/>number<sp/>of<sp/>data<sp/>points<sp/>(&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(total)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n*n*n));</highlight></codeline>
 <codeline lineno="88"><highlight class="normal"></highlight></codeline>
 <codeline lineno="89"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;DType, 3&gt;</ref><sp/>&gt;(grid,<sp/>center,<sp/>res);</highlight></codeline>
 <codeline lineno="90"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="91"><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
 <codeline lineno="94" refid="namespacelibmolgrid_1a3317b8b6adaedad592f3d47deaae373e" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;DType, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname)<sp/>{</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"><sp/><sp/>std::ifstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="96"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>file<sp/>&quot;</highlight><highlight class="normal">+fname);</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>read_dx&lt;DType&gt;(f);</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx&lt;DType&gt;</ref>(f);</highlight></codeline>
 <codeline lineno="98"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="99"><highlight class="normal"></highlight></codeline>
 <codeline lineno="100"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
 <codeline lineno="101" refid="namespacelibmolgrid_1a675a477dd7654f29009ae26ae706f39a" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3&gt;</ref>&amp;<sp/>grid)<sp/>{</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/>float3<sp/>center;</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center;</highlight></codeline>
 <codeline lineno="103"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res;</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1a10bb36f3a95760807a6c7006732bc624" kindref="member">read_dx_helper</ref>(in,<sp/>center,<sp/>res);</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/><ref refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" kindref="member">read_dx_helper</ref>(in,<sp/>center,<sp/>res);</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Grid<sp/>incorrect<sp/>size<sp/>in<sp/>read_dx:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
 <codeline lineno="108"><highlight class="normal"></highlight></codeline>
 <codeline lineno="109"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//data<sp/>begins</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="110"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>total<sp/>=<sp/>0;</highlight></codeline>
@@ -264,21 +287,21 @@
 <codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="118"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(total<sp/>!=<sp/>n<sp/>*<sp/>n<sp/>*<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>incorrect<sp/>number<sp/>of<sp/>data<sp/>points<sp/>(&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(total)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(n*n*n));</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(total<sp/>!=<sp/>n<sp/>*<sp/>n<sp/>*<sp/>n)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>dx<sp/>file:<sp/>incorrect<sp/>number<sp/>of<sp/>data<sp/>points<sp/>(&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(total)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(n*n*n));</highlight></codeline>
 <codeline lineno="120"><highlight class="normal"></highlight></codeline>
 <codeline lineno="121"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="122"><highlight class="normal"></highlight></codeline>
-<codeline lineno="124"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
 <codeline lineno="125" refid="namespacelibmolgrid_1af18d9ef15de74734e469e0775ad38031" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3&gt;</ref>&amp;<sp/>grid)<sp/>{</highlight></codeline>
 <codeline lineno="126"><highlight class="normal"><sp/><sp/>std::ifstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="127"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>read<sp/>file<sp/>&quot;</highlight><highlight class="normal">+fname);</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/>read_dx&lt;Dtype&gt;(f,<sp/>grid);</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx&lt;Dtype&gt;</ref>(f,<sp/>grid);</highlight></codeline>
 <codeline lineno="129"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="130"><highlight class="normal"></highlight></codeline>
 <codeline lineno="131"><highlight class="normal"></highlight></codeline>
 <codeline lineno="132"><highlight class="normal"></highlight></codeline>
 <codeline lineno="133"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="134" refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
+<codeline lineno="134" refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
 <codeline lineno="135"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
 <codeline lineno="136"><highlight class="normal"><sp/><sp/>out.precision(5);</highlight></codeline>
 <codeline lineno="137"><highlight class="normal"><sp/><sp/>setprecision(5);</highlight></codeline>
@@ -288,7 +311,7 @@
 <codeline lineno="141"><highlight class="normal"></highlight></codeline>
 <codeline lineno="142"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>figure<sp/>out<sp/>origin<sp/>from<sp/>center<sp/>and<sp/>dim/res</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="143"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>half<sp/>=<sp/>resolution<sp/>*<sp/>(n-1)<sp/>/<sp/>2.0;</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;origin<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.x-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.y-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.z-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;origin<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>-half<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="145"><highlight class="normal"></highlight></codeline>
 <codeline lineno="146"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;delta<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>resolution<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>0<sp/>0\ndelta<sp/>0<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>resolution</highlight></codeline>
 <codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>0\ndelta<sp/>0<sp/>0<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>resolution<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
@@ -312,8 +335,8 @@
 <codeline lineno="165"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="166"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="167"><highlight class="normal"></highlight></codeline>
-<codeline lineno="169"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="170" refid="namespacelibmolgrid_1a96cc920e318698dad01618f1ceb8419f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="170" refid="namespacelibmolgrid_1a96cc920e318698dad01618f1ceb8419f" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
 <codeline lineno="171"><highlight class="normal"><sp/><sp/>std::ofstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="172"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal">+fname);</highlight></codeline>
 <codeline lineno="173"><highlight class="normal"><sp/><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(f,<sp/>grid,<sp/>center,<sp/>resolution,<sp/>scale);</highlight></codeline>
@@ -321,9 +344,9 @@
 <codeline lineno="175"><highlight class="normal"></highlight></codeline>
 <codeline lineno="176"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
 <codeline lineno="177" refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>prefix,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4&gt;</ref>&amp;<sp/>grid,</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
+<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
 <codeline lineno="179"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(names.size()<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Number<sp/>of<sp/>names<sp/>and<sp/>number<sp/>of<sp/>grids<sp/>doesn&apos;t<sp/>match<sp/>in<sp/>write_dx_grids:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(names.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Number<sp/>of<sp/>names<sp/>and<sp/>number<sp/>of<sp/>grids<sp/>doesn&apos;t<sp/>match<sp/>in<sp/>write_dx_grids:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(names.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
 <codeline lineno="181"><highlight class="normal"></highlight></codeline>
 <codeline lineno="182"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>names.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>fname<sp/>=<sp/>prefix+</highlight><highlight class="stringliteral">&quot;_&quot;</highlight><highlight class="normal">+names[i]+</highlight><highlight class="stringliteral">&quot;.dx&quot;</highlight><highlight class="normal">;</highlight></codeline>
@@ -337,23 +360,23 @@
 <codeline lineno="191"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
 <codeline lineno="192" refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>prefix,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4&gt;</ref>&amp;<sp/>grid)<sp/>{</highlight></codeline>
 <codeline lineno="193"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(names.size()<sp/>!=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
-<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Number<sp/>of<sp/>names<sp/>and<sp/>number<sp/>of<sp/>grids<sp/>doesn&apos;t<sp/>match<sp/>in<sp/>read_dx_grids:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(names.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Number<sp/>of<sp/>names<sp/>and<sp/>number<sp/>of<sp/>grids<sp/>doesn&apos;t<sp/>match<sp/>in<sp/>read_dx_grids:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(names.size())+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>!=<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
 <codeline lineno="195"><highlight class="normal"></highlight></codeline>
 <codeline lineno="196"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>names.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">string</highlight><highlight class="normal"><sp/>fname<sp/>=<sp/>prefix+</highlight><highlight class="stringliteral">&quot;_&quot;</highlight><highlight class="normal">+names[i]+</highlight><highlight class="stringliteral">&quot;.dx&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3&gt;</ref><sp/>g<sp/>=<sp/>grid[i];</highlight></codeline>
-<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/>read_dx&lt;Dtype&gt;(fname,<sp/>g);</highlight></codeline>
+<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx&lt;Dtype&gt;</ref>(fname,<sp/>g);</highlight></codeline>
 <codeline lineno="200"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="201"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="202"><highlight class="normal"></highlight></codeline>
-<codeline lineno="204"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="205" refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
+<codeline lineno="204"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="205" refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
 <codeline lineno="206"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>max<sp/>=<sp/>grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
 <codeline lineno="207"><highlight class="normal"><sp/><sp/>out.precision(5);</highlight></codeline>
 <codeline lineno="208"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;GRID_PARAMETER_FILE\nGRID_DATA_FILE\nMACROMOLECULE\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="209"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;SPACING<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>resolution<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="210"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;NELEMENTS<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>max<sp/>-<sp/>1<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>max<sp/>-<sp/>1<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>max<sp/>-<sp/>1<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="211"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;CENTER<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.x<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.y<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.z<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="211"><highlight class="normal"><sp/><sp/>out<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;CENTER<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="212"><highlight class="normal"></highlight></codeline>
 <codeline lineno="213"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//now<sp/>coordinates<sp/>-<sp/>z,y,x</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="214"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>0;<sp/>k<sp/>&lt;<sp/>max;<sp/>k++)<sp/>{</highlight></codeline>
@@ -365,8 +388,8 @@
 <codeline lineno="220"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="221"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="222"><highlight class="normal"></highlight></codeline>
-<codeline lineno="224"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="225" refid="namespacelibmolgrid_1a5f98c4b4e9bc1306dc43643d0f701b23" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
+<codeline lineno="224"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="225" refid="namespacelibmolgrid_1a5f98c4b4e9bc1306dc43643d0f701b23" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;DType, 3&gt;</ref>&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale)<sp/>{</highlight></codeline>
 <codeline lineno="226"><highlight class="normal"><sp/><sp/>std::ofstream<sp/>f(fname.c_str());</highlight></codeline>
 <codeline lineno="227"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!f)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>invalid_argument(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>open<sp/>file<sp/>&quot;</highlight><highlight class="normal">+fname);</highlight></codeline>
 <codeline lineno="228"><highlight class="normal"><sp/><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(f,<sp/>grid,<sp/>center,<sp/>resolution,<sp/>scale);</highlight></codeline>
@@ -374,30 +397,30 @@
 <codeline lineno="230"><highlight class="normal"></highlight></codeline>
 <codeline lineno="231"><highlight class="normal"></highlight></codeline>
 <codeline lineno="232"><highlight class="normal"></highlight></codeline>
-<codeline lineno="233"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>CartesianGrid&lt;ManagedGrid&lt;float,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
-<codeline lineno="234"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>CartesianGrid&lt;ManagedGrid&lt;double,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
-<codeline lineno="235"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>CartesianGrid&lt;ManagedGrid&lt;float,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
-<codeline lineno="236"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>CartesianGrid&lt;ManagedGrid&lt;double,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
+<codeline lineno="233" refid="namespacelibmolgrid_1a68174e079f403c5f2fcb5d42d9f1f24e" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;float, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
+<codeline lineno="234"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;double, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
+<codeline lineno="235" refid="namespacelibmolgrid_1aab230bdbf2374c278d8bf873d6d93b36" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;float, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
+<codeline lineno="236"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;double, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
 <codeline lineno="237"><highlight class="normal"></highlight></codeline>
-<codeline lineno="238"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;float,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="239"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;float,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="240"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;double,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="241"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;double,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="238" refid="namespacelibmolgrid_1aa173a12245873ec1c5b7fd772321602f" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="239" refid="namespacelibmolgrid_1a4c27d0773f858b7eb6dd4155c170e1de" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="240" refid="namespacelibmolgrid_1a10ffd01ad319cd266612063f54f9ff0e" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="241" refid="namespacelibmolgrid_1abe980e3c39b9ecb278e927f511573c7b" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="242"><highlight class="normal"></highlight></codeline>
-<codeline lineno="243"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;float,<sp/>4&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="244"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;double,<sp/>4&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="243" refid="namespacelibmolgrid_1aca010258edc4f5724705fdaf8b75470b" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="244" refid="namespacelibmolgrid_1a1251d77f5747438cb0efcac2206fbd00" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="245"><highlight class="normal"></highlight></codeline>
-<codeline lineno="246"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/>Grid&lt;float,<sp/>4&gt;&amp;);</highlight></codeline>
-<codeline lineno="247"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/>Grid&lt;double,<sp/>4&gt;&amp;);</highlight></codeline>
+<codeline lineno="246" refid="namespacelibmolgrid_1a15e2acb8554afd62b3896b4f7a26d8f5" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4&gt;</ref>&amp;);</highlight></codeline>
+<codeline lineno="247" refid="namespacelibmolgrid_1a173dc636254c2444a42601f348d2065c" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4&gt;</ref>&amp;);</highlight></codeline>
 <codeline lineno="248"><highlight class="normal"></highlight></codeline>
-<codeline lineno="249"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;float,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="250"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;float,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="251"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;double,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="252"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;double,<sp/>3&gt;&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="249" refid="namespacelibmolgrid_1acae94cad89cafd80a57791f782c21b53" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="250" refid="namespacelibmolgrid_1aff97d71d9c79c7f136a2c1331d7dd326" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="251" refid="namespacelibmolgrid_1a60ebd53fb6cc6141a25293a10d7ca4d9" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="252" refid="namespacelibmolgrid_1ac5e359ddb466dcefe5d836a6b5f11793" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 3&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="253"><highlight class="normal"></highlight></codeline>
 <codeline lineno="254"><highlight class="normal"></highlight></codeline>
 <codeline lineno="255"><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__io_8h.xml b/docs/cpp/xml/grid__io_8h.xml
index e01283c3..92dc3750 100644
--- a/docs/cpp/xml/grid__io_8h.xml
+++ b/docs/cpp/xml/grid__io_8h.xml
@@ -1,19 +1,36 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__io_8h" kind="file" language="C++">
     <compoundname>grid_io.h</compoundname>
     <includes refid="cartesian__grid_8h" local="yes">libmolgrid/cartesian_grid.h</includes>
     <includes local="no">iostream</includes>
     <includedby refid="grid__io_8cpp" local="yes">grid_io.cpp</includedby>
     <incdepgraph>
-      <node id="7">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="17">
-        <label>cuda_runtime.h</label>
+      <node id="2">
+        <label>libmolgrid/cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
       </node>
-      <node id="8">
-        <label>cassert</label>
+      <node id="12">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
       </node>
       <node id="4">
         <label>libmolgrid/grid.h</label>
@@ -30,7 +47,11 @@
         </childnode>
         <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
       <node id="1">
@@ -41,94 +62,96 @@
         <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>libmolgrid/cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="4" relation="include">
-        </childnode>
-        <childnode refid="18" relation="include">
-        </childnode>
-      </node>
       <node id="16">
-        <label>random</label>
-      </node>
-      <node id="19">
-        <label>utility</label>
-      </node>
-      <node id="10">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="11" relation="include">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>iostream</label>
-      </node>
-      <node id="14">
-        <label>cuda.h</label>
-      </node>
-      <node id="13">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="6">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
       <node id="18">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="11" relation="include">
-        </childnode>
         <childnode refid="19" relation="include">
         </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
         <childnode refid="7" relation="include">
         </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
         <childnode refid="4" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>type_traits</label>
+      <node id="7">
+        <label>boost/lexical_cast.hpp</label>
       </node>
       <node id="5">
         <label>boost/multi_array.hpp</label>
       </node>
-      <node id="15">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="16" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
+      <node id="6">
+        <label>boost/preprocessor/repetition.hpp</label>
       </node>
-      <node id="12">
+      <node id="22">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="21">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="8">
+        <label>cassert</label>
+      </node>
+      <node id="19">
+        <label>cstdlib</label>
+      </node>
+      <node id="10">
         <label>cstring</label>
       </node>
-      <node id="11">
+      <node id="9">
+        <label>iostream</label>
+      </node>
+      <node id="15">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="13">
         <label>memory</label>
       </node>
+      <node id="17">
+        <label>random</label>
+      </node>
+      <node id="11">
+        <label>stdexcept</label>
+      </node>
+      <node id="14">
+        <label>string</label>
+      </node>
+      <node id="3">
+        <label>type_traits</label>
+      </node>
+      <node id="20">
+        <label>utility</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="2">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
-      </node>
       <node id="1">
         <label>grid_io.h</label>
         <link refid="grid__io_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
       </node>
+      <node id="2">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+      </node>
     </invincdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -137,8 +160,9 @@
 <para>Input/output routines for 3D grids. </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="6"><highlight class="preprocessor">#ifndef<sp/>GRID_IO_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="5"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>GRID_IO_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>GRID_IO_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight></codeline>
@@ -150,46 +174,46 @@
 <codeline lineno="15"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_read_dx</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="comment">/*<sp/>\brief<sp/>Read<sp/>in<sp/>dx<sp/>formatted<sp/>grid<sp/>and<sp/>return<sp/>initialized<sp/>grid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="18"><highlight class="normal">CartesianGrid&lt;ManagedGrid&lt;DType,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;DType, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in);</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="20"><highlight class="normal">CartesianGrid&lt;ManagedGrid&lt;DType,<sp/>3&gt;<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid&lt;ManagedGrid&lt;DType, 3&gt;</ref><sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname);</highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in,<sp/>Grid&lt;Dtype,<sp/>3&gt;&amp;<sp/>grid);</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(std::istream&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3&gt;</ref>&amp;<sp/>grid);</highlight></codeline>
 <codeline lineno="25"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/>Grid&lt;Dtype,<sp/>3&gt;&amp;<sp/>grid);</highlight></codeline>
+<codeline lineno="26"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" kindref="member">read_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3&gt;</ref>&amp;<sp/>grid);</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"></highlight></codeline>
-<codeline lineno="29"><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>G&gt;</highlight></codeline>
-<codeline lineno="30" refid="namespacelibmolgrid_1aa1f03ee53c2b76327813c46eea4de9da" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1aa1f03ee53c2b76327813c46eea4de9da" kindref="member">read_bin</ref>(std::istream&amp;<sp/>in,<sp/>G&amp;<sp/>grid)<sp/>{</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>G&gt;</highlight></codeline>
+<codeline lineno="30" refid="namespacelibmolgrid_1a49aa9e6b6d6a6f644974047063ba930d" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a49aa9e6b6d6a6f644974047063ba930d" kindref="member">read_bin</ref>(std::istream&amp;<sp/>in,<sp/>G&amp;<sp/>grid)<sp/>{</highlight></codeline>
 <codeline lineno="31"><highlight class="normal"><sp/><sp/><sp/><sp/>in.read((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)grid.data(),<sp/>grid.size()<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>G::type));</highlight></codeline>
 <codeline lineno="32"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="33"><highlight class="normal"></highlight></codeline>
 <codeline lineno="34"><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal"></highlight><highlight class="comment">//output<sp/>routines</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="37"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_dx</highlight></codeline>
-<codeline lineno="41"><highlight class="comment"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_dx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="42"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="44"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" kindref="member">write_dx</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
 <codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="46"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_dx_grids</highlight></codeline>
-<codeline lineno="56"><highlight class="comment"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>prefix,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;Dtype,<sp/>4&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_dx_grids</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="56"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" kindref="member">write_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>prefix,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;Dtype,<sp/>4&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
 <codeline lineno="58"><highlight class="normal"></highlight></codeline>
-<codeline lineno="59"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_read_dx_grids</highlight></codeline>
-<codeline lineno="66"><highlight class="comment"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_read_dx_grids</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
 <codeline lineno="67"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" kindref="member">read_dx_grids</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>prefix,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;std::string&gt;&amp;<sp/>names,<sp/>Grid&lt;Dtype,<sp/>4&gt;&amp;<sp/>grid);</highlight></codeline>
 <codeline lineno="68"><highlight class="normal"></highlight></codeline>
-<codeline lineno="69"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_map</highlight></codeline>
-<codeline lineno="71"><highlight class="comment"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_write_map</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="71"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>DType&gt;</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" kindref="member">write_map</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>fname,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid&lt;DType,<sp/>3&gt;&amp;<sp/>grid,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>resolution,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>scale=1.0);</highlight></codeline>
 <codeline lineno="75"><highlight class="normal"></highlight></codeline>
 <codeline lineno="76"><highlight class="normal"></highlight><highlight class="comment">//dump<sp/>raw<sp/>data<sp/>in<sp/>binary</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="77"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>G&gt;</highlight></codeline>
-<codeline lineno="78" refid="namespacelibmolgrid_1a618d0b859add1c20d24e684604c09b6e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a618d0b859add1c20d24e684604c09b6e" kindref="member">write_bin</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/>grid)<sp/>{</highlight></codeline>
+<codeline lineno="78" refid="namespacelibmolgrid_1a122aa7de6efcda1ced336a87a71804dc" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a122aa7de6efcda1ced336a87a71804dc" kindref="member">write_bin</ref>(std::ostream&amp;<sp/>out,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>G&amp;<sp/>grid)<sp/>{</highlight></codeline>
 <codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/>out.write((</highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*)grid.data(),<sp/>grid.size()<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>G::type));</highlight></codeline>
 <codeline lineno="80"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="81"><highlight class="normal"></highlight></codeline>
@@ -199,6 +223,6 @@
 <codeline lineno="85"><highlight class="normal"></highlight></codeline>
 <codeline lineno="86"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>GRID_IO_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__maker_8cpp.xml b/docs/cpp/xml/grid__maker_8cpp.xml
index fc030532..6528edc2 100644
--- a/docs/cpp/xml/grid__maker_8cpp.xml
+++ b/docs/cpp/xml/grid__maker_8cpp.xml
@@ -1,78 +1,76 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__maker_8cpp" kind="file" language="C++">
     <compoundname>grid_maker.cpp</compoundname>
     <includes refid="grid__maker_8h" local="yes">libmolgrid/grid_maker.h</includes>
     <includes local="no">cmath</includes>
     <includes local="no">vector</includes>
     <includes local="no">iomanip</includes>
+    <includes local="no">algorithm</includes>
     <incdepgraph>
-      <node id="30">
-        <label>iomanip</label>
-      </node>
-      <node id="24">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="3" relation="include">
+      <node id="6">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
         </childnode>
-      </node>
-      <node id="12">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="6">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="29">
-        <label>cmath</label>
-      </node>
-      <node id="16">
-        <label>cassert</label>
-      </node>
-      <node id="27">
-        <label>stdexcept</label>
       </node>
       <node id="13">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
         <childnode refid="14" relation="include">
         </childnode>
         <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
         <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="18" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
-      <node id="8">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="1">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-        <childnode refid="2" relation="include">
+      <node id="30">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
         <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="30" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
-      <node id="25">
-        <label>unordered_set</label>
-      </node>
-      <node id="23">
-        <label>random</label>
+      <node id="22">
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
       </node>
       <node id="2">
         <label>libmolgrid/grid_maker.h</label>
@@ -85,116 +83,158 @@
         </childnode>
         <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
         <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="30" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>vector</label>
-      </node>
-      <node id="11">
-        <label>utility</label>
-      </node>
-      <node id="4">
-        <label>array</label>
-      </node>
-      <node id="18">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+      <node id="26">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="27" relation="include">
+        </childnode>
         <childnode refid="10" relation="include">
         </childnode>
         <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="17">
-        <label>iostream</label>
-      </node>
-      <node id="26">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="23" relation="include">
+      <node id="16">
+        <label>libmolgrid/managed_grid.h</label>
+        <link refid="managed__grid_8h"/>
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="28" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="21">
-        <label>cuda.h</label>
-      </node>
-      <node id="20">
-        <label>cuda_runtime_api.h</label>
+      <node id="32">
+        <label>libmolgrid/quaternion.h</label>
+        <link refid="quaternion_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
       </node>
-      <node id="15">
-        <label>boost/preprocessor/repetition.hpp</label>
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
       </node>
-      <node id="9">
-        <label>libmolgrid/managed_grid.h</label>
-        <link refid="managed__grid_8h"/>
-        <childnode refid="10" relation="include">
+      <node id="31">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="32" relation="include">
         </childnode>
-      </node>
-      <node id="14">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="28">
-        <label>libmolgrid/quaternion.h</label>
-        <link refid="quaternion_8h"/>
-        <childnode refid="6" relation="include">
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="30" relation="include">
         </childnode>
       </node>
-      <node id="22">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="23" relation="include">
+      <node id="1">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="33" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="34" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
       <node id="5">
         <label>algorithm</label>
       </node>
+      <node id="4">
+        <label>array</label>
+      </node>
       <node id="19">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="23">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="24">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="15">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="21">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="25">
+        <label>cassert</label>
+      </node>
+      <node id="33">
+        <label>cmath</label>
+      </node>
+      <node id="17">
+        <label>cstdlib</label>
+      </node>
+      <node id="8">
         <label>cstring</label>
       </node>
-      <node id="7">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
-        </childnode>
+      <node id="34">
+        <label>iomanip</label>
       </node>
       <node id="10">
+        <label>iostream</label>
+      </node>
+      <node id="12">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="7">
         <label>memory</label>
       </node>
+      <node id="14">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="27">
+        <label>random</label>
+      </node>
+      <node id="9">
+        <label>stdexcept</label>
+      </node>
+      <node id="11">
+        <label>string</label>
+      </node>
+      <node id="29">
+        <label>unordered_set</label>
+      </node>
+      <node id="18">
+        <label>utility</label>
+      </node>
+      <node id="3">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -212,710 +252,831 @@
 <codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cmath&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iomanip&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;algorithm&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
-<codeline lineno="15" refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" kindref="member">GridMaker::initialize</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>bin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rscale,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grm)<sp/>{</highlight></codeline>
-<codeline lineno="16"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref><sp/>=<sp/>res;</highlight></codeline>
-<codeline lineno="17"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>=<sp/>d;</highlight></codeline>
-<codeline lineno="18"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>=<sp/>rscale;</highlight></codeline>
-<codeline lineno="19"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>=<sp/>grm;</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>&lt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="21"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//try<sp/>to<sp/>interpret<sp/>this<sp/>is<sp/>requesting<sp/>a<sp/>truncated<sp/>gradient<sp/>-<sp/>no<sp/>quadratic<sp/>term</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="22"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>*=<sp/>-1;</highlight></codeline>
-<codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="24"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref><sp/>=<sp/>(1+2*grm*grm)/(2*grm);</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
-<codeline lineno="28"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref><sp/>=<sp/>bin;</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"></highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref><sp/>=<sp/>exp(-2*grm*grm)*4*grm*grm;<sp/></highlight><highlight class="comment">//<sp/>*d^2/r^2</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="31"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref><sp/>=<sp/>-exp(-2*grm*grm)*(4*grm+8*grm*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>d/r</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref><sp/>=<sp/>exp(-2*grm*grm)*(4*grm*grm*grm*grm+4*grm*grm+1);<sp/></highlight><highlight class="comment">//constant</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="33"><highlight class="normal"></highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref><sp/>=<sp/>8*grm*grm*exp(-2.0*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>d/r^2</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>=<sp/>-<sp/>(<sp/>4*grm<sp/>+<sp/>8*grm*grm*grm)<sp/>*<sp/>exp(-2*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>1/r</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="36"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="37"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"></highlight><highlight class="comment">//validate<sp/>argument<sp/>ranges</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="39"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="40" refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="43"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="46"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
-<codeline lineno="47"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;type_index<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(N));</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(N));</highlight></codeline>
-<codeline lineno="52"><highlight class="normal"></highlight></codeline>
-<codeline lineno="53"><highlight class="normal"></highlight></codeline>
-<codeline lineno="54"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="55"><highlight class="normal"></highlight></codeline>
-<codeline lineno="56"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="58"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"></highlight></codeline>
-<codeline lineno="65"><highlight class="normal"></highlight></codeline>
-<codeline lineno="66"><highlight class="normal"></highlight><highlight class="comment">//validate<sp/>argument<sp/>ranges</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="67"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="68" refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="71"><highlight class="normal"></highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>T<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>!LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Helper<sp/>used<sp/>by<sp/>calc_point<sp/>specializations</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="17" refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" refkind="member"><highlight class="normal"></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" kindref="member">sqDistance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z)<sp/>{</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="19"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>tmp<sp/>=<sp/>pt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>-<sp/>x;<sp/>ret<sp/><sp/>=<sp/>tmp<sp/>*<sp/>tmp;</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/>tmp<sp/>=<sp/>pt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>-<sp/>y;<sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>tmp<sp/>*<sp/>tmp;</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"><sp/><sp/>tmp<sp/>=<sp/>pt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>-<sp/>z;<sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>tmp<sp/>*<sp/>tmp;</highlight></codeline>
+<codeline lineno="22"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="23"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight></codeline>
+<codeline lineno="25"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Explicit<sp/>specializations<sp/>must<sp/>appear<sp/>before<sp/>any<sp/>implicit<sp/>instantiation.</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="26"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;&gt;</highlight></codeline>
+<codeline lineno="27" refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">GridMaker::calc_point&lt;false&gt;</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar,</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_coords)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rsq<sp/>=<sp/><ref refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" kindref="member">sqDistance</ref>(grid_coords,<sp/>ax,<sp/>ay,<sp/>az);</highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/>ar<sp/>*=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
+<codeline lineno="31"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist<sp/>=<sp/>sqrtf(rsq);</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>ar<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0.0f;</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&lt;=<sp/>ar<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ex<sp/>=<sp/>-2.0f<sp/>*<sp/>dist<sp/>*<sp/>dist<sp/>/<sp/>(ar<sp/>*<sp/>ar);</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>expf(ex);</highlight></codeline>
+<codeline lineno="36"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dr<sp/>=<sp/>dist<sp/>/<sp/>ar;</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>q<sp/>=<sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>)<sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>;</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>q<sp/>&gt;<sp/>0<sp/>?<sp/>q<sp/>:<sp/>0;</highlight></codeline>
+<codeline lineno="40"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight></codeline>
+<codeline lineno="42"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;&gt;</highlight></codeline>
+<codeline lineno="43" refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">GridMaker::calc_point&lt;true&gt;</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar,</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_coords)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="45"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rsq<sp/>=<sp/><ref refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" kindref="member">sqDistance</ref>(grid_coords,<sp/>ax,<sp/>ay,<sp/>az);</highlight></codeline>
+<codeline lineno="46"><highlight class="normal"><sp/><sp/>ar<sp/>*=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>(rsq<sp/>&lt;<sp/>ar<sp/>*<sp/>ar)<sp/>?<sp/>1.0f<sp/>:<sp/>0.0f;</highlight></codeline>
+<codeline lineno="48"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="50"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51"><highlight class="normal"></highlight></codeline>
+<codeline lineno="52" refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" kindref="member">GridMaker::initialize</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>bin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rscale,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grm)<sp/>{</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref><sp/>=<sp/>res;</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>=<sp/>d;</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>=<sp/>rscale;</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>=<sp/>grm;</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>&lt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//try<sp/>to<sp/>interpret<sp/>this<sp/>is<sp/>requesting<sp/>a<sp/>truncated<sp/>gradient<sp/>-<sp/>no<sp/>quadratic<sp/>term</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref><sp/>*=<sp/>-1;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref><sp/>=<sp/>(1+2*grm*grm)/(2*grm);</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="64"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>=<sp/>std::round(<ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>/<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>)<sp/>+<sp/>1;</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref><sp/>=<sp/>bin;</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref><sp/>=<sp/>exp(-2*grm*grm)*4*grm*grm;<sp/></highlight><highlight class="comment">//<sp/>*d^2/r^2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref><sp/>=<sp/>-exp(-2*grm*grm)*(4*grm+8*grm*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>d/r</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="69"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref><sp/>=<sp/>exp(-2*grm*grm)*(4*grm*grm*grm*grm+4*grm*grm+1);<sp/></highlight><highlight class="comment">//constant</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="70"><highlight class="normal"></highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref><sp/>=<sp/>8*grm*grm*exp(-2.0*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>d/r^2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>=<sp/>-<sp/>(<sp/>4*grm<sp/>+<sp/>8*grm*grm*grm)<sp/>*<sp/>exp(-2*grm*grm);<sp/></highlight><highlight class="comment">//<sp/>*<sp/>1/r</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="73"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="74"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
-<codeline lineno="78"><highlight class="normal"></highlight></codeline>
-<codeline lineno="79"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>N)</highlight></codeline>
-<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;type_vector<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(N));</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(T<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;number<sp/>of<sp/>types<sp/>in<sp/>type_vector<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>output<sp/>channels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(T)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
-<codeline lineno="83"><highlight class="normal"></highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>T)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>types:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(T));</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(N));</highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="89"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"></highlight><highlight class="comment">//validate<sp/>argument<sp/>ranges</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="76"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="77" refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"></highlight></codeline>
+<codeline lineno="81"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"></highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"></highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;type_index<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(N));</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(N));</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"></highlight></codeline>
 <codeline lineno="90"><highlight class="normal"></highlight></codeline>
-<codeline lineno="91"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="93"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"></highlight></codeline>
-<codeline lineno="100" refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" refkind="member"><highlight class="normal">float3<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">GridMaker::get_grid_origin</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_center)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>half<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>/<sp/>2.0;</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin;</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"><sp/><sp/>grid_origin.x<sp/>=<sp/>grid_center.x<sp/>-<sp/>half;</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/>grid_origin.y<sp/>=<sp/>grid_center.y<sp/>-<sp/>half;</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/>grid_origin.z<sp/>=<sp/>grid_center.z<sp/>-<sp/>half;</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_origin;</highlight></codeline>
-<codeline lineno="107"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="91"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"></highlight></codeline>
+<codeline lineno="93"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">GridMaker::check_index_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102"><highlight class="normal"></highlight></codeline>
+<codeline lineno="103"><highlight class="normal"></highlight><highlight class="comment">//validate<sp/>argument<sp/>ranges</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="104"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="105" refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="108"><highlight class="normal"></highlight></codeline>
-<codeline lineno="109"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="110" refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>c<sp/>=<sp/>in.<ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>();<sp/></highlight><highlight class="comment">//<sp/>!important<sp/>-<sp/>this<sp/>copies<sp/>the<sp/>underlying<sp/>coordinates<sp/>so<sp/>we<sp/>can<sp/>safely<sp/>mogrify<sp/>them</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>channels<sp/>in<sp/>output<sp/>grid:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" kindref="member">togpu</ref>();<sp/></highlight><highlight class="comment">//this<sp/>will<sp/>enable<sp/>tranformation<sp/>on<sp/>the<sp/>gpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="114"><highlight class="normal"><sp/><sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" kindref="member">forward</ref>(c,c);</highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>(),<sp/>c,<sp/>out);</highlight></codeline>
-<codeline lineno="116"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"></highlight></codeline>
-<codeline lineno="118"><highlight class="normal"></highlight><highlight class="comment">//not<sp/>sure<sp/>why<sp/>these<sp/>have<sp/>to<sp/>be<sp/>instantiated<sp/>given<sp/>the<sp/>next<sp/>function<sp/>must<sp/>implicitly<sp/>instantiate<sp/>them</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="119"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="123"><highlight class="normal"></highlight></codeline>
-<codeline lineno="124"><highlight class="normal"></highlight></codeline>
-<codeline lineno="125"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
-<codeline lineno="126" refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="128"><highlight class="normal"><sp/><sp/>float3<sp/>c<sp/>=<sp/>center;</highlight></codeline>
-<codeline lineno="129"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(std::isinf(c.x))<sp/>{</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()-1;<sp/>i<sp/>&gt;=<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
-<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//last<sp/>non-empty<sp/>coordinate<sp/>set</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c<sp/>=<sp/>float3{0,0,0};</highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].size())<sp/>{</highlight></codeline>
-<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c<sp/>=<sp/>in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.back().center();</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(c,<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
-<codeline lineno="141"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"></highlight></codeline>
-<codeline lineno="143"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="145"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="151"><highlight class="normal"></highlight></codeline>
-<codeline lineno="152"><highlight class="normal"></highlight></codeline>
-<codeline lineno="153"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="154" refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="157"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//zero<sp/>grid<sp/>first</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="158"><highlight class="normal"><sp/><sp/>std::fill(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>+<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>0.0);</highlight></codeline>
-<codeline lineno="159"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">check_index_args</ref>(coords,<sp/>type_index,<sp/>radii,<sp/>out);</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>indexed<sp/>radii<sp/>not<sp/>supported<sp/>with<sp/>index<sp/>types.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="163"><highlight class="normal"></highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/>int64_t<sp/>ntypes<sp/>=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/>Dtype<sp/>*data<sp/>=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>();</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"></highlight></codeline>
-<codeline lineno="169"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="170"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>natoms;<sp/>++aidx)<sp/>{</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/>int64_t<sp/>atype<sp/>=<sp/>floor(type_index(aidx));<sp/></highlight><highlight class="comment">//can<sp/>be<sp/>negative<sp/>to<sp/>indicate<sp/>untyped,<sp/>ignored<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(atype<sp/>&gt;=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Type<sp/>index<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(atype)+</highlight><highlight class="stringliteral">&quot;<sp/>larger<sp/>than<sp/>allowed<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(ntypes));</highlight></codeline>
-<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(atype<sp/>&gt;=<sp/>0<sp/>&amp;&amp;<sp/>atype<sp/>&lt;<sp/>ntypes)<sp/>{</highlight></codeline>
-<codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>acoords;</highlight></codeline>
-<codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.x<sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
-<codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.y<sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.z<sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
-<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"></highlight></codeline>
-<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>uint2<sp/>bounds[3];</highlight></codeline>
-<codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>acoords.x,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>acoords.y,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="184"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>acoords.z,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="185"><highlight class="normal"></highlight></codeline>
-<codeline lineno="186"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
-<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
-<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>grid_coords;</highlight></codeline>
-<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="194"><highlight class="normal"></highlight></codeline>
-<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((atype<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
-<codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>calc_point&lt;true&gt;(acoords.x,<sp/>acoords.y,<sp/>acoords.z,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
-<codeline lineno="198"><highlight class="normal"></highlight></codeline>
-<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>!=<sp/>0)</highlight></codeline>
-<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(data<sp/>+<sp/>offset)<sp/>=<sp/>1.0;</highlight></codeline>
-<codeline lineno="201"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="203"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>calc_point&lt;false&gt;(acoords.x,<sp/>acoords.y,<sp/>acoords.z,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
-<codeline lineno="204"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(data<sp/>+<sp/>offset)<sp/>+=<sp/>val;</highlight></codeline>
-<codeline lineno="205"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="206"><highlight class="normal"></highlight></codeline>
-<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="211"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="212"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="213"><highlight class="normal"></highlight></codeline>
-<codeline lineno="214"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="215" refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="218"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//zero<sp/>grid<sp/>first</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="219"><highlight class="normal"><sp/><sp/>std::fill(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>+<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>0.0);</highlight></codeline>
-<codeline lineno="220"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">check_vector_args</ref>(coords,<sp/>type_vector,<sp/>radii,<sp/>out);</highlight></codeline>
-<codeline lineno="221"><highlight class="normal"></highlight></codeline>
-<codeline lineno="222"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
-<codeline lineno="223"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="224"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
-<codeline lineno="225"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="226"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>natoms;<sp/>++aidx)<sp/>{</highlight></codeline>
-<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>tidx<sp/>=<sp/>0;<sp/>tidx<sp/>&lt;<sp/>ntypes;<sp/>tidx++)<sp/>{</highlight></codeline>
-<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>tmult<sp/>=<sp/>type_vector(aidx,<sp/>tidx);<sp/></highlight><highlight class="comment">//amount<sp/>of<sp/>type<sp/>for<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="229"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="230"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>acoords;</highlight></codeline>
-<codeline lineno="231"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.x<sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
-<codeline lineno="232"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.y<sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
-<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.z<sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
-<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>radius<sp/>=<sp/>radii(tidx);</highlight></codeline>
-<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
-<codeline lineno="237"><highlight class="normal"></highlight></codeline>
-<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="239"><highlight class="normal"></highlight></codeline>
-<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>uint2<sp/>bounds[3];</highlight></codeline>
-<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>acoords.x,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>acoords.y,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="243"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>acoords.z,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="244"><highlight class="normal"></highlight></codeline>
-<codeline lineno="245"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="247"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
-<codeline lineno="248"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
-<codeline lineno="249"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>grid_coords;</highlight></codeline>
-<codeline lineno="250"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="251"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="252"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="253"><highlight class="normal"></highlight></codeline>
-<codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((tidx<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
-<codeline lineno="255"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="256"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>calc_point&lt;true&gt;(acoords.x,<sp/>acoords.y,<sp/>acoords.z,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
-<codeline lineno="257"><highlight class="normal"></highlight></codeline>
-<codeline lineno="258"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>!=<sp/>0)</highlight></codeline>
-<codeline lineno="259"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>tmult;<sp/></highlight><highlight class="comment">//not<sp/>quite<sp/>binary</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="260"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="261"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="262"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>calc_point&lt;false&gt;(acoords.x,<sp/>acoords.y,<sp/>acoords.z,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
-<codeline lineno="263"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>val*tmult;</highlight></codeline>
-<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="268"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tmult<sp/>!=<sp/>0</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="269"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tidx</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="270"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="comment">//aidx</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="271"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="272"><highlight class="normal"></highlight></codeline>
-<codeline lineno="273"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
-<codeline lineno="274"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="275"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="276"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="277"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="278"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="279"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="280"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
-<codeline lineno="281"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="282"><highlight class="normal"></highlight></codeline>
-<codeline lineno="283"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,</highlight></codeline>
-<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="285"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="288"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight></codeline>
-<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="293"><highlight class="normal"></highlight></codeline>
-<codeline lineno="294"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="297"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="300"><highlight class="normal"></highlight></codeline>
-<codeline lineno="301"><highlight class="normal"></highlight><highlight class="comment">//batched<sp/>cpu<sp/>float</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="302"><highlight class="normal"></highlight></codeline>
-<codeline lineno="303"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>GridMaker::forward&lt;float,2,false&gt;(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
-<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
-<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="307"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>GridMaker::forward&lt;float,3,false&gt;(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
-<codeline lineno="308"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
-<codeline lineno="309"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
-<codeline lineno="310"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="311"><highlight class="normal"></highlight></codeline>
-<codeline lineno="312"><highlight class="normal"></highlight><highlight class="comment">//batched<sp/>cpu<sp/>double</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="313"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>GridMaker::forward&lt;double,2,false&gt;(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
-<codeline lineno="315"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
-<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="317"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>GridMaker::forward&lt;double,3,false&gt;(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
-<codeline lineno="319"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
-<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="321"><highlight class="normal"></highlight></codeline>
-<codeline lineno="322"><highlight class="normal"></highlight></codeline>
-<codeline lineno="323"><highlight class="normal"></highlight></codeline>
-<codeline lineno="324"><highlight class="normal"></highlight><highlight class="comment">//set<sp/>a<sp/>single<sp/>atom<sp/>gradient<sp/>-<sp/>note<sp/>can&apos;t<sp/>pass<sp/>a<sp/>slice<sp/>by<sp/>reference</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="325"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="326" refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" refkind="member"><highlight class="normal">float3<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">GridMaker::calc_atom_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coordr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="327"><highlight class="normal"></highlight></codeline>
-<codeline lineno="328"><highlight class="normal"><sp/><sp/>float3<sp/>agrad{0,0,0};</highlight></codeline>
-<codeline lineno="329"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="330"><highlight class="normal"><sp/><sp/>float3<sp/>a{coordr(0),coordr(1),coordr(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="331"><highlight class="normal"></highlight></codeline>
-<codeline lineno="332"><highlight class="normal"><sp/><sp/>uint2<sp/>ranges[3];</highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>a.x,<sp/>r);</highlight></codeline>
-<codeline lineno="334"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>a.y,<sp/>r);</highlight></codeline>
-<codeline lineno="335"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>a.z,<sp/>r);</highlight></codeline>
-<codeline lineno="336"><highlight class="normal"></highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>T<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"></highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)));</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(2)));</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Output<sp/>grid<sp/>dimension<sp/>incorrect:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(3)));</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"></highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/>N)</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;type_vector<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(N));</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(T<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;number<sp/>of<sp/>types<sp/>in<sp/>type_vector<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>output<sp/>channels:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(T)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"></highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>T)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>types:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(T));</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>!=<sp/>N)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;radii<sp/>does<sp/>not<sp/>match<sp/>number<sp/>of<sp/>atoms:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(N));</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="126"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"></highlight></codeline>
+<codeline lineno="128"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">GridMaker::check_vector_args</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vec,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="136"><highlight class="normal"></highlight></codeline>
+<codeline lineno="137" refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" refkind="member"><highlight class="normal"><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">GridMaker::get_grid_origin</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_center)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>half<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>/<sp/>2.0;</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin;</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>grid_center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>-<sp/>half;</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>grid_center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>-<sp/>half;</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>grid_center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>-<sp/>half;</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>grid_origin;</highlight></codeline>
+<codeline lineno="144"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"></highlight></codeline>
+<codeline lineno="146"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="147" refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref><sp/>c<sp/>=<sp/>in.<ref refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" kindref="member">merge_coordinates</ref>();<sp/></highlight><highlight class="comment">//<sp/>!important<sp/>-<sp/>this<sp/>copies<sp/>the<sp/>underlying<sp/>coordinates<sp/>so<sp/>we<sp/>can<sp/>safely<sp/>mogrify<sp/>them</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref><sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>number<sp/>of<sp/>channels<sp/>in<sp/>output<sp/>grid:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" kindref="member">max_type</ref>)<sp/>+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)<sp/>c.<ref refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" kindref="member">togpu</ref>();<sp/></highlight><highlight class="comment">//this<sp/>will<sp/>enable<sp/>tranformation<sp/>on<sp/>the<sp/>gpu</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/>transform.<ref refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" kindref="member">forward</ref>(c,c);</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(transform.<ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>(),<sp/>c,<sp/>out);</highlight></codeline>
+<codeline lineno="153"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"></highlight></codeline>
+<codeline lineno="155"><highlight class="normal"></highlight><highlight class="comment">//not<sp/>sure<sp/>why<sp/>these<sp/>have<sp/>to<sp/>be<sp/>instantiated<sp/>given<sp/>the<sp/>next<sp/>function<sp/>must<sp/>implicitly<sp/>instantiate<sp/>them</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="156"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref>&amp;<sp/>transform,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"></highlight></codeline>
+<codeline lineno="161"><highlight class="normal"></highlight></codeline>
+<codeline lineno="162"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
+<codeline lineno="163" refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>c<sp/>=<sp/>center;</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(std::isinf(c.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>))<sp/>{</highlight></codeline>
+<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal">)in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.size()-1;<sp/>i<sp/>&gt;=<sp/>0;<sp/>i--)<sp/>{</highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//last<sp/>non-empty<sp/>coordinate<sp/>set</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c<sp/>=<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{0,0,0};</highlight></codeline>
+<codeline lineno="170"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>[i].size())<sp/>{</highlight></codeline>
+<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>c<sp/>=<sp/>in.<ref refid="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" kindref="member">sets</ref>.back().center();</highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">break</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="175"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="176"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>t(c,<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(in,<sp/>t,<sp/>out);</highlight></codeline>
+<codeline lineno="178"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"></highlight></codeline>
+<codeline lineno="180"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="182"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="184"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="186"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="188"><highlight class="normal"></highlight></codeline>
+<codeline lineno="189"><highlight class="normal"></highlight></codeline>
+<codeline lineno="190"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="191" refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//zero<sp/>grid<sp/>first</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="195"><highlight class="normal"><sp/><sp/>std::fill(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>+<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>0.0);</highlight></codeline>
+<codeline lineno="196"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" kindref="member">check_index_args</ref>(coords,<sp/>type_index,<sp/>radii,<sp/>out);</highlight></codeline>
+<codeline lineno="197"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>indexed<sp/>radii<sp/>not<sp/>supported<sp/>with<sp/>index<sp/>types.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="199"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="200"><highlight class="normal"></highlight></codeline>
+<codeline lineno="201"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="202"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="203"><highlight class="normal"><sp/><sp/>int64_t<sp/>ntypes<sp/>=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="204"><highlight class="normal"><sp/><sp/>Dtype<sp/>*data<sp/>=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>();</highlight></codeline>
+<codeline lineno="205"><highlight class="normal"></highlight></codeline>
+<codeline lineno="206"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="207"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>natoms;<sp/>++aidx)<sp/>{</highlight></codeline>
+<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/>int64_t<sp/>atype<sp/>=<sp/>floor(type_index(aidx));<sp/></highlight><highlight class="comment">//can<sp/>be<sp/>negative<sp/>to<sp/>indicate<sp/>untyped,<sp/>ignored<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(atype<sp/>&gt;=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Type<sp/>index<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(atype)+</highlight><highlight class="stringliteral">&quot;<sp/>larger<sp/>than<sp/>allowed<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(ntypes));</highlight></codeline>
+<codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(atype<sp/>&gt;=<sp/>0<sp/>&amp;&amp;<sp/>atype<sp/>&lt;<sp/>ntypes)<sp/>{</highlight></codeline>
+<codeline lineno="211"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>acoords;</highlight></codeline>
+<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
+<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
+<codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
+<codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
+<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="217"><highlight class="normal"></highlight></codeline>
+<codeline lineno="218"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>bounds[3];</highlight></codeline>
+<codeline lineno="219"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="220"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="222"><highlight class="normal"></highlight></codeline>
+<codeline lineno="223"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="224"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
+<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
+<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_coords;</highlight></codeline>
+<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="229"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="230"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="231"><highlight class="normal"></highlight></codeline>
+<codeline lineno="232"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((atype<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
+<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;true&gt;</ref>(acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
+<codeline lineno="235"><highlight class="normal"></highlight></codeline>
+<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>!=<sp/>0)</highlight></codeline>
+<codeline lineno="237"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(data<sp/>+<sp/>offset)<sp/>=<sp/>1.0;</highlight></codeline>
+<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="239"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;false&gt;</ref>(acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
+<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(data<sp/>+<sp/>offset)<sp/>+=<sp/>val;</highlight></codeline>
+<codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="243"><highlight class="normal"></highlight></codeline>
+<codeline lineno="244"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="245"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="247"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="248"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="249"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="250"><highlight class="normal"></highlight></codeline>
+<codeline lineno="251"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="252" refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="253"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="255"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//zero<sp/>grid<sp/>first</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="256"><highlight class="normal"><sp/><sp/>std::fill(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>+<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>(),<sp/>0.0);</highlight></codeline>
+<codeline lineno="257"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">check_vector_args</ref>(coords,<sp/>type_vector,<sp/>radii,<sp/>out);</highlight></codeline>
+<codeline lineno="258"><highlight class="normal"></highlight></codeline>
+<codeline lineno="259"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="260"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>natoms<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="261"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
+<codeline lineno="262"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="263"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>natoms;<sp/>++aidx)<sp/>{</highlight></codeline>
+<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>tidx<sp/>=<sp/>0;<sp/>tidx<sp/>&lt;<sp/>ntypes;<sp/>tidx++)<sp/>{</highlight></codeline>
+<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>tmult<sp/>=<sp/>type_vector(aidx,<sp/>tidx);<sp/></highlight><highlight class="comment">//amount<sp/>of<sp/>type<sp/>for<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>acoords;</highlight></codeline>
+<codeline lineno="268"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
+<codeline lineno="269"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
+<codeline lineno="270"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
+<codeline lineno="271"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="272"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>radius<sp/>=<sp/>radii(tidx);</highlight></codeline>
+<codeline lineno="273"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
+<codeline lineno="274"><highlight class="normal"></highlight></codeline>
+<codeline lineno="275"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="276"><highlight class="normal"></highlight></codeline>
+<codeline lineno="277"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>bounds[3];</highlight></codeline>
+<codeline lineno="278"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="280"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="281"><highlight class="normal"></highlight></codeline>
+<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="283"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
+<codeline lineno="285"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
+<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_coords;</highlight></codeline>
+<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>grid_coords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="290"><highlight class="normal"></highlight></codeline>
+<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((tidx<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;true&gt;</ref>(acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"></highlight></codeline>
+<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>!=<sp/>0)</highlight></codeline>
+<codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>tmult;<sp/></highlight><highlight class="comment">//not<sp/>quite<sp/>binary</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;false&gt;</ref>(acoords.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>acoords.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>acoords.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/>grid_coords);</highlight></codeline>
+<codeline lineno="300"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>val*tmult;</highlight></codeline>
+<codeline lineno="301"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tmult<sp/>!=<sp/>0</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tidx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="307"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="comment">//aidx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="308"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="309"><highlight class="normal"></highlight></codeline>
+<codeline lineno="310"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
+<codeline lineno="311"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="312"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="313"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="315"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="316"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="317"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Example&gt;&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, true&gt;</ref>&amp;<sp/>out,</highlight></codeline>
+<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="319"><highlight class="normal"></highlight></codeline>
+<codeline lineno="320"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight></codeline>
+<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="325"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,</highlight></codeline>
+<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="327"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight></codeline>
+<codeline lineno="328"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="329"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="330"><highlight class="normal"></highlight></codeline>
+<codeline lineno="331"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="332"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="334"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="336"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="337"><highlight class="normal"></highlight></codeline>
-<codeline lineno="338"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="339"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;</highlight></codeline>
-<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>++i)<sp/>{</highlight></codeline>
-<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>ranges[1].x,<sp/>jend<sp/>=<sp/>ranges[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>++j)<sp/>{</highlight></codeline>
-<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>ranges[2].x,<sp/>kend<sp/>=<sp/>ranges[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>++k)<sp/>{</highlight></codeline>
-<codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>grid<sp/>point<sp/>coordinates<sp/>to<sp/>angstroms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="345"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="346"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="347"><highlight class="normal"></highlight></codeline>
-<codeline lineno="348"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa" kindref="member">accumulate_atom_gradient</ref>(a.x,a.y,a.z,<sp/>x,y,z,<sp/>radius,<sp/>diff(i,j,k),<sp/>agrad);</highlight></codeline>
-<codeline lineno="349"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="350"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="351"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="352"><highlight class="normal"></highlight></codeline>
-<codeline lineno="353"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>agrad;</highlight></codeline>
-<codeline lineno="354"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="355"><highlight class="normal"></highlight></codeline>
-<codeline lineno="356"><highlight class="normal"></highlight><highlight class="comment">//set<sp/>return<sp/>accumulated<sp/>gradient<sp/>of<sp/>type</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="357"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="358" refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">GridMaker::calc_type_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coordr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="338"><highlight class="normal"></highlight><highlight class="comment">//batched<sp/>cpu<sp/>float</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="339"><highlight class="normal"></highlight></codeline>
+<codeline lineno="340"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward&lt;float,2,false&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
+<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
+<codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="344"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward&lt;float,3,false&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
+<codeline lineno="345"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
+<codeline lineno="346"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
+<codeline lineno="347"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="348"><highlight class="normal"></highlight></codeline>
+<codeline lineno="349"><highlight class="normal"></highlight><highlight class="comment">//batched<sp/>cpu<sp/>double</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="350"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward&lt;double,2,false&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
+<codeline lineno="351"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
+<codeline lineno="352"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
+<codeline lineno="353"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="354"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">GridMaker::forward&lt;double,3,false&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;centers,</highlight></codeline>
+<codeline lineno="355"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;coords,</highlight></codeline>
+<codeline lineno="356"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 3, false&gt;</ref><sp/>&amp;types,</highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref><sp/>&amp;radii,<ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 5, false&gt;</ref><sp/>&amp;out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="358"><highlight class="normal"></highlight></codeline>
 <codeline lineno="359"><highlight class="normal"></highlight></codeline>
-<codeline lineno="360"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="361"><highlight class="normal"><sp/><sp/>float3<sp/>a{coordr(0),coordr(1),coordr(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="362"><highlight class="normal"></highlight></codeline>
-<codeline lineno="363"><highlight class="normal"><sp/><sp/>uint2<sp/>ranges[3];</highlight></codeline>
-<codeline lineno="364"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>a.x,<sp/>r);</highlight></codeline>
-<codeline lineno="365"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>a.y,<sp/>r);</highlight></codeline>
-<codeline lineno="366"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>a.z,<sp/>r);</highlight></codeline>
-<codeline lineno="367"><highlight class="normal"></highlight></codeline>
-<codeline lineno="368"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="369"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="370"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>++i)<sp/>{</highlight></codeline>
-<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>ranges[1].x,<sp/>jend<sp/>=<sp/>ranges[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>++j)<sp/>{</highlight></codeline>
-<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>ranges[2].x,<sp/>kend<sp/>=<sp/>ranges[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>++k)<sp/>{</highlight></codeline>
-<codeline lineno="373"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>grid<sp/>point<sp/>coordinates<sp/>to<sp/>angstroms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="374"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="375"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="376"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="377"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val;</highlight></codeline>
-<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)</highlight></codeline>
-<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/>calc_point&lt;true&gt;(a.x,<sp/>a.y,<sp/>a.z,<sp/>radius,<sp/>float3{x,y,z});</highlight></codeline>
-<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="381"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/>calc_point&lt;false&gt;(a.x,<sp/>a.y,<sp/>a.z,<sp/>radius,<sp/>float3{x,y,z});</highlight></codeline>
-<codeline lineno="382"><highlight class="normal"></highlight></codeline>
-<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>val<sp/>*<sp/>diff(i,j,k);</highlight></codeline>
-<codeline lineno="384"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="385"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="386"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="387"><highlight class="normal"></highlight></codeline>
-<codeline lineno="388"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="389"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="390"><highlight class="normal"></highlight></codeline>
-<codeline lineno="391"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="392" refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">GridMaker::calc_atom_relevance_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>density,</highlight></codeline>
-<codeline lineno="393"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="394"><highlight class="normal"></highlight></codeline>
-<codeline lineno="395"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="396"><highlight class="normal"><sp/><sp/>float3<sp/>a{coord(0),coord(1),coord(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="397"><highlight class="normal"></highlight></codeline>
-<codeline lineno="398"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="399"><highlight class="normal"><sp/><sp/>uint2<sp/>ranges[3];</highlight></codeline>
-<codeline lineno="400"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>a.x,<sp/>r);</highlight></codeline>
-<codeline lineno="401"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>a.y,<sp/>r);</highlight></codeline>
-<codeline lineno="402"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>a.z,<sp/>r);</highlight></codeline>
-<codeline lineno="403"><highlight class="normal"></highlight></codeline>
+<codeline lineno="360"><highlight class="normal"></highlight></codeline>
+<codeline lineno="361"><highlight class="normal"></highlight><highlight class="comment">//set<sp/>a<sp/>single<sp/>atom<sp/>gradient<sp/>-<sp/>note<sp/>can&apos;t<sp/>pass<sp/>a<sp/>slice<sp/>by<sp/>reference</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="362"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="363" refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" refkind="member"><highlight class="normal"><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">GridMaker::calc_atom_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coordr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"></highlight></codeline>
+<codeline lineno="365"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>agrad{0,0,0};</highlight></codeline>
+<codeline lineno="366"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="367"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>a{coordr(0),coordr(1),coordr(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="368"><highlight class="normal"></highlight></codeline>
+<codeline lineno="369"><highlight class="normal"><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>ranges[3];</highlight></codeline>
+<codeline lineno="370"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="371"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="372"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="373"><highlight class="normal"></highlight></codeline>
+<codeline lineno="374"><highlight class="normal"></highlight></codeline>
+<codeline lineno="375"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="376"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;</highlight></codeline>
+<codeline lineno="377"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>ranges[1].x,<sp/>jend<sp/>=<sp/>ranges[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>++j)<sp/>{</highlight></codeline>
+<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>ranges[2].x,<sp/>kend<sp/>=<sp/>ranges[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>++k)<sp/>{</highlight></codeline>
+<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>grid<sp/>point<sp/>coordinates<sp/>to<sp/>angstroms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="381"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="382"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="384"><highlight class="normal"></highlight></codeline>
+<codeline lineno="385"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" kindref="member">accumulate_atom_gradient</ref>(a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>x,y,z,<sp/>radius,<sp/>diff(i,j,k),<sp/>agrad);</highlight></codeline>
+<codeline lineno="386"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="387"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="388"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="389"><highlight class="normal"></highlight></codeline>
+<codeline lineno="390"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>agrad;</highlight></codeline>
+<codeline lineno="391"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="392"><highlight class="normal"></highlight></codeline>
+<codeline lineno="393"><highlight class="normal"></highlight><highlight class="comment">//set<sp/>return<sp/>accumulated<sp/>gradient<sp/>of<sp/>type</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="394"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="395" refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">GridMaker::calc_type_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coordr,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="396"><highlight class="normal"></highlight></codeline>
+<codeline lineno="397"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="398"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>a{coordr(0),coordr(1),coordr(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="399"><highlight class="normal"></highlight></codeline>
+<codeline lineno="400"><highlight class="normal"><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>ranges[3];</highlight></codeline>
+<codeline lineno="401"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="402"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="403"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>r);</highlight></codeline>
 <codeline lineno="404"><highlight class="normal"></highlight></codeline>
-<codeline lineno="405"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="406"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;</highlight></codeline>
-<codeline lineno="407"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="405"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="406"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="407"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>++i)<sp/>{</highlight></codeline>
 <codeline lineno="408"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>ranges[1].x,<sp/>jend<sp/>=<sp/>ranges[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>++j)<sp/>{</highlight></codeline>
 <codeline lineno="409"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>ranges[2].x,<sp/>kend<sp/>=<sp/>ranges[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>++k)<sp/>{</highlight></codeline>
 <codeline lineno="410"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>grid<sp/>point<sp/>coordinates<sp/>to<sp/>angstroms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="411"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="412"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="414"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="411"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="412"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="414"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val;</highlight></codeline>
 <codeline lineno="415"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)</highlight></codeline>
-<codeline lineno="416"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/>calc_point&lt;true&gt;(a.x,<sp/>a.y,<sp/>a.z,<sp/>radius,<sp/>float3{x,y,z});</highlight></codeline>
+<codeline lineno="416"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;true&gt;</ref>(a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{x,y,z});</highlight></codeline>
 <codeline lineno="417"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="418"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/>calc_point&lt;false&gt;(a.x,<sp/>a.y,<sp/>a.z,<sp/>radius,<sp/>float3{x,y,z});</highlight></codeline>
+<codeline lineno="418"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;false&gt;</ref>(a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{x,y,z});</highlight></codeline>
 <codeline lineno="419"><highlight class="normal"></highlight></codeline>
-<codeline lineno="420"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="421"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>denseval<sp/>=<sp/>density(i,j,k);</highlight></codeline>
-<codeline lineno="422"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gridval<sp/>=<sp/>diff(i,j,k);</highlight></codeline>
-<codeline lineno="423"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(denseval<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="424"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//weight<sp/>by<sp/>contribution<sp/>to<sp/>density<sp/>grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="425"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>gridval*val/denseval;</highlight></codeline>
-<codeline lineno="426"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//<sp/>surely<sp/>denseval<sp/>&gt;=<sp/>val?</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="427"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="428"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="429"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="430"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="420"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>val<sp/>*<sp/>diff(i,j,k);</highlight></codeline>
+<codeline lineno="421"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="422"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="423"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="424"><highlight class="normal"></highlight></codeline>
+<codeline lineno="425"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="426"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="427"><highlight class="normal"></highlight></codeline>
+<codeline lineno="428"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="429" refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">GridMaker::calc_atom_relevance_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>density,</highlight></codeline>
+<codeline lineno="430"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="431"><highlight class="normal"></highlight></codeline>
-<codeline lineno="432"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="433"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="432"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="433"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>a{coord(0),coord(1),coord(2)};<sp/></highlight><highlight class="comment">//atom<sp/>coordinate</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="434"><highlight class="normal"></highlight></codeline>
-<codeline lineno="435"><highlight class="normal"></highlight><highlight class="comment">//cpu<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="436"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="437" refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="438"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="439"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="440"><highlight class="normal"><sp/><sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="441"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="442"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="443"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>indexed<sp/>radii<sp/>not<sp/>supported<sp/>with<sp/>index<sp/>types.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="444"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="445"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="446"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="447"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="448"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="449"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1;<sp/>i<sp/>&lt;=<sp/>3;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="450"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)</highlight></codeline>
-<codeline lineno="451"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;diff<sp/>does<sp/>not<sp/>have<sp/>correct<sp/>dimension<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(i)+</highlight><highlight class="stringliteral">&quot;:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>));</highlight></codeline>
-<codeline lineno="452"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="453"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
-<codeline lineno="454"><highlight class="normal"></highlight></codeline>
-<codeline lineno="455"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
-<codeline lineno="456"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>round(type_index[i]);<sp/></highlight><highlight class="comment">//<sp/>this<sp/>is<sp/>which<sp/>atom-type<sp/>channel<sp/>of<sp/>the<sp/>grid<sp/>to<sp/>look<sp/>at</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="457"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(whichgrid<sp/>&gt;=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="458"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">((</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">)whichgrid<sp/>&gt;=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>{</highlight></codeline>
-<codeline lineno="459"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>channel<sp/>size<sp/>for<sp/>diff:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(whichgrid)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
-<codeline lineno="460"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="461"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>agrad<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radii[i]);</highlight></codeline>
-<codeline lineno="462"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,0)<sp/>=<sp/>agrad.x;</highlight></codeline>
-<codeline lineno="463"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,1)<sp/>=<sp/>agrad.y;</highlight></codeline>
-<codeline lineno="464"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,2)<sp/>=<sp/>agrad.z;</highlight></codeline>
-<codeline lineno="465"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="466"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="467"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="435"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="436"><highlight class="normal"><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>ranges[3];</highlight></codeline>
+<codeline lineno="437"><highlight class="normal"><sp/><sp/>ranges[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="438"><highlight class="normal"><sp/><sp/>ranges[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="439"><highlight class="normal"><sp/><sp/>ranges[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>r);</highlight></codeline>
+<codeline lineno="440"><highlight class="normal"></highlight></codeline>
+<codeline lineno="441"><highlight class="normal"></highlight></codeline>
+<codeline lineno="442"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="443"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>ranges[0].x,<sp/>iend<sp/>=<sp/>ranges[0].y;<sp/>i<sp/>&lt;<sp/>iend;</highlight></codeline>
+<codeline lineno="444"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="445"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>ranges[1].x,<sp/>jend<sp/>=<sp/>ranges[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>++j)<sp/>{</highlight></codeline>
+<codeline lineno="446"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>ranges[2].x,<sp/>kend<sp/>=<sp/>ranges[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>++k)<sp/>{</highlight></codeline>
+<codeline lineno="447"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>grid<sp/>point<sp/>coordinates<sp/>to<sp/>angstroms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="448"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="449"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="450"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="451"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="452"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)</highlight></codeline>
+<codeline lineno="453"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;true&gt;</ref>(a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{x,y,z});</highlight></codeline>
+<codeline lineno="454"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="455"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;false&gt;</ref>(a.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>a.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>a.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>radius,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{x,y,z});</highlight></codeline>
+<codeline lineno="456"><highlight class="normal"></highlight></codeline>
+<codeline lineno="457"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(val<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="458"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>denseval<sp/>=<sp/>density(i,j,k);</highlight></codeline>
+<codeline lineno="459"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gridval<sp/>=<sp/>diff(i,j,k);</highlight></codeline>
+<codeline lineno="460"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(denseval<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="461"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//weight<sp/>by<sp/>contribution<sp/>to<sp/>density<sp/>grid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="462"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ret<sp/>+=<sp/>gridval*val/denseval;</highlight></codeline>
+<codeline lineno="463"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//<sp/>surely<sp/>denseval<sp/>&gt;=<sp/>val?</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="464"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="465"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="466"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="467"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="468"><highlight class="normal"></highlight></codeline>
-<codeline lineno="469"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="470"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="471"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="472"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="473"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="474"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="475"><highlight class="normal"></highlight></codeline>
-<codeline lineno="476"><highlight class="normal"></highlight><highlight class="comment">//cpu<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="477"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="478" refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="479"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="480"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="481"><highlight class="normal"></highlight></codeline>
-<codeline lineno="482"><highlight class="normal"><sp/><sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="483"><highlight class="normal"><sp/><sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="484"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="485"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
-<codeline lineno="486"><highlight class="normal"></highlight></codeline>
-<codeline lineno="487"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="488"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Channels<sp/>in<sp/>diff<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="489"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="490"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="491"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="492"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="493"><highlight class="normal"></highlight></codeline>
-<codeline lineno="494"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="495"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="496"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="497"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="498"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="499"><highlight class="normal"></highlight></codeline>
-<codeline lineno="500"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
-<codeline lineno="501"><highlight class="normal"></highlight></codeline>
-<codeline lineno="502"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
-<codeline lineno="503"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="504"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)</highlight></codeline>
-<codeline lineno="505"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radius<sp/>=<sp/>radii(i);</highlight></codeline>
-<codeline lineno="506"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>0;<sp/>whichgrid<sp/>&lt;<sp/>ntypes;<sp/>whichgrid++)<sp/>{</highlight></codeline>
-<codeline lineno="507"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>tmult<sp/>=<sp/>type_vector(i,whichgrid);</highlight></codeline>
-<codeline lineno="508"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)</highlight></codeline>
-<codeline lineno="509"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>radius<sp/>=<sp/>radii(whichgrid);</highlight></codeline>
-<codeline lineno="510"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="511"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>agrad<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radius);</highlight></codeline>
-<codeline lineno="512"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,0)<sp/>+=<sp/>agrad.x*tmult;</highlight></codeline>
-<codeline lineno="513"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,1)<sp/>+=<sp/>agrad.y*tmult;</highlight></codeline>
-<codeline lineno="514"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,2)<sp/>+=<sp/>agrad.z*tmult;</highlight></codeline>
-<codeline lineno="515"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="516"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>type_gradients(i,whichgrid)<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">calc_type_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radius);</highlight></codeline>
-<codeline lineno="517"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="518"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="519"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="520"><highlight class="normal"></highlight></codeline>
-<codeline lineno="521"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="522"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="523"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="524"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="525"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="526"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="527"><highlight class="normal"></highlight></codeline>
-<codeline lineno="528"><highlight class="normal"></highlight></codeline>
-<codeline lineno="529"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="530" refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="531"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="532"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="533"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
-<codeline lineno="534"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
-<codeline lineno="535"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
+<codeline lineno="469"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="470"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="471"><highlight class="normal"></highlight></codeline>
+<codeline lineno="472"><highlight class="normal"></highlight><highlight class="comment">//cpu<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="473"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="474" refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="475"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="476"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="477"><highlight class="normal"><sp/><sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="478"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="479"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="480"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>indexed<sp/>radii<sp/>not<sp/>supported<sp/>with<sp/>index<sp/>types.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="481"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="482"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="483"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="484"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="485"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="486"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>1;<sp/>i<sp/>&lt;=<sp/>3;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="487"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)</highlight></codeline>
+<codeline lineno="488"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;diff<sp/>does<sp/>not<sp/>have<sp/>correct<sp/>dimension<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(i)+</highlight><highlight class="stringliteral">&quot;:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i))+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>));</highlight></codeline>
+<codeline lineno="489"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="490"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="491"><highlight class="normal"></highlight></codeline>
+<codeline lineno="492"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="493"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>round(type_index[i]);<sp/></highlight><highlight class="comment">//<sp/>this<sp/>is<sp/>which<sp/>atom-type<sp/>channel<sp/>of<sp/>the<sp/>grid<sp/>to<sp/>look<sp/>at</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="494"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(whichgrid<sp/>&gt;=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="495"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">((</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">)whichgrid<sp/>&gt;=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>{</highlight></codeline>
+<codeline lineno="496"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Incorrect<sp/>channel<sp/>size<sp/>for<sp/>diff:<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(whichgrid)+</highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="497"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="498"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>agrad<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radii[i]);</highlight></codeline>
+<codeline lineno="499"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,0)<sp/>=<sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="500"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,1)<sp/>=<sp/>agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="501"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,2)<sp/>=<sp/>agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="502"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="503"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="504"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="505"><highlight class="normal"></highlight></codeline>
+<codeline lineno="506"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="507"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="508"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="509"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="510"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="511"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="512"><highlight class="normal"></highlight></codeline>
+<codeline lineno="513"><highlight class="normal"></highlight><highlight class="comment">//cpu<sp/>backwards</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="514"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="515" refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="516"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="517"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="518"><highlight class="normal"></highlight></codeline>
+<codeline lineno="519"><highlight class="normal"><sp/><sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="520"><highlight class="normal"><sp/><sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="521"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="522"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
+<codeline lineno="523"><highlight class="normal"></highlight></codeline>
+<codeline lineno="524"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="525"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Channels<sp/>in<sp/>diff<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="526"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="527"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="528"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="529"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="530"><highlight class="normal"></highlight></codeline>
+<codeline lineno="531"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="532"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="533"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="534"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="535"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="536"><highlight class="normal"></highlight></codeline>
-<codeline lineno="537"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="538"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
-<codeline lineno="539"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">check_vector_args</ref>(coords,<sp/>type_vector,<sp/>radii,<sp/>diff);</highlight></codeline>
-<codeline lineno="540"><highlight class="normal"></highlight></codeline>
-<codeline lineno="541"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="542"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Channels<sp/>in<sp/>diff<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="543"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="544"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="545"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>gradients<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="546"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>gradients<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="547"><highlight class="normal"></highlight></codeline>
-<codeline lineno="548"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="549"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="550"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="551"><highlight class="normal"></highlight></codeline>
-<codeline lineno="552"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="553"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="554"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="555"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="556"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="537"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="538"><highlight class="normal"></highlight></codeline>
+<codeline lineno="539"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="540"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="541"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)</highlight></codeline>
+<codeline lineno="542"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>radius<sp/>=<sp/>radii(i);</highlight></codeline>
+<codeline lineno="543"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>0;<sp/>whichgrid<sp/>&lt;<sp/>ntypes;<sp/>whichgrid++)<sp/>{</highlight></codeline>
+<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>tmult<sp/>=<sp/>type_vector(i,whichgrid);</highlight></codeline>
+<codeline lineno="545"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)</highlight></codeline>
+<codeline lineno="546"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>radius<sp/>=<sp/>radii(whichgrid);</highlight></codeline>
+<codeline lineno="547"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="548"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>agrad<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radius);</highlight></codeline>
+<codeline lineno="549"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,0)<sp/>+=<sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>*tmult;</highlight></codeline>
+<codeline lineno="550"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,1)<sp/>+=<sp/>agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>*tmult;</highlight></codeline>
+<codeline lineno="551"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients(i,2)<sp/>+=<sp/>agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>*tmult;</highlight></codeline>
+<codeline lineno="552"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="553"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>type_gradients(i,whichgrid)<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">calc_type_gradient_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>diff[whichgrid],<sp/>radius);</highlight></codeline>
+<codeline lineno="554"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="555"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="556"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="557"><highlight class="normal"></highlight></codeline>
-<codeline lineno="558"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Binary<sp/>densities<sp/>not<sp/>supported&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="559"><highlight class="normal"></highlight></codeline>
-<codeline lineno="560"><highlight class="normal"><sp/><sp/>atom_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="561"><highlight class="normal"><sp/><sp/>type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();<sp/></highlight><highlight class="comment">//note<sp/>this<sp/>is<sp/>the<sp/>right<sp/>answer<sp/>-<sp/>density<sp/>is<sp/>a<sp/>linear<sp/>function<sp/>of<sp/>amount<sp/>of<sp/>type</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="562"><highlight class="normal"><sp/><sp/>diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="563"><highlight class="normal"></highlight></codeline>
-<codeline lineno="564"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="558"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="559"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="560"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="561"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">GridMaker::backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="562"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="563"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="564"><highlight class="normal"></highlight></codeline>
 <codeline lineno="565"><highlight class="normal"></highlight></codeline>
-<codeline lineno="566"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//there<sp/>are<sp/>actually<sp/>three<sp/>gradients<sp/>we<sp/>need<sp/>to<sp/>compute</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="567"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//the<sp/>backward<sp/>pass<sp/>is<sp/>a<sp/>function<sp/>of<sp/>the<sp/>coordinates,<sp/>types,<sp/>and<sp/>grid<sp/>gradient<sp/>G&apos;<sp/>(everything<sp/>else<sp/>is<sp/>constant)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="568"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>g&apos;(c,t,G&apos;)<sp/>-&gt;<sp/>(c&apos;,t&apos;)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="569"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//with<sp/>respect<sp/>to<sp/>the<sp/>G&apos;,<sp/>this<sp/>is<sp/>just<sp/>the<sp/>previous<sp/>multiplier</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="570"><highlight class="normal"></highlight></codeline>
-<codeline lineno="571"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="572"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>n;<sp/>++aidx)<sp/>{</highlight></codeline>
-<codeline lineno="573"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>tidx<sp/>=<sp/>0;<sp/>tidx<sp/>&lt;<sp/>ntypes;<sp/>tidx++)<sp/>{</highlight></codeline>
-<codeline lineno="574"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>tmult<sp/>=<sp/>type_vector(aidx,<sp/>tidx);<sp/></highlight><highlight class="comment">//amount<sp/>of<sp/>type<sp/>for<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="575"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="576"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref><sp/>diffG<sp/>=<sp/>diff[tidx];</highlight></codeline>
+<codeline lineno="566"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="567" refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="568"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="569"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="570"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="571"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="572"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
+<codeline lineno="573"><highlight class="normal"></highlight></codeline>
+<codeline lineno="574"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="575"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes<sp/>=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1);</highlight></codeline>
+<codeline lineno="576"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" kindref="member">check_vector_args</ref>(coords,<sp/>type_vector,<sp/>radii,<sp/>diff);</highlight></codeline>
 <codeline lineno="577"><highlight class="normal"></highlight></codeline>
-<codeline lineno="578"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax<sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
-<codeline lineno="579"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay<sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
-<codeline lineno="580"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az<sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
-<codeline lineno="581"><highlight class="normal"></highlight></codeline>
-<codeline lineno="582"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>agrad;<sp/></highlight><highlight class="comment">//cartesian<sp/>gradient</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="583"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.x<sp/>=<sp/>atom_gradients(aidx,<sp/>0);</highlight></codeline>
-<codeline lineno="584"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.y<sp/>=<sp/>atom_gradients(aidx,<sp/>1);</highlight></codeline>
-<codeline lineno="585"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.z<sp/>=<sp/>atom_gradients(aidx,<sp/>2);</highlight></codeline>
-<codeline lineno="586"><highlight class="normal"></highlight></codeline>
-<codeline lineno="587"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>tgrad<sp/>=<sp/>type_gradients(aidx,<sp/>tidx);</highlight></codeline>
+<codeline lineno="578"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_vector.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="579"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>diff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Channels<sp/>in<sp/>diff<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="580"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="581"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="582"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>atom_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Atom<sp/>gradient<sp/>gradients<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="583"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>gradients<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="584"><highlight class="normal"></highlight></codeline>
+<codeline lineno="585"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_gradients.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="586"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>ntypes)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>gradient<sp/>dimension<sp/>has<sp/>wrong<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="587"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="588"><highlight class="normal"></highlight></codeline>
-<codeline lineno="589"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
-<codeline lineno="590"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>radius<sp/>=<sp/>radii(tidx);</highlight></codeline>
-<codeline lineno="591"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
-<codeline lineno="592"><highlight class="normal"></highlight></codeline>
-<codeline lineno="593"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar<sp/>=<sp/>radius*<ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
-<codeline lineno="594"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
-<codeline lineno="595"><highlight class="normal"></highlight></codeline>
-<codeline lineno="596"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>uint2<sp/>bounds[3];</highlight></codeline>
-<codeline lineno="597"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.x,<sp/>ax,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="598"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.y,<sp/>ay,<sp/>densityrad);</highlight></codeline>
-<codeline lineno="599"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(grid_origin.z,<sp/>az,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="589"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>types</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="590"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ntypes<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>types&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="591"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//radii<sp/>should<sp/>be<sp/>size<sp/>of<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="592"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="593"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="594"><highlight class="normal"></highlight></codeline>
+<codeline lineno="595"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Binary<sp/>densities<sp/>not<sp/>supported&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="596"><highlight class="normal"></highlight></codeline>
+<codeline lineno="597"><highlight class="normal"><sp/><sp/>atom_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="598"><highlight class="normal"><sp/><sp/>type_diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();<sp/></highlight><highlight class="comment">//note<sp/>this<sp/>is<sp/>the<sp/>right<sp/>answer<sp/>-<sp/>density<sp/>is<sp/>a<sp/>linear<sp/>function<sp/>of<sp/>amount<sp/>of<sp/>type</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="599"><highlight class="normal"><sp/><sp/>diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
 <codeline lineno="600"><highlight class="normal"></highlight></codeline>
-<codeline lineno="601"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>adiffdiff{0,0,0};</highlight></codeline>
+<codeline lineno="601"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
 <codeline lineno="602"><highlight class="normal"></highlight></codeline>
-<codeline lineno="603"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="604"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="605"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
-<codeline lineno="606"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
-<codeline lineno="607"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.x<sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="608"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.y<sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="609"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.z<sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
-<codeline lineno="610"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>G<sp/>=<sp/>diffG(i,j,k);</highlight></codeline>
-<codeline lineno="611"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((tidx<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
-<codeline lineno="612"><highlight class="normal"></highlight></codeline>
-<codeline lineno="613"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_x<sp/>=<sp/>x<sp/>-<sp/>ax;</highlight></codeline>
-<codeline lineno="614"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_y<sp/>=<sp/>y<sp/>-<sp/>ay;</highlight></codeline>
-<codeline lineno="615"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_z<sp/>=<sp/>z<sp/>-<sp/>az;</highlight></codeline>
-<codeline lineno="616"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist_x<sp/>*<sp/>dist_x<sp/>+<sp/>dist_y<sp/>*<sp/>dist_y<sp/>+<sp/>dist_z<sp/>*<sp/>dist_z;</highlight></codeline>
-<codeline lineno="617"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>dist<sp/>=<sp/>sqrt(dist2);</highlight></codeline>
+<codeline lineno="603"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//there<sp/>are<sp/>actually<sp/>three<sp/>gradients<sp/>we<sp/>need<sp/>to<sp/>compute</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="604"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//the<sp/>backward<sp/>pass<sp/>is<sp/>a<sp/>function<sp/>of<sp/>the<sp/>coordinates,<sp/>types,<sp/>and<sp/>grid<sp/>gradient<sp/>G&apos;<sp/>(everything<sp/>else<sp/>is<sp/>constant)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="605"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//<sp/>g&apos;(c,t,G&apos;)<sp/>-&gt;<sp/>(c&apos;,t&apos;)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="606"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//with<sp/>respect<sp/>to<sp/>the<sp/>G&apos;,<sp/>this<sp/>is<sp/>just<sp/>the<sp/>previous<sp/>multiplier</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="607"><highlight class="normal"></highlight></codeline>
+<codeline lineno="608"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//iterate<sp/>over<sp/>all<sp/>atoms</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="609"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>aidx<sp/>=<sp/>0;<sp/>aidx<sp/>&lt;<sp/>n;<sp/>++aidx)<sp/>{</highlight></codeline>
+<codeline lineno="610"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>tidx<sp/>=<sp/>0;<sp/>tidx<sp/>&lt;<sp/>ntypes;<sp/>tidx++)<sp/>{</highlight></codeline>
+<codeline lineno="611"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>tmult<sp/>=<sp/>type_vector(aidx,<sp/>tidx);<sp/></highlight><highlight class="comment">//amount<sp/>of<sp/>type<sp/>for<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="612"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(tmult<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="613"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref><sp/>diffG<sp/>=<sp/>diff[tidx];</highlight></codeline>
+<codeline lineno="614"><highlight class="normal"></highlight></codeline>
+<codeline lineno="615"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax<sp/>=<sp/>coords(aidx,<sp/>0);</highlight></codeline>
+<codeline lineno="616"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay<sp/>=<sp/>coords(aidx,<sp/>1);</highlight></codeline>
+<codeline lineno="617"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az<sp/>=<sp/>coords(aidx,<sp/>2);</highlight></codeline>
 <codeline lineno="618"><highlight class="normal"></highlight></codeline>
-<codeline lineno="619"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>agrad_dist<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d" kindref="member">density_grad_dist</ref>(dist,ar);</highlight></codeline>
-<codeline lineno="620"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//in<sp/>backwards<sp/>did</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="621"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>agrad.x<sp/>+=<sp/>-(dist_x<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>gridval)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="622"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>differentiate<sp/>with<sp/>respect<sp/>to<sp/>gridval</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="623"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(std::isfinite(agrad_dist))<sp/>{<sp/></highlight><highlight class="comment">//overlapping<sp/>grid<sp/>position</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="624"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gval<sp/>=<sp/>0.0;</highlight></codeline>
-<codeline lineno="625"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(dist<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="626"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_x<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.x);</highlight></codeline>
-<codeline lineno="627"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_y<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.y);</highlight></codeline>
-<codeline lineno="628"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_z<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.z);</highlight></codeline>
-<codeline lineno="629"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>*=<sp/>tmult;</highlight></codeline>
-<codeline lineno="630"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="631"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//type<sp/>backwards<sp/>was<sp/>just<sp/>the<sp/>density<sp/>value</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="632"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/>calc_point&lt;false&gt;(ax,<sp/>ay,<sp/>az,<sp/>radius,<sp/>float3{x,y,z});</highlight></codeline>
-<codeline lineno="633"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>val*tgrad;</highlight></codeline>
-<codeline lineno="634"><highlight class="normal"></highlight></codeline>
-<codeline lineno="635"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(diffdiff.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>gval;</highlight></codeline>
-<codeline lineno="636"><highlight class="normal"></highlight></codeline>
-<codeline lineno="637"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//now<sp/>accumulate<sp/>gradient<sp/>with<sp/>respect<sp/>to<sp/>atom<sp/>positions</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="638"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.x<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" kindref="member">atom_density_grad_grad</ref>(ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.x;</highlight></codeline>
-<codeline lineno="639"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.x<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="640"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.x<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(ax,<sp/>x,<sp/>ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.y;</highlight></codeline>
-<codeline lineno="641"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.x<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="642"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.x<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(ax,<sp/>x,<sp/>az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.z;</highlight></codeline>
-<codeline lineno="643"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.x<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="644"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.x<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" kindref="member">type_grad_grad</ref>(ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
-<codeline lineno="645"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.x<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="646"><highlight class="normal"></highlight></codeline>
-<codeline lineno="647"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.y<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(ay,<sp/>y,<sp/>ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.x;</highlight></codeline>
-<codeline lineno="648"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.y<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" kindref="member">atom_density_grad_grad</ref>(ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.y;</highlight></codeline>
-<codeline lineno="649"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.y<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(ay,<sp/>y,<sp/>az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.z;</highlight></codeline>
-<codeline lineno="650"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.y<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" kindref="member">type_grad_grad</ref>(ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
-<codeline lineno="651"><highlight class="normal"></highlight></codeline>
-<codeline lineno="652"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.z<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(az,<sp/>z,<sp/>ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.x;</highlight></codeline>
-<codeline lineno="653"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.z<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(az,<sp/>z,<sp/>ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.y;</highlight></codeline>
-<codeline lineno="654"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.z<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" kindref="member">atom_density_grad_grad</ref>(az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.z;</highlight></codeline>
-<codeline lineno="655"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.z<sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" kindref="member">type_grad_grad</ref>(az,<sp/>z,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
-<codeline lineno="656"><highlight class="normal"></highlight></codeline>
-<codeline lineno="657"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="658"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;G<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>G<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/><sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.x<sp/>&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;adiffdiff.y<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;adiffdiff.z&lt;&lt;</highlight><highlight class="stringliteral">&quot;<sp/><sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>agrad.x&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;agrad.y&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;agrad.z<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="659"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="660"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//if<sp/>valid<sp/>grid<sp/>point</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="661"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//k</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="662"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//j</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="663"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//i</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="664"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,0)<sp/>+=<sp/>adiffdiff.x;</highlight></codeline>
-<codeline lineno="665"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,1)<sp/>+=<sp/>adiffdiff.y;</highlight></codeline>
-<codeline lineno="666"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,2)<sp/>+=<sp/>adiffdiff.z;</highlight></codeline>
-<codeline lineno="667"><highlight class="normal"></highlight></codeline>
-<codeline lineno="668"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tmult<sp/>!=<sp/>0</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="669"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tidx</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="670"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="comment">//aidx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="619"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>agrad;<sp/></highlight><highlight class="comment">//cartesian<sp/>gradient</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="620"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>=<sp/>atom_gradients(aidx,<sp/>0);</highlight></codeline>
+<codeline lineno="621"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>=<sp/>atom_gradients(aidx,<sp/>1);</highlight></codeline>
+<codeline lineno="622"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>=<sp/>atom_gradients(aidx,<sp/>2);</highlight></codeline>
+<codeline lineno="623"><highlight class="normal"></highlight></codeline>
+<codeline lineno="624"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>tgrad<sp/>=<sp/>type_gradients(aidx,<sp/>tidx);</highlight></codeline>
+<codeline lineno="625"><highlight class="normal"></highlight></codeline>
+<codeline lineno="626"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="627"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>)<sp/>radius<sp/>=<sp/>radii(tidx);</highlight></codeline>
+<codeline lineno="628"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>radius<sp/>=<sp/>radii(aidx);</highlight></codeline>
+<codeline lineno="629"><highlight class="normal"></highlight></codeline>
+<codeline lineno="630"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar<sp/>=<sp/>radius*<ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
+<codeline lineno="631"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad<sp/>=<sp/>radius<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="632"><highlight class="normal"></highlight></codeline>
+<codeline lineno="633"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>bounds[3];</highlight></codeline>
+<codeline lineno="634"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[0]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>ax,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="635"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[1]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>ay,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="636"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>bounds[2]<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>,<sp/>az,<sp/>densityrad);</highlight></codeline>
+<codeline lineno="637"><highlight class="normal"></highlight></codeline>
+<codeline lineno="638"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>adiffdiff{0,0,0};</highlight></codeline>
+<codeline lineno="639"><highlight class="normal"></highlight></codeline>
+<codeline lineno="640"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//for<sp/>every<sp/>grid<sp/>point<sp/>possibly<sp/>overlapped<sp/>by<sp/>this<sp/>atom</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="641"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>bounds[0].x,<sp/>iend<sp/>=<sp/>bounds[0].y;<sp/>i<sp/>&lt;<sp/>iend;<sp/>i++)<sp/>{</highlight></codeline>
+<codeline lineno="642"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>j<sp/>=<sp/>bounds[1].x,<sp/>jend<sp/>=<sp/>bounds[1].y;<sp/>j<sp/>&lt;<sp/>jend;<sp/>j++)<sp/>{</highlight></codeline>
+<codeline lineno="643"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>k<sp/>=<sp/>bounds[2].x,<sp/>kend<sp/>=<sp/>bounds[2].y;<sp/>k<sp/>&lt;<sp/>kend;<sp/>k++)<sp/>{</highlight></codeline>
+<codeline lineno="644"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>i<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="645"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>j<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="646"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z<sp/>=<sp/>grid_origin.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>k<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="647"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>G<sp/>=<sp/>diffG(i,j,k);</highlight></codeline>
+<codeline lineno="648"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>((((tidx<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>i)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>)<sp/>+<sp/>j)<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref><sp/>+<sp/>k;</highlight></codeline>
+<codeline lineno="649"><highlight class="normal"></highlight></codeline>
+<codeline lineno="650"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_x<sp/>=<sp/>x<sp/>-<sp/>ax;</highlight></codeline>
+<codeline lineno="651"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_y<sp/>=<sp/>y<sp/>-<sp/>ay;</highlight></codeline>
+<codeline lineno="652"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_z<sp/>=<sp/>z<sp/>-<sp/>az;</highlight></codeline>
+<codeline lineno="653"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist_x<sp/>*<sp/>dist_x<sp/>+<sp/>dist_y<sp/>*<sp/>dist_y<sp/>+<sp/>dist_z<sp/>*<sp/>dist_z;</highlight></codeline>
+<codeline lineno="654"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>dist<sp/>=<sp/>sqrt(dist2);</highlight></codeline>
+<codeline lineno="655"><highlight class="normal"></highlight></codeline>
+<codeline lineno="656"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>agrad_dist<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" kindref="member">density_grad_dist</ref>(dist,ar);</highlight></codeline>
+<codeline lineno="657"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//in<sp/>backwards<sp/>did</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="658"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>agrad.x<sp/>+=<sp/>-(dist_x<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>gridval)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="659"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>differentiate<sp/>with<sp/>respect<sp/>to<sp/>gridval</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="660"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(std::isfinite(agrad_dist))<sp/>{<sp/></highlight><highlight class="comment">//overlapping<sp/>grid<sp/>position</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="661"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gval<sp/>=<sp/>0.0;</highlight></codeline>
+<codeline lineno="662"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(dist<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="663"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_x<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>);</highlight></codeline>
+<codeline lineno="664"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_y<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>);</highlight></codeline>
+<codeline lineno="665"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>-(dist_z<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>);</highlight></codeline>
+<codeline lineno="666"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>*=<sp/>tmult;</highlight></codeline>
+<codeline lineno="667"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="668"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//type<sp/>backwards<sp/>was<sp/>just<sp/>the<sp/>density<sp/>value</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="669"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>val<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point&lt;false&gt;</ref>(ax,<sp/>ay,<sp/>az,<sp/>radius,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>{x,y,z});</highlight></codeline>
+<codeline lineno="670"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>gval<sp/>+=<sp/>val*tgrad;</highlight></codeline>
 <codeline lineno="671"><highlight class="normal"></highlight></codeline>
-<codeline lineno="672"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="672"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>*(diffdiff.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>+<sp/>offset)<sp/>+=<sp/>gval;</highlight></codeline>
 <codeline lineno="673"><highlight class="normal"></highlight></codeline>
-<codeline lineno="674"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(float3,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="675"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="676"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="677"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;);</highlight></codeline>
-<codeline lineno="678"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="679"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="680"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="681"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;);</highlight></codeline>
-<codeline lineno="682"><highlight class="normal"></highlight></codeline>
+<codeline lineno="674"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//now<sp/>accumulate<sp/>gradient<sp/>with<sp/>respect<sp/>to<sp/>atom<sp/>positions</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="675"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kindref="member">atom_density_grad_grad</ref>(ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="676"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="677"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(ax,<sp/>x,<sp/>ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="678"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="679"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(ax,<sp/>x,<sp/>az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="680"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="681"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kindref="member">type_grad_grad</ref>(ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
+<codeline lineno="682"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="683"><highlight class="normal"></highlight></codeline>
-<codeline lineno="684"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="685" refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="686"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="687"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="688"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="689"><highlight class="normal"></highlight></codeline>
-<codeline lineno="690"><highlight class="normal"><sp/><sp/>relevance.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="691"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="692"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="693"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="694"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="695"><highlight class="normal"></highlight></codeline>
-<codeline lineno="696"><highlight class="normal"><sp/><sp/>float3<sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
-<codeline lineno="697"><highlight class="normal"></highlight></codeline>
-<codeline lineno="698"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
-<codeline lineno="699"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>round(type_index[i]);<sp/></highlight><highlight class="comment">//<sp/>this<sp/>is<sp/>which<sp/>atom-type<sp/>channel<sp/>of<sp/>the<sp/>grid<sp/>to<sp/>look<sp/>at</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="700"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(whichgrid<sp/>&gt;=<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="701"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>relevance(i)<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">calc_atom_relevance_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>density[whichgrid],<sp/>diff[whichgrid],<sp/>radii[i]);</highlight></codeline>
-<codeline lineno="702"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="703"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
-<codeline lineno="704"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="705"><highlight class="normal"></highlight></codeline>
-<codeline lineno="706"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(float3,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="707"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="708"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="709"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(float3,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="710"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
-<codeline lineno="711"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 1, false&gt;</ref>&amp;<sp/>)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="712"><highlight class="normal"></highlight></codeline>
-<codeline lineno="713"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="684"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(ay,<sp/>y,<sp/>ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="685"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kindref="member">atom_density_grad_grad</ref>(ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="686"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(ay,<sp/>y,<sp/>az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="687"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kindref="member">type_grad_grad</ref>(ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
+<codeline lineno="688"><highlight class="normal"></highlight></codeline>
+<codeline lineno="689"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(az,<sp/>z,<sp/>ax,<sp/>x,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="690"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(az,<sp/>z,<sp/>ay,<sp/>y,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="691"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kindref="member">atom_density_grad_grad</ref>(az,<sp/>z,<sp/>dist,<sp/>ar)*G*tmult*agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="692"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kindref="member">type_grad_grad</ref>(az,<sp/>z,<sp/>dist,<sp/>ar)*G*tgrad;</highlight></codeline>
+<codeline lineno="693"><highlight class="normal"></highlight></codeline>
+<codeline lineno="694"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(G<sp/>!=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="695"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::cerr<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;G<sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>G<sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;<sp/><sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>&lt;&lt;</highlight><highlight class="stringliteral">&quot;<sp/><sp/>&quot;</highlight><highlight class="normal"><sp/>&lt;&lt;<sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>&lt;&lt;</highlight><highlight class="stringliteral">&quot;,&quot;</highlight><highlight class="normal">&lt;&lt;agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>&lt;&lt;<sp/></highlight><highlight class="stringliteral">&quot;\n&quot;</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="696"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="697"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//if<sp/>valid<sp/>grid<sp/>point</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="698"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//k</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="699"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//j</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="700"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//i</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="701"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,0)<sp/>+=<sp/>adiffdiff.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="702"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,1)<sp/>+=<sp/>adiffdiff.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="703"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_diffdiff(aidx,2)<sp/>+=<sp/>adiffdiff.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="704"><highlight class="normal"></highlight></codeline>
+<codeline lineno="705"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tmult<sp/>!=<sp/>0</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="706"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//tidx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="707"><highlight class="normal"><sp/><sp/>}<sp/></highlight><highlight class="comment">//aidx</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="708"><highlight class="normal"></highlight></codeline>
+<codeline lineno="709"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="710"><highlight class="normal"></highlight></codeline>
+<codeline lineno="711"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref>,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="712"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="713"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="714"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;);</highlight></codeline>
+<codeline lineno="715"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">GridMaker::backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="716"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="717"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="718"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 2, false&gt;</ref>&amp;);</highlight></codeline>
+<codeline lineno="719"><highlight class="normal"></highlight></codeline>
+<codeline lineno="720"><highlight class="normal"></highlight></codeline>
+<codeline lineno="721"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="722" refid="classlibmolgrid_1_1GridMaker_1ae89253196f881023269e4b9b26cf9098" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="723"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="724"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="725"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="726"><highlight class="normal"></highlight></codeline>
+<codeline lineno="727"><highlight class="normal"><sp/><sp/>relevance.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
+<codeline lineno="728"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n<sp/>=<sp/>coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="729"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>type_index.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Type<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates.&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="730"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Need<sp/>x,y,z,r<sp/>for<sp/>coord_radius&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="731"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(n<sp/>!=<sp/>radii.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>())<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Radii<sp/>dimension<sp/>doesn&apos;t<sp/>equal<sp/>number<sp/>of<sp/>coordinates&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="732"><highlight class="normal"></highlight></codeline>
+<codeline lineno="733"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(grid_center);</highlight></codeline>
+<codeline lineno="734"><highlight class="normal"></highlight></codeline>
+<codeline lineno="735"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>n;<sp/>++i)<sp/>{</highlight></codeline>
+<codeline lineno="736"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>whichgrid<sp/>=<sp/>round(type_index[i]);<sp/></highlight><highlight class="comment">//<sp/>this<sp/>is<sp/>which<sp/>atom-type<sp/>channel<sp/>of<sp/>the<sp/>grid<sp/>to<sp/>look<sp/>at</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="737"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(whichgrid<sp/>&gt;=<sp/>0)<sp/>{</highlight></codeline>
+<codeline lineno="738"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>relevance(i)<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">calc_atom_relevance_cpu</ref>(grid_origin,<sp/>coords[i],<sp/>density[whichgrid],<sp/>diff[whichgrid],<sp/>radii[i]);</highlight></codeline>
+<codeline lineno="739"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="740"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="741"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="742"><highlight class="normal"></highlight></codeline>
+<codeline lineno="743"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref>,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="744"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="745"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 4, false&gt;</ref>&amp;,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="746"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">GridMaker::backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref>,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="747"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;,</highlight></codeline>
+<codeline lineno="748"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 4, false&gt;</ref>&amp;<sp/>,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;double, 1, false&gt;</ref>&amp;<sp/>)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="749"><highlight class="normal"></highlight></codeline>
+<codeline lineno="750"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>!LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="751"><highlight class="normal"></highlight><highlight class="comment">//<sp/>---------------------------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="752"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Definitions<sp/>previously<sp/>in<sp/>grid_maker.cu<sp/>(non-kernel,<sp/>CPU-callable<sp/>functions)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="753"><highlight class="normal"></highlight><highlight class="comment">//<sp/>---------------------------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="754"><highlight class="normal"></highlight></codeline>
+<codeline lineno="755" refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" refkind="member"><highlight class="normal"><ref refid="structuint2" kindref="compound">uint2</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">GridMaker::get_bounds_1d</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="756"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>coord,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="757"><highlight class="normal"><sp/><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/>bounds{0,<sp/>0};</highlight></codeline>
+<codeline lineno="758"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>low<sp/>=<sp/>coord<sp/>-<sp/>densityrad<sp/>-<sp/>grid_origin;</highlight></codeline>
+<codeline lineno="759"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(low<sp/>&gt;<sp/>0)<sp/>bounds.<ref refid="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" kindref="member">x</ref><sp/>=<sp/>(unsigned)floor(low<sp/>/<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>);</highlight></codeline>
+<codeline lineno="760"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>high<sp/>=<sp/>coord<sp/>+<sp/>densityrad<sp/>-<sp/>grid_origin;</highlight></codeline>
+<codeline lineno="761"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(high<sp/>&gt;<sp/>0)<sp/>bounds.<ref refid="structuint2_1ac30de26db5f6d1c18c63913729adca7d" kindref="member">y</ref><sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>,<sp/>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal">)ceil(high<sp/>/<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>));</highlight></codeline>
+<codeline lineno="762"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>bounds;</highlight></codeline>
+<codeline lineno="763"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="764"><highlight class="normal"></highlight></codeline>
+<codeline lineno="765" refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kindref="member">GridMaker::type_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r)<sp/>{</highlight></codeline>
+<codeline lineno="766"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist<sp/>*<sp/>dist;</highlight></codeline>
+<codeline lineno="767"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0.0f;</highlight></codeline>
+<codeline lineno="768"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&lt;=<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="769"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r2<sp/>=<sp/>r<sp/>*<sp/>r;</highlight></codeline>
+<codeline lineno="770"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ex<sp/>=<sp/>-2.0f<sp/>*<sp/>dist2<sp/>/<sp/>r2;</highlight></codeline>
+<codeline lineno="771"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>16*(a-x)*(a-x)*expf(ex)/(r2*r2)<sp/>-<sp/>4*expf(ex)/(r2);</highlight></codeline>
+<codeline lineno="772"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="773"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax<sp/>=<sp/>a<sp/>-<sp/>x,<sp/>ax2<sp/>=<sp/>ax<sp/>*<sp/>ax;</highlight></codeline>
+<codeline lineno="774"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term1<sp/>=<sp/>-(<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/r)*ax2/(powf(dist2,1.5f)*r);</highlight></codeline>
+<codeline lineno="775"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term2<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*ax2/(dist2*r*r);</highlight></codeline>
+<codeline lineno="776"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term3<sp/>=<sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/r)/(dist*r);</highlight></codeline>
+<codeline lineno="777"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>term1<sp/>+<sp/>term2<sp/>+<sp/>term3;</highlight></codeline>
+<codeline lineno="778"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="779"><highlight class="normal"></highlight></codeline>
+<codeline lineno="780" refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kindref="member">GridMaker::atom_density_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r)<sp/>{</highlight></codeline>
+<codeline lineno="781"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist<sp/>*<sp/>dist;</highlight></codeline>
+<codeline lineno="782"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0.0f;</highlight></codeline>
+<codeline lineno="783"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&lt;=<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="784"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r2<sp/>=<sp/>r<sp/>*<sp/>r;</highlight></codeline>
+<codeline lineno="785"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ex<sp/>=<sp/>-2.0f<sp/>*<sp/>dist2<sp/>/<sp/>r2;</highlight></codeline>
+<codeline lineno="786"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>16*(a-x)*(a-x)*expf(ex)/(r2*r2)<sp/>-<sp/>4*expf(ex)/(r2);</highlight></codeline>
+<codeline lineno="787"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="788"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax<sp/>=<sp/>a<sp/>-<sp/>x,<sp/>ax2<sp/>=<sp/>ax<sp/>*<sp/>ax;</highlight></codeline>
+<codeline lineno="789"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term1<sp/>=<sp/>-(<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/r)*ax2/(powf(dist2,1.5f)*r);</highlight></codeline>
+<codeline lineno="790"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term2<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*ax2/(dist2*r*r);</highlight></codeline>
+<codeline lineno="791"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term3<sp/>=<sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/r)/(dist*r);</highlight></codeline>
+<codeline lineno="792"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>term1<sp/>+<sp/>term2<sp/>+<sp/>term3;</highlight></codeline>
+<codeline lineno="793"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="794"><highlight class="normal"></highlight></codeline>
+<codeline lineno="795" refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">GridMaker::atom_density_grad_grad_other</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>b,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r)<sp/>{</highlight></codeline>
+<codeline lineno="796"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist<sp/>*<sp/>dist;</highlight></codeline>
+<codeline lineno="797"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0.0f;</highlight></codeline>
+<codeline lineno="798"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&lt;=<sp/>r<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="799"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r2<sp/>=<sp/>r<sp/>*<sp/>r;</highlight></codeline>
+<codeline lineno="800"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ex<sp/>=<sp/>-2.0f<sp/>*<sp/>dist2<sp/>/<sp/>r2;</highlight></codeline>
+<codeline lineno="801"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>16*(a-x)*(b-y)*expf(ex)/(r2*r2);</highlight></codeline>
+<codeline lineno="802"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="803"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax<sp/>=<sp/>a<sp/>-<sp/>x,<sp/>by<sp/>=<sp/>b<sp/>-<sp/>y;</highlight></codeline>
+<codeline lineno="804"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term1<sp/>=<sp/>-(<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/r)*ax*by/(powf(dist2,1.5f)*r);</highlight></codeline>
+<codeline lineno="805"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>term2<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*ax*by/(dist2*r*r);</highlight></codeline>
+<codeline lineno="806"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>term1<sp/>+<sp/>term2;</highlight></codeline>
+<codeline lineno="807"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="808"><highlight class="normal"></highlight></codeline>
+<codeline lineno="809" refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" kindref="member">GridMaker::density_grad_dist</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="810"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist<sp/>*<sp/>dist;</highlight></codeline>
+<codeline lineno="811"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>ar<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>NAN;</highlight></codeline>
+<codeline lineno="812"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&lt;=<sp/>ar<sp/>*<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="813"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ex<sp/>=<sp/>-2.0f<sp/>*<sp/>dist2<sp/>/<sp/>(ar<sp/>*<sp/>ar);</highlight></codeline>
+<codeline lineno="814"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>(-4.0f<sp/>*<sp/>dist<sp/>/<sp/>(ar<sp/>*<sp/>ar))<sp/>*<sp/>expf(ex);</highlight></codeline>
+<codeline lineno="815"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="816"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>*dist/ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref>)/ar;</highlight></codeline>
+<codeline lineno="817"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="818"><highlight class="normal"></highlight></codeline>
+<codeline lineno="819" refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" kindref="member">GridMaker::accumulate_atom_gradient</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,</highlight></codeline>
+<codeline lineno="820"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gridval,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>agrad)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="821"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist_x<sp/>=<sp/>x<sp/>-<sp/>ax,<sp/>dist_y<sp/>=<sp/>y<sp/>-<sp/>ay,<sp/>dist_z<sp/>=<sp/>z<sp/>-<sp/>az;</highlight></codeline>
+<codeline lineno="822"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist2<sp/>=<sp/>dist_x*dist_x<sp/>+<sp/>dist_y*dist_y<sp/>+<sp/>dist_z*dist_z;</highlight></codeline>
+<codeline lineno="823"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>dist<sp/>=<sp/>sqrt(dist2);</highlight></codeline>
+<codeline lineno="824"><highlight class="normal"><sp/><sp/>ar<sp/>*=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
+<codeline lineno="825"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>agrad_dist<sp/>=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" kindref="member">density_grad_dist</ref>(dist,<sp/>ar);</highlight></codeline>
+<codeline lineno="826"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dist<sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>isfinite(agrad_dist))<sp/>{</highlight></codeline>
+<codeline lineno="827"><highlight class="normal"><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+=<sp/>-(dist_x<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>gridval);</highlight></codeline>
+<codeline lineno="828"><highlight class="normal"><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+=<sp/>-(dist_y<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>gridval);</highlight></codeline>
+<codeline lineno="829"><highlight class="normal"><sp/><sp/><sp/><sp/>agrad.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+=<sp/>-(dist_z<sp/>/<sp/>dist)<sp/>*<sp/>(agrad_dist<sp/>*<sp/>gridval);</highlight></codeline>
+<codeline lineno="830"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="831"><highlight class="normal">}</highlight></codeline>
+<codeline lineno="832"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="833"><highlight class="normal"></highlight></codeline>
+<codeline lineno="834"><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_maker.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__maker_8cu.xml b/docs/cpp/xml/grid__maker_8cu.xml
index 598eaf0c..fc14fc73 100644
--- a/docs/cpp/xml/grid__maker_8cu.xml
+++ b/docs/cpp/xml/grid__maker_8cu.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__maker_8cu" kind="file" language="C++">
     <compoundname>grid_maker.cu</compoundname>
     <briefdescription>
@@ -1010,6 +1010,6 @@
 <codeline></codeline>
 <codeline><highlight class="normal">}<sp/>/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_maker.cu"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cu"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/grid__maker_8h.xml b/docs/cpp/xml/grid__maker_8h.xml
index 1e20bb90..d2009d48 100644
--- a/docs/cpp/xml/grid__maker_8h.xml
+++ b/docs/cpp/xml/grid__maker_8h.xml
@@ -1,65 +1,80 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="grid__maker_8h" kind="file" language="C++">
     <compoundname>grid_maker.h</compoundname>
     <includes local="no">vector</includes>
     <includes local="no">array</includes>
     <includes local="no">algorithm</includes>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includes refid="coordinateset_8h" local="yes">libmolgrid/coordinateset.h</includes>
     <includes refid="grid_8h" local="yes">libmolgrid/grid.h</includes>
     <includes refid="example_8h" local="yes">libmolgrid/example.h</includes>
     <includes refid="transform_8h" local="yes">libmolgrid/transform.h</includes>
     <includedby refid="grid__maker_8cpp" local="yes">grid_maker.cpp</includedby>
     <incdepgraph>
-      <node id="23">
+      <node id="5">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+      </node>
+      <node id="12">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
+      </node>
+      <node id="29">
         <label>libmolgrid/example.h</label>
         <link refid="example_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="11">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="5">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="15">
-        <label>cassert</label>
-      </node>
-      <node id="26">
-        <label>stdexcept</label>
-      </node>
-      <node id="12">
+      <node id="21">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
         </childnode>
-      </node>
-      <node id="7">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="24">
-        <label>unordered_set</label>
-      </node>
-      <node id="22">
-        <label>random</label>
       </node>
       <node id="1">
         <label>grid_maker.h</label>
@@ -72,128 +87,150 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
-        </childnode>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="25" relation="include">
-        </childnode>
-      </node>
-      <node id="2">
-        <label>vector</label>
-      </node>
-      <node id="10">
-        <label>utility</label>
-      </node>
-      <node id="3">
-        <label>array</label>
-      </node>
-      <node id="17">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="30" relation="include">
         </childnode>
       </node>
-      <node id="16">
-        <label>iostream</label>
-      </node>
       <node id="25">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="22" relation="include">
-        </childnode>
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
         <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
-        </childnode>
-        <childnode refid="27" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="20">
-        <label>cuda.h</label>
-      </node>
-      <node id="19">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="14">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="8">
+      <node id="15">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="9" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
         </childnode>
       </node>
-      <node id="13">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="27">
+      <node id="31">
         <label>libmolgrid/quaternion.h</label>
         <link refid="quaternion_8h"/>
         <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="21">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="22" relation="include">
+      <node id="27">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+      </node>
+      <node id="30">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="26" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="31" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
         </childnode>
       </node>
       <node id="4">
         <label>algorithm</label>
       </node>
+      <node id="3">
+        <label>array</label>
+      </node>
       <node id="18">
-        <label>cstring</label>
+        <label>boost/lexical_cast.hpp</label>
       </node>
-      <node id="6">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="7" relation="include">
-        </childnode>
-        <childnode refid="8" relation="include">
-        </childnode>
+      <node id="22">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="23">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="19">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="24">
+        <label>cassert</label>
+      </node>
+      <node id="16">
+        <label>cstdlib</label>
+      </node>
+      <node id="7">
+        <label>cstring</label>
       </node>
       <node id="9">
+        <label>iostream</label>
+      </node>
+      <node id="11">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="6">
         <label>memory</label>
       </node>
-    </incdepgraph>
-    <invincdepgraph>
+      <node id="13">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="26">
+        <label>random</label>
+      </node>
+      <node id="8">
+        <label>stdexcept</label>
+      </node>
+      <node id="10">
+        <label>string</label>
+      </node>
+      <node id="28">
+        <label>unordered_set</label>
+      </node>
+      <node id="17">
+        <label>utility</label>
+      </node>
       <node id="2">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
+        <label>vector</label>
       </node>
+    </incdepgraph>
+    <invincdepgraph>
       <node id="1">
         <label>grid_maker.h</label>
         <link refid="grid__maker_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
       </node>
+      <node id="2">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1GridMaker" prot="public">libmolgrid::GridMaker</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -216,7 +253,7 @@
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;array&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;algorithm&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="coordinateset_8h" kindref="compound">libmolgrid/coordinateset.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="example_8h" kindref="compound">libmolgrid/example.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
@@ -224,8 +261,8 @@
 <codeline lineno="20"><highlight class="normal"></highlight></codeline>
 <codeline lineno="21"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="22"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GridMaker</highlight></codeline>
-<codeline lineno="34" refid="classlibmolgrid_1_1GridMaker" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref><sp/>{</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_GridMaker</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="34" refid="classlibmolgrid_1_1GridMaker" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref><sp/>{</highlight></codeline>
 <codeline lineno="35"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="36" refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref><sp/>=<sp/>0.5;<sp/></highlight></codeline>
 <codeline lineno="37" refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref><sp/>=<sp/>0;<sp/></highlight></codeline>
@@ -235,8 +272,8 @@
 <codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>$\frac{1+2G^2}{2G}$</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="42" refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref><sp/>=<sp/>1.5;</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"></highlight></codeline>
-<codeline lineno="44" refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>;<sp/></highlight><highlight class="comment">//precalculated<sp/>coefficients<sp/>for<sp/>density</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="45" refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref>;<sp/></highlight><highlight class="comment">//precalculate<sp/>coefficients<sp/>for<sp/>backprop</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="44" refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>;<sp/></highlight><highlight class="comment">//precalculated<sp/>coefficients<sp/>for<sp/>density</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="45" refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>,<ref refid="classlibmolgrid_1_1GridMaker_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref>;<sp/></highlight><highlight class="comment">//precalculate<sp/>coefficients<sp/>for<sp/>backprop</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="46" refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;<sp/></highlight></codeline>
 <codeline lineno="47" refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="48" refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>;<sp/></highlight></codeline>
@@ -252,6 +289,7 @@
 <codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="59"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="60"><highlight class="normal"></highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight></codeline>
 <codeline lineno="70" refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res<sp/>=<sp/>0,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d<sp/>=<sp/>0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>bin<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>rti<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rscale=1.0,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grm<sp/>=<sp/>1.0)<sp/>:</highlight></codeline>
 <codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>(res),<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref>(d),<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>(rscale),<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>(grm),<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>(0),</highlight></codeline>
 <codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a07a6bb9578ba69062c2abaac7a0422ae" kindref="member">binary</ref>(bin),<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a977c968e9082c04e5405c2e2091e7a5e" kindref="member">radii_type_indexed</ref>(rti)<sp/>{</highlight></codeline>
@@ -262,8 +300,8 @@
 <codeline lineno="77"><highlight class="normal"></highlight></codeline>
 <codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aed69b61eca6f6bd638a0049acb63a16c" kindref="member">initialize</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>res,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>d,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>bin<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>rscale=1.0,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grm=1.0);</highlight></codeline>
 <codeline lineno="86"><highlight class="normal"></highlight></codeline>
-<codeline lineno="88" refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" kindref="member">get_grid_dims</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_float3(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>);</highlight></codeline>
+<codeline lineno="88" refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a2e292f1d60ceee6ea204080aae140b46" kindref="member">get_grid_dims</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>);</highlight></codeline>
 <codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="91"><highlight class="normal"></highlight></codeline>
 <codeline lineno="93" refid="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a89ed55a7eb6d9fb6a9c119f2377b235b" kindref="member">get_resolution</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;<sp/>}</highlight></codeline>
@@ -283,7 +321,7 @@
 <codeline lineno="114"><highlight class="normal"></highlight></codeline>
 <codeline lineno="116" refid="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab252273ae1616c329c9185dba68fc1b1" kindref="member">get_radiusmultiple</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>*<ref refid="classlibmolgrid_1_1GridMaker_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;<sp/>}</highlight></codeline>
 <codeline lineno="117"><highlight class="normal"></highlight></codeline>
-<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>float3<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" kindref="member">get_grid_origin</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_center)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"></highlight></codeline>
 <codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_forward_1</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>grid<sp/>tensor<sp/>from<sp/>atomic<sp/>data.<sp/><sp/>Grid<sp/>(CPU)<sp/>must<sp/>be<sp/>properly<sp/>sized.</highlight></codeline>
@@ -292,7 +330,7 @@
 <codeline lineno="129"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="130"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="132" refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="132" refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()<sp/>&amp;&amp;<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
 <codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>out);</highlight></codeline>
 <codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
@@ -307,7 +345,7 @@
 <codeline lineno="144"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="145"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="147" refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="147" refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>()<sp/>&amp;&amp;<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" kindref="member">size</ref>()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
 <codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>out);</highlight></codeline>
 <codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
@@ -340,7 +378,7 @@
 <codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>isCUDA&gt;</highlight></codeline>
 <codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref>&amp;<sp/>out,</highlight></codeline>
 <codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translation=0.0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotation<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">,</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>center<sp/>=<sp/>make_float3(INFINITY,<sp/>INFINITY,<sp/>INFINITY))<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>center<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(INFINITY,<sp/>INFINITY,<sp/>INFINITY))<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="181"><highlight class="normal"></highlight></codeline>
 <codeline lineno="182"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_forward_5</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>grid<sp/>tensor<sp/>from<sp/>a<sp/>vector<sp/>of<sp/>examples,<sp/>as<sp/>provided<sp/>by<sp/>ExampleProvider.next_batch.</highlight></codeline>
@@ -359,7 +397,7 @@
 <codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.size()<sp/>!=<sp/>out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;output<sp/>grid<sp/>dimension<sp/>does<sp/>not<sp/>match<sp/>size<sp/>of<sp/>example<sp/>vector&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0,<sp/>n<sp/>=<sp/>in.size();<sp/>i<sp/>&lt;<sp/>n;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref><sp/>g(out[i]);</highlight></codeline>
-<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>forward&lt;Dtype,isCUDA&gt;(in[i],g,<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
+<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward&lt;Dtype,isCUDA&gt;</ref>(in[i],g,<sp/>random_translation,<sp/>random_rotation);</highlight></codeline>
 <codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="201"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="202"><highlight class="normal"></highlight></codeline>
@@ -373,7 +411,7 @@
 <codeline lineno="210"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="211"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
 <codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
 <codeline lineno="215"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="216"><highlight class="normal"></highlight></codeline>
@@ -386,7 +424,7 @@
 <codeline lineno="223"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="224"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="226" refid="classlibmolgrid_1_1GridMaker_1aae319692941bdf08cdc099fe00d17008" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aae319692941bdf08cdc099fe00d17008" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
 <codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
 <codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="229"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
@@ -400,7 +438,7 @@
 <codeline lineno="237"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="238"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="239"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
 <codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
 <codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="243"><highlight class="normal"></highlight></codeline>
@@ -413,7 +451,7 @@
 <codeline lineno="250"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
 <codeline lineno="251"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="252"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="253"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="253" refid="classlibmolgrid_1_1GridMaker_1ab0b1c2667f95deecad72ff0901cbabfa" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ab0b1c2667f95deecad72ff0901cbabfa" kindref="member">forward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
 <codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vector,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
 <codeline lineno="255"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>out)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="256"><highlight class="normal"></highlight></codeline>
@@ -433,455 +471,461 @@
 <codeline lineno="270"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref><sp/>=<sp/>centers.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
 <codeline lineno="271"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>)</highlight></codeline>
 <codeline lineno="272"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight></codeline>
-<codeline lineno="273"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
+<codeline lineno="273"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(coords.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
 <codeline lineno="274"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(types.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>)</highlight></codeline>
 <codeline lineno="275"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight></codeline>
-<codeline lineno="276"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(types.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
+<codeline lineno="276"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(types.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
 <codeline lineno="277"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(radii.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>)</highlight></codeline>
 <codeline lineno="278"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight></codeline>
-<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
+<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(radii.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
 <codeline lineno="280"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)<sp/>!=<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>)</highlight></codeline>
 <codeline lineno="281"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight></codeline>
-<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
+<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="stringliteral">&quot;Mismatched<sp/>batch<sp/>sizes:<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>vs<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(<ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>));</highlight></codeline>
 <codeline lineno="283"><highlight class="normal"></highlight></codeline>
-<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>static_assert(N<sp/>==<sp/>2<sp/>||<sp/>N<sp/>==<sp/>3);</highlight></codeline>
+<codeline lineno="284"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static_assert</highlight><highlight class="normal">(N<sp/>==<sp/>2<sp/>||<sp/>N<sp/>==<sp/>3,<sp/></highlight><highlight class="stringliteral">&quot;Unsupported<sp/>types<sp/>dimension&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="285"><highlight class="normal"></highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>center<sp/>=<sp/>{<sp/>0,<sp/>};</highlight></codeline>
+<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center<sp/>=<sp/>{<sp/>0,<sp/>};</highlight></codeline>
 <codeline lineno="287"><highlight class="normal"></highlight></codeline>
 <codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>;<sp/>i++)<sp/>{</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(isCUDA)</highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaMemcpy(&amp;center,<sp/>centers[i].data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(center),cudaMemcpyDeviceToHost);</highlight></codeline>
-<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(&amp;center,<sp/>centers[i].data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(center));</highlight></codeline>
-<codeline lineno="293"><highlight class="normal"></highlight></codeline>
-<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>from<sp/>subgrids<sp/>to<sp/>full<sp/>grids</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref><sp/>=<sp/>coords[i];</highlight></codeline>
-<codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt;float,<sp/>N-1,<sp/>isCUDA&gt;<sp/>T<sp/>=<sp/>types[i];</highlight></codeline>
-<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>R<sp/>=<sp/>radii[i];</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref><sp/>O<sp/>=<sp/>out[i];</highlight></codeline>
-<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(center,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>,<sp/>T,<sp/>R,<sp/>O);</highlight></codeline>
-<codeline lineno="300"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="301"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="302"><highlight class="normal"></highlight></codeline>
-<codeline lineno="303"><highlight class="normal"></highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_1</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="306"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="307"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Vector<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="308"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="309"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="310"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="311"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="312"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>only<sp/>set<sp/>if<sp/>input<sp/>has<sp/>type<sp/>vectors</highlight></codeline>
-<codeline lineno="313"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="315" refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atomic_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="317"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,<sp/>atomic_gradients,<sp/>type_gradients);</highlight></codeline>
-<codeline lineno="319"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="323"><highlight class="normal"></highlight></codeline>
-<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_2</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="325"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="326"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="327"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required</highlight></codeline>
-<codeline lineno="328"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="329"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="330"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="331"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="332"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="334" refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atomic_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="336"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,<sp/>atomic_gradients);</highlight></codeline>
-<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="342"><highlight class="normal"></highlight></codeline>
-<codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_3</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="345"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="346"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Vector<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="347"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="348"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="349"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="350"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="351"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>only<sp/>set<sp/>if<sp/>input<sp/>has<sp/>type<sp/>vectors</highlight></codeline>
-<codeline lineno="352"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="353"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="354" refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="355"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atomic_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="356"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,<sp/>atomic_gradients,<sp/>type_gradients);</highlight></codeline>
-<codeline lineno="358"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="362"><highlight class="normal"></highlight></codeline>
-<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_4</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="364"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="365"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="366"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="367"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="368"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="369"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>diff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="370"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="371"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="373" refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="374"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atomic_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="375"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="376"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,<sp/>atomic_gradients);</highlight></codeline>
-<codeline lineno="377"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="381"><highlight class="normal"></highlight></codeline>
-<codeline lineno="382"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_5</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="384"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="385"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="386"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
-<codeline lineno="387"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
-<codeline lineno="388"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="389"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="390"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="391"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="392"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="393"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="394"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="395"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="396"><highlight class="normal"></highlight></codeline>
-<codeline lineno="397"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_6</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="398"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="399"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="400"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="401"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates(Nx3)</highlight></codeline>
-<codeline lineno="402"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
-<codeline lineno="403"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="404"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="405"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="406"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="407"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="408"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="409"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="410"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="411"><highlight class="normal"></highlight></codeline>
-<codeline lineno="412"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_7</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="414"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="415"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="416"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/><sp/>(Nx3)</highlight></codeline>
-<codeline lineno="417"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
-<codeline lineno="418"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="419"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="420"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="421"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="422"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="423"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="424"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="425"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="426"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="427"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="428"><highlight class="normal"></highlight></codeline>
-<codeline lineno="429"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_8</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="430"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="431"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="432"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="433"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
-<codeline lineno="434"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
-<codeline lineno="435"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="436"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="437"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="438"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="439"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
-<codeline lineno="440"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="441"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="442"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="443"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="444"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>grid,</highlight></codeline>
-<codeline lineno="445"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="446"><highlight class="normal"></highlight></codeline>
-<codeline lineno="447"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_1</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="448"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="449"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="450"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
-<codeline lineno="451"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="452"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
-<codeline lineno="453"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
-<codeline lineno="454"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="455"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="456"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="457"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="458"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="459"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="460"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
-<codeline lineno="461"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
-<codeline lineno="462"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="463"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="464"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="465"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="466"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="467"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
-<codeline lineno="468"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
-<codeline lineno="469"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff);</highlight></codeline>
-<codeline lineno="470"><highlight class="normal"></highlight></codeline>
-<codeline lineno="471"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_2</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="472"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="473"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="474"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
-<codeline lineno="475"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="476"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
-<codeline lineno="477"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
-<codeline lineno="478"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="479"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="480"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="481"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="482"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="483"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="484"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
-<codeline lineno="485"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
-<codeline lineno="486"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="487"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="488"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="489"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="490"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="491"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
-<codeline lineno="492"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
-<codeline lineno="493"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_diffdiff);</highlight></codeline>
-<codeline lineno="494"><highlight class="normal"></highlight></codeline>
-<codeline lineno="495"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_3</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="496"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="497"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>CoordinateSet<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="498"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
-<codeline lineno="499"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="500"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="501"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="502"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="503"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="504"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="505"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
-<codeline lineno="506"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
-<codeline lineno="507"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="508"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="509" refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" kindref="member">backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
-<codeline lineno="510"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="511"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
-<codeline lineno="512"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
-<codeline lineno="513"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
-<codeline lineno="514"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="515"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,</highlight></codeline>
-<codeline lineno="516"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients,<sp/>type_gradients,<sp/>diffdiff,<sp/>atom_diffdiff,<sp/>type_diffdiff);</highlight></codeline>
-<codeline lineno="517"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="518"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="519"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="520"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="521"><highlight class="normal"></highlight></codeline>
-<codeline lineno="522"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_4</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="523"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="524"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>CoordinateSet<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
-<codeline lineno="525"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
-<codeline lineno="526"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="527"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="528"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="529"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="530"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
-<codeline lineno="531"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="532"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="533"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
-<codeline lineno="534"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="535"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="536" refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" kindref="member">backward_gradients</ref>(float3<sp/>grid_center,<sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
-<codeline lineno="537"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="538"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
-<codeline lineno="539"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
-<codeline lineno="540"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
-<codeline lineno="541"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="542"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,</highlight></codeline>
-<codeline lineno="543"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients,<sp/>type_gradients,<sp/>diffdiff,<sp/>atom_diffdiff,<sp/>type_diffdiff);</highlight></codeline>
-<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="545"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="546"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="547"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="548"><highlight class="normal"></highlight></codeline>
-<codeline lineno="549"><highlight class="normal"></highlight></codeline>
-<codeline lineno="550"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="551"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="552"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="553"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="554"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
-<codeline lineno="555"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>diff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
-<codeline lineno="556"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="557"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="558"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="559" refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(float3<sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
-<codeline lineno="560"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="561"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="562"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="563"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>density,<sp/>diff,<sp/>relevance);</highlight></codeline>
-<codeline lineno="564"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="565"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set<sp/>in<sp/>backward<sp/>relevance&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="566"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="567"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="568"><highlight class="normal"></highlight></codeline>
-<codeline lineno="569"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="570"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="571"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="572"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
-<codeline lineno="573"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>density<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
-<codeline lineno="574"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
-<codeline lineno="575"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="576"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="577"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="578" refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" kindref="member">backward_relevance</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
-<codeline lineno="579"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="580"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="581"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="582"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>density,<sp/>diff,<sp/>relevance);</highlight></codeline>
-<codeline lineno="583"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="584"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set<sp/>in<sp/>backward<sp/>relevance&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="585"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="586"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="587"><highlight class="normal"></highlight></codeline>
-<codeline lineno="588"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(CPU)</highlight></codeline>
-<codeline lineno="589"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="590"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="591"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
-<codeline lineno="592"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_index</highlight></codeline>
-<codeline lineno="593"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii</highlight></codeline>
-<codeline lineno="594"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
-<codeline lineno="595"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
-<codeline lineno="596"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="597"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="598"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="599"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="600"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="601"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="602"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="603"><highlight class="normal"></highlight></codeline>
-<codeline lineno="604"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(GPU)</highlight></codeline>
-<codeline lineno="605"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
-<codeline lineno="606"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
-<codeline lineno="607"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
-<codeline lineno="608"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_index</highlight></codeline>
-<codeline lineno="609"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii</highlight></codeline>
-<codeline lineno="610"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
-<codeline lineno="611"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
-<codeline lineno="612"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
-<codeline lineno="613"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="614"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="615"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(float3<sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
-<codeline lineno="616"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
-<codeline lineno="617"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
-<codeline lineno="618"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref>&amp;<sp/>relevance)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="619"><highlight class="normal"></highlight></codeline>
-<codeline lineno="620"><highlight class="normal"></highlight></codeline>
-<codeline lineno="621"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>The<sp/>function<sp/>that<sp/>actually<sp/>updates<sp/>the<sp/>voxel<sp/>density<sp/>values.</highlight></codeline>
-<codeline lineno="622"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>natoms<sp/>number<sp/>of<sp/>possibly<sp/>relevant<sp/>atoms</highlight></codeline>
-<codeline lineno="623"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid<sp/>origin</highlight></codeline>
-<codeline lineno="624"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
-<codeline lineno="625"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
-<codeline lineno="626"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="627"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="628"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="629"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary&gt;</highlight></codeline>
-<codeline lineno="630"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1aae0d7f428b69470abdad707078ba2acb" kindref="member">CUDA_DEVICE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" kindref="member">set_atoms</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/>float3<sp/>grid_origin,</highlight></codeline>
-<codeline lineno="631"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3<sp/>*coords,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*tindex,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*radii,<sp/>Dtype*<sp/>out);</highlight></codeline>
-<codeline lineno="632"><highlight class="normal"></highlight></codeline>
-<codeline lineno="633"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>The<sp/>function<sp/>that<sp/>actually<sp/>updates<sp/>the<sp/>voxel<sp/>density<sp/>values.</highlight></codeline>
-<codeline lineno="634"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>natoms<sp/>number<sp/>of<sp/>possibly<sp/>relevant<sp/>atoms</highlight></codeline>
-<codeline lineno="635"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid<sp/>origin</highlight></codeline>
-<codeline lineno="636"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
-<codeline lineno="637"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vector<sp/>(NxT)</highlight></codeline>
-<codeline lineno="638"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>number<sp/>of<sp/>types</highlight></codeline>
-<codeline lineno="639"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
-<codeline lineno="640"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
-<codeline lineno="641"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="642"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;</highlight></codeline>
-<codeline lineno="643"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1aae0d7f428b69470abdad707078ba2acb" kindref="member">CUDA_DEVICE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" kindref="member">set_atoms</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/>float3<sp/>grid_origin,</highlight></codeline>
-<codeline lineno="644"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3<sp/>*coords,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*type_vec,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
-<codeline lineno="645"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*radii,<sp/>Dtype*<sp/>out);</highlight></codeline>
-<codeline lineno="646"><highlight class="normal"></highlight></codeline>
-<codeline lineno="647"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//protected:</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="648"><highlight class="normal"></highlight></codeline>
-<codeline lineno="649"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>atomic<sp/>gradient<sp/>for<sp/>single<sp/>atom<sp/>-<sp/>cpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="650"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="651"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="289"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/>(isCUDA)</highlight></codeline>
+<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(&amp;center,<sp/>centers[i].data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(center),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(&amp;center,<sp/>centers[i].data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(center));</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(&amp;center,<sp/>centers[i].data(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(center));</highlight></codeline>
+<codeline lineno="296"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="297"><highlight class="normal"></highlight></codeline>
+<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//convert<sp/>from<sp/>subgrids<sp/>to<sp/>full<sp/>grids</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, isCUDA&gt;</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref><sp/>=<sp/>coords[i];</highlight></codeline>
+<codeline lineno="300"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt;float,<sp/>N-1,<sp/>isCUDA&gt;<sp/>T<sp/>=<sp/>types[i];</highlight></codeline>
+<codeline lineno="301"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, isCUDA&gt;</ref><sp/>R<sp/>=<sp/>radii[i];</highlight></codeline>
+<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, isCUDA&gt;</ref><sp/>O<sp/>=<sp/>out[i];</highlight></codeline>
+<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" kindref="member">forward</ref>(center,<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>,<sp/>T,<sp/>R,<sp/>O);</highlight></codeline>
+<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="306"><highlight class="normal"></highlight></codeline>
+<codeline lineno="307"><highlight class="normal"></highlight></codeline>
+<codeline lineno="308"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_1</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="309"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="310"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="311"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Vector<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="312"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="313"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="314"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="315"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="316"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>only<sp/>set<sp/>if<sp/>input<sp/>has<sp/>type<sp/>vectors</highlight></codeline>
+<codeline lineno="317"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="319" refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atomic_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="322"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,<sp/>atomic_gradients,<sp/>type_gradients);</highlight></codeline>
+<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="325"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="327"><highlight class="normal"></highlight></codeline>
+<codeline lineno="328"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="329"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="330"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="331"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required</highlight></codeline>
+<codeline lineno="332"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="333"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="334"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="335"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="336"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="338" refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atomic_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,<sp/>atomic_gradients);</highlight></codeline>
+<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="343"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="345"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="346"><highlight class="normal"></highlight></codeline>
+<codeline lineno="347"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_3</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="348"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="349"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="350"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Vector<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="351"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="352"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="353"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="354"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="355"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>only<sp/>set<sp/>if<sp/>input<sp/>has<sp/>type<sp/>vectors</highlight></codeline>
+<codeline lineno="356"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="358" refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atomic_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,<sp/>atomic_gradients,<sp/>type_gradients);</highlight></codeline>
+<codeline lineno="362"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="365"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="366"><highlight class="normal"></highlight></codeline>
+<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_4</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="369"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="370"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="371"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="372"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="373"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>diff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="374"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="375"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="376"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="377" refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atomic_gradients)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,<sp/>atomic_gradients);</highlight></codeline>
+<codeline lineno="381"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="382"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="384"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="385"><highlight class="normal"></highlight></codeline>
+<codeline lineno="386"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_5</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="387"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="388"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="389"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="390"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
+<codeline lineno="391"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
+<codeline lineno="392"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="393"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="394"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="395"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="396"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="397"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="398"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="399"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="400"><highlight class="normal"></highlight></codeline>
+<codeline lineno="401"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_6</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="402"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="403"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="404"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="405"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates(Nx3)</highlight></codeline>
+<codeline lineno="406"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
+<codeline lineno="407"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="408"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="409"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="410"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="411"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="412" refid="classlibmolgrid_1_1GridMaker_1a8e5f02ebf9ddcd49efa83ff97d2d4292" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8e5f02ebf9ddcd49efa83ff97d2d4292" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="414"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="415"><highlight class="normal"></highlight></codeline>
+<codeline lineno="416"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_7</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="417"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>and<sp/>type<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="418"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="419"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="420"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/><sp/>(Nx3)</highlight></codeline>
+<codeline lineno="421"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
+<codeline lineno="422"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="423"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="424"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="425"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="426"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="427"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="428"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="429"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="430"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="431"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="432"><highlight class="normal"></highlight></codeline>
+<codeline lineno="433"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_8</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="434"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>atom<sp/>gradients<sp/>from<sp/>grid<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="435"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="436"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="437"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
+<codeline lineno="438"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
+<codeline lineno="439"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="440"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="441"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="442"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="443"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
+<codeline lineno="444"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="445"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="446" refid="classlibmolgrid_1_1GridMaker_1a9983c8842c0a051af69c9bfa2b71d62d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a9983c8842c0a051af69c9bfa2b71d62d" kindref="member">backward</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="447"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="448"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>grid,</highlight></codeline>
+<codeline lineno="449"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="450"><highlight class="normal"></highlight></codeline>
+<codeline lineno="451"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_1</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="452"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="453"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="454"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
+<codeline lineno="455"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="456"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
+<codeline lineno="457"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
+<codeline lineno="458"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="459"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="460"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="461"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="462"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="463"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="464"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
+<codeline lineno="465"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
+<codeline lineno="466"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="467"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="468"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="469"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="470"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="471"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="472"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="473"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff);</highlight></codeline>
+<codeline lineno="474"><highlight class="normal"></highlight></codeline>
+<codeline lineno="475"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_2</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="476"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="477"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>atom<sp/>coordinates,<sp/>types,<sp/>and<sp/>radii<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="478"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
+<codeline lineno="479"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="480"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates<sp/>(Nx3)</highlight></codeline>
+<codeline lineno="481"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vectors<sp/>(NxT)</highlight></codeline>
+<codeline lineno="482"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="483"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="484"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="485"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="486"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="487"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="488"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
+<codeline lineno="489"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
+<codeline lineno="490"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="491"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="492" refid="classlibmolgrid_1_1GridMaker_1ae05af91cad9785fc671c57c1488d6934" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae05af91cad9785fc671c57c1488d6934" kindref="member">backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="493"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>type_vectors,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="494"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="495"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="496"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="497"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_diffdiff);</highlight></codeline>
+<codeline lineno="498"><highlight class="normal"></highlight></codeline>
+<codeline lineno="499"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_3</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="500"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="501"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>CoordinateSet<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="502"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
+<codeline lineno="503"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="504"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="505"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="506"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="507"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="508"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="509"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom*</highlight></codeline>
+<codeline lineno="510"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
+<codeline lineno="511"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="512"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="513" refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" kindref="member">backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
+<codeline lineno="514"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="515"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="516"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="517"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
+<codeline lineno="518"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="519"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>diff,</highlight></codeline>
+<codeline lineno="520"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients,<sp/>type_gradients,<sp/>diffdiff,<sp/>atom_diffdiff,<sp/>type_diffdiff);</highlight></codeline>
+<codeline lineno="521"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="522"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="523"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="524"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="525"><highlight class="normal"></highlight></codeline>
+<codeline lineno="526"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_GridMaker_backward_gradients_4</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="527"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Generate<sp/>gradients<sp/>of<sp/>atom/type<sp/>gradients.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="528"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Must<sp/>provide<sp/>CoordinateSet<sp/>that<sp/>defined<sp/>the<sp/>original<sp/>grid<sp/>in<sp/>forward</highlight></codeline>
+<codeline lineno="529"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>and<sp/>grid<sp/>gradients<sp/>from<sp/>backward.</highlight></codeline>
+<codeline lineno="530"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>in<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="531"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="532"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>atomic_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="533"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_gradients<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="534"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>diffdiff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>gradients<sp/>of<sp/>gradients</highlight></codeline>
+<codeline lineno="535"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="536"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>type_diffdiff<sp/>vector<sp/>quantities<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="537"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*</highlight></codeline>
+<codeline lineno="538"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="539"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="540" refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" kindref="member">backward_gradients</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
+<codeline lineno="541"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="542"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_gradients,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="543"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>atom_diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>type_diffdiff)<sp/>{</highlight></codeline>
+<codeline lineno="545"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" kindref="member">has_vector_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="546"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" kindref="member">backward_gradients</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" kindref="member">type_vector</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>diff,</highlight></codeline>
+<codeline lineno="547"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>atom_gradients,<sp/>type_gradients,<sp/>diffdiff,<sp/>atom_diffdiff,<sp/>type_diffdiff);</highlight></codeline>
+<codeline lineno="548"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="549"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Vector<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="550"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="551"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="552"><highlight class="normal"></highlight></codeline>
+<codeline lineno="553"><highlight class="normal"></highlight></codeline>
+<codeline lineno="554"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="555"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="556"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="557"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="558"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
+<codeline lineno="559"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>diff<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
+<codeline lineno="560"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="561"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="562"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="563" refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
+<codeline lineno="564"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="565"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="566"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="567"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.cpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.cpu(),<sp/>density,<sp/>diff,<sp/>relevance);</highlight></codeline>
+<codeline lineno="568"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="569"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set<sp/>in<sp/>backward<sp/>relevance&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="570"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="571"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="572"><highlight class="normal"></highlight></codeline>
+<codeline lineno="573"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="574"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="575"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="576"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinate<sp/>set</highlight></codeline>
+<codeline lineno="577"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>density<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
+<codeline lineno="578"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
+<codeline lineno="579"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="580"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="581"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="582" refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" kindref="member">backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref>&amp;<sp/>in,</highlight></codeline>
+<codeline lineno="583"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="584"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref>&amp;<sp/>relevance)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="585"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" kindref="member">has_indexed_types</ref>())<sp/>{</highlight></codeline>
+<codeline lineno="586"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(grid_center,<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" kindref="member">coords</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" kindref="member">type_index</ref>.gpu(),<sp/>in.<ref refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" kindref="member">radii</ref>.gpu(),<sp/>density,<sp/>diff,<sp/>relevance);</highlight></codeline>
+<codeline lineno="587"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
+<codeline lineno="588"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Index<sp/>types<sp/>missing<sp/>from<sp/>coordinate<sp/>set<sp/>in<sp/>backward<sp/>relevance&quot;</highlight><highlight class="normal">);<sp/></highlight><highlight class="comment">//could<sp/>setup<sp/>dummy<sp/>types<sp/>here</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="589"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="590"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="591"><highlight class="normal"></highlight></codeline>
+<codeline lineno="592"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(CPU)</highlight></codeline>
+<codeline lineno="593"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="594"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="595"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
+<codeline lineno="596"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_index</highlight></codeline>
+<codeline lineno="597"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii</highlight></codeline>
+<codeline lineno="598"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
+<codeline lineno="599"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
+<codeline lineno="600"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="601"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="602"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="603"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" kindref="member">backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, false&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="604"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, false&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="605"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, false&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="606"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, false&gt;</ref>&amp;<sp/>relevance)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="607"><highlight class="normal"></highlight></codeline>
+<codeline lineno="608"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Propagate<sp/>relevance<sp/>(in<sp/>diff)<sp/>onto<sp/>atoms.<sp/>(GPU)</highlight></codeline>
+<codeline lineno="609"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>Index<sp/>types<sp/>are<sp/>required.</highlight></codeline>
+<codeline lineno="610"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>center<sp/>of<sp/>grid</highlight></codeline>
+<codeline lineno="611"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
+<codeline lineno="612"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type_index</highlight></codeline>
+<codeline lineno="613"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii</highlight></codeline>
+<codeline lineno="614"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>densities<sp/>(used<sp/>in<sp/>forward)</highlight></codeline>
+<codeline lineno="615"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>a<sp/>4D<sp/>grid<sp/>of<sp/>relevance</highlight></codeline>
+<codeline lineno="616"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>relevance<sp/>score<sp/>for<sp/>each<sp/>atom</highlight></codeline>
+<codeline lineno="617"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="618"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="619" refid="classlibmolgrid_1_1GridMaker_1ac912f62cc430d5cfe2c32c9a6fd62539" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ac912f62cc430d5cfe2c32c9a6fd62539" kindref="member">backward_relevance</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 2, true&gt;</ref>&amp;<sp/>coords,</highlight></codeline>
+<codeline lineno="620"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>type_index,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;float, 1, true&gt;</ref>&amp;<sp/>radii,</highlight></codeline>
+<codeline lineno="621"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref>&amp;<sp/>diff,</highlight></codeline>
+<codeline lineno="622"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref>&amp;<sp/>relevance)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="623"><highlight class="normal"></highlight></codeline>
+<codeline lineno="624"><highlight class="normal"></highlight></codeline>
+<codeline lineno="625"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>The<sp/>function<sp/>that<sp/>actually<sp/>updates<sp/>the<sp/>voxel<sp/>density<sp/>values.</highlight></codeline>
+<codeline lineno="626"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>natoms<sp/>number<sp/>of<sp/>possibly<sp/>relevant<sp/>atoms</highlight></codeline>
+<codeline lineno="627"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid<sp/>origin</highlight></codeline>
+<codeline lineno="628"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
+<codeline lineno="629"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>indices<sp/>(N<sp/>integers<sp/>stored<sp/>as<sp/>floats)</highlight></codeline>
+<codeline lineno="630"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="631"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
+<codeline lineno="632"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="633"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary&gt;</highlight></codeline>
+<codeline lineno="634" refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1aae0d7f428b69470abdad707078ba2acb" kindref="member">CUDA_DEVICE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae98505a3494cc88a22355bb832f86a2c" kindref="member">set_atoms</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="635"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>*coords,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*tindex,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*radii,<sp/>Dtype*<sp/>out);</highlight></codeline>
+<codeline lineno="636"><highlight class="normal"></highlight></codeline>
+<codeline lineno="637"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>The<sp/>function<sp/>that<sp/>actually<sp/>updates<sp/>the<sp/>voxel<sp/>density<sp/>values.</highlight></codeline>
+<codeline lineno="638"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>natoms<sp/>number<sp/>of<sp/>possibly<sp/>relevant<sp/>atoms</highlight></codeline>
+<codeline lineno="639"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid<sp/>origin</highlight></codeline>
+<codeline lineno="640"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coordinates</highlight></codeline>
+<codeline lineno="641"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>type<sp/>vector<sp/>(NxT)</highlight></codeline>
+<codeline lineno="642"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>number<sp/>of<sp/>types</highlight></codeline>
+<codeline lineno="643"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>radii<sp/>(N)</highlight></codeline>
+<codeline lineno="644"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>out<sp/>a<sp/>4D<sp/>grid</highlight></codeline>
+<codeline lineno="645"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="646"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;</highlight></codeline>
+<codeline lineno="647" refid="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1aae0d7f428b69470abdad707078ba2acb" kindref="member">CUDA_DEVICE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1adf1f096d082feefaba2521014e2d1fb7" kindref="member">set_atoms</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="648"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>*coords,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*type_vec,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
+<codeline lineno="649"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>*radii,<sp/>Dtype*<sp/>out);</highlight></codeline>
+<codeline lineno="650"><highlight class="normal"></highlight></codeline>
+<codeline lineno="651"><highlight class="normal"><sp/><sp/></highlight><highlight class="comment">//protected:</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="652"><highlight class="normal"></highlight></codeline>
-<codeline lineno="653"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>gradient<sp/>of<sp/>type<sp/>for<sp/>type<sp/>vector<sp/>case</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="653"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>atomic<sp/>gradient<sp/>for<sp/>single<sp/>atom<sp/>-<sp/>cpu</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="654"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="655"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">calc_type_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="655"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" kindref="member">calc_atom_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="656"><highlight class="normal"></highlight></codeline>
-<codeline lineno="657"><highlight class="normal"></highlight></codeline>
-<codeline lineno="658"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>atomic<sp/>relevance<sp/>for<sp/>single<sp/>atom<sp/>-<sp/>cpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="659"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="660"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">calc_atom_relevance_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="657"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>gradient<sp/>of<sp/>type<sp/>for<sp/>type<sp/>vector<sp/>case</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="658"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="659"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" kindref="member">calc_type_gradient_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="660"><highlight class="normal"></highlight></codeline>
 <codeline lineno="661"><highlight class="normal"></highlight></codeline>
-<codeline lineno="662"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Find<sp/>grid<sp/>indices<sp/>in<sp/>one<sp/>dimension<sp/>that<sp/>bound<sp/>an<sp/>atom&apos;s<sp/>density.</highlight></codeline>
-<codeline lineno="663"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid_origin<sp/>grid<sp/>min<sp/>coordinate<sp/>in<sp/>a<sp/>given<sp/>dimension</highlight></codeline>
-<codeline lineno="664"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coord<sp/>atom<sp/>coordinate<sp/>in<sp/>the<sp/>same<sp/>dimension</highlight></codeline>
-<codeline lineno="665"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>densityrad<sp/>atomic<sp/>density<sp/>radius<sp/>(N.B.<sp/>this<sp/>is<sp/>not<sp/>the<sp/>atomic<sp/>radius)</highlight></codeline>
-<codeline lineno="666"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>indices<sp/>of<sp/>grid<sp/>points<sp/>in<sp/>the<sp/>same<sp/>dimension<sp/>that<sp/>could</highlight></codeline>
-<codeline lineno="667"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>possibly<sp/>overlap<sp/>atom<sp/>density</highlight></codeline>
-<codeline lineno="668"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="669"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/>uint2<sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kindref="member">get_bounds_1d</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grid_origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>coord,</highlight></codeline>
-<codeline lineno="670"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad)<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="671"><highlight class="normal"></highlight></codeline>
-<codeline lineno="672"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Calculate<sp/>atom<sp/>density<sp/>at<sp/>a<sp/>grid<sp/>point.</highlight></codeline>
-<codeline lineno="673"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ax<sp/>atomic<sp/>coord<sp/>x</highlight></codeline>
-<codeline lineno="674"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ay<sp/>atomic<sp/>coord<sp/>y<sp/></highlight></codeline>
-<codeline lineno="675"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>az<sp/>atomic<sp/>coord<sp/>z</highlight></codeline>
-<codeline lineno="676"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ar<sp/>atomic<sp/>radius</highlight></codeline>
-<codeline lineno="677"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid_coords<sp/>grid<sp/>point<sp/>coords</highlight></codeline>
-<codeline lineno="678"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom<sp/>density</highlight></codeline>
-<codeline lineno="679"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="680"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary&gt;</highlight></codeline>
-<codeline lineno="681"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar,</highlight></codeline>
-<codeline lineno="682"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>float3&amp;<sp/>grid_coords)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="683"><highlight class="normal"></highlight></codeline>
-<codeline lineno="684"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density<sp/>with<sp/>respect<sp/>to<sp/>distance</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="685"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d" kindref="member">density_grad_dist</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="686"><highlight class="normal"></highlight></codeline>
+<codeline lineno="662"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//calculate<sp/>atomic<sp/>relevance<sp/>for<sp/>single<sp/>atom<sp/>-<sp/>cpu</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="663"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="664"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kindref="member">calc_atom_relevance_cpu</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_origin,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Grid1f&amp;<sp/>coord,<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>density,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 3, false&gt;</ref>&amp;<sp/>diff,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="665"><highlight class="normal"></highlight></codeline>
+<codeline lineno="666"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Find<sp/>grid<sp/>indices<sp/>in<sp/>one<sp/>dimension<sp/>that<sp/>bound<sp/>an<sp/>atom&apos;s<sp/>density.</highlight></codeline>
+<codeline lineno="667"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid_origin<sp/>grid<sp/>min<sp/>coordinate<sp/>in<sp/>a<sp/>given<sp/>dimension</highlight></codeline>
+<codeline lineno="668"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>coord<sp/>atom<sp/>coordinate<sp/>in<sp/>the<sp/>same<sp/>dimension</highlight></codeline>
+<codeline lineno="669"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>densityrad<sp/>atomic<sp/>density<sp/>radius<sp/>(N.B.<sp/>this<sp/>is<sp/>not<sp/>the<sp/>atomic<sp/>radius)</highlight></codeline>
+<codeline lineno="670"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>indices<sp/>of<sp/>grid<sp/>points<sp/>in<sp/>the<sp/>same<sp/>dimension<sp/>that<sp/>could</highlight></codeline>
+<codeline lineno="671"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>possibly<sp/>overlap<sp/>atom<sp/>density</highlight></codeline>
+<codeline lineno="672"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="673"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="structuint2" kindref="compound">uint2</ref><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kindref="member">get_bounds_1d</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>grid_origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>coord,</highlight></codeline>
+<codeline lineno="674"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>densityrad)<sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="675"><highlight class="normal"></highlight></codeline>
+<codeline lineno="676"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Calculate<sp/>atom<sp/>density<sp/>at<sp/>a<sp/>grid<sp/>point.</highlight></codeline>
+<codeline lineno="677"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ax<sp/>atomic<sp/>coord<sp/>x</highlight></codeline>
+<codeline lineno="678"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ay<sp/>atomic<sp/>coord<sp/>y<sp/></highlight></codeline>
+<codeline lineno="679"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>az<sp/>atomic<sp/>coord<sp/>z</highlight></codeline>
+<codeline lineno="680"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>ar<sp/>atomic<sp/>radius</highlight></codeline>
+<codeline lineno="681"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>grid_coords<sp/>grid<sp/>point<sp/>coords</highlight></codeline>
+<codeline lineno="682"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[out]<sp/>atom<sp/>density</highlight></codeline>
+<codeline lineno="683"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="684"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>Binary&gt;</highlight></codeline>
+<codeline lineno="685" refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kindref="member">calc_point</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar,</highlight></codeline>
+<codeline lineno="686"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>grid_coords)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="687"><highlight class="normal"></highlight></codeline>
-<codeline lineno="688"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density<sp/>type<sp/>grad<sp/>with<sp/>respect<sp/>to<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="689"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" kindref="member">type_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
+<codeline lineno="688"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density<sp/>with<sp/>respect<sp/>to<sp/>distance</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="689"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" kindref="member">density_grad_dist</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ar)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="690"><highlight class="normal"></highlight></codeline>
-<codeline lineno="691"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density_grad_dist<sp/>-<sp/>does<sp/>not<sp/>include<sp/>tmult<sp/>or<sp/>G</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="692"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" kindref="member">atom_density_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
-<codeline lineno="693"><highlight class="normal"></highlight></codeline>
-<codeline lineno="694"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density_grad_dist<sp/>with<sp/>respect<sp/>to<sp/>different<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="695"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kindref="member">atom_density_grad_grad_other</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>b,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
-<codeline lineno="696"><highlight class="normal"></highlight></codeline>
-<codeline lineno="697"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>gradient<sp/>from<sp/>grid<sp/>point<sp/>x,y,z<sp/>for<sp/>provided<sp/>atom<sp/>at<sp/>ax,ay,az</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="698"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa" kindref="member">accumulate_atom_gradient</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,</highlight></codeline>
-<codeline lineno="699"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gridval,<sp/>float3&amp;<sp/>agrad)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="691"><highlight class="normal"></highlight></codeline>
+<codeline lineno="692"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density<sp/>type<sp/>grad<sp/>with<sp/>respect<sp/>to<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="693"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kindref="member">type_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
+<codeline lineno="694"><highlight class="normal"></highlight></codeline>
+<codeline lineno="695"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density_grad_dist<sp/>-<sp/>does<sp/>not<sp/>include<sp/>tmult<sp/>or<sp/>G</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="696"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kindref="member">atom_density_grad_grad</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
+<codeline lineno="697"><highlight class="normal"></highlight></codeline>
+<codeline lineno="698"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//derivative<sp/>of<sp/>density_grad_dist<sp/>with<sp/>respect<sp/>to<sp/>different<sp/>coord</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="699"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kindref="member">atom_density_grad_grad_other</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>b,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>dist,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>r);</highlight></codeline>
 <codeline lineno="700"><highlight class="normal"></highlight></codeline>
-<codeline lineno="701"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/></highlight><highlight class="comment">//member<sp/>functions<sp/>don&apos;t<sp/>kernel<sp/>launch</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="702"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a78e5d71de887018422348e93cb5b23aa" kindref="member">set_atom_gradients</ref>(<ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref><sp/>G,<sp/>float3<sp/>grid_center,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid1fCUDA<sp/>type_index,</highlight></codeline>
-<codeline lineno="703"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients);</highlight></codeline>
-<codeline lineno="704"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="705"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a0f8e4c693386a6b58e6214dbf5d6bc24" kindref="member">set_atom_type_gradients</ref>(<ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref><sp/>G,<sp/>float3<sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid2fCUDA<sp/>type_vector,</highlight></codeline>
-<codeline lineno="706"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients,</highlight></codeline>
-<codeline lineno="707"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_gradients);</highlight></codeline>
-<codeline lineno="708"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="709"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a946f6c876cf2f5c56798d87eb0064826" kindref="member">set_atom_type_grad_grad</ref>(<ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref><sp/>G,<sp/>float3<sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid2fCUDA<sp/>type_vector,</highlight></codeline>
-<codeline lineno="710"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients,</highlight></codeline>
-<codeline lineno="711"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_diffdiff,</highlight></codeline>
-<codeline lineno="712"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_diffdiff);</highlight></codeline>
-<codeline lineno="713"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="714"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1a444de74b426b899118ea5e869b0387c6" kindref="member">set_atom_relevance</ref>(<ref refid="classlibmolgrid_1_1GridMaker" kindref="compound">GridMaker</ref><sp/>G,<sp/>float3<sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid1fCUDA<sp/>type_index,</highlight></codeline>
-<codeline lineno="715"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>densitygrid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diffgrid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref><sp/>relevance);</highlight></codeline>
-<codeline lineno="716"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="717"><highlight class="normal"></highlight></codeline>
-<codeline lineno="718"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="719"><highlight class="normal"></highlight></codeline>
-<codeline lineno="720"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>GRID_MAKER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="701"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//accumulate<sp/>gradient<sp/>from<sp/>grid<sp/>point<sp/>x,y,z<sp/>for<sp/>provided<sp/>atom<sp/>at<sp/>ax,ay,az</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="702"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" kindref="member">accumulate_atom_gradient</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ax,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>ay,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>az,</highlight></codeline>
+<codeline lineno="703"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>x,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>y,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>z,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>radius,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>gridval,<sp/><ref refid="structfloat3" kindref="compound">float3</ref>&amp;<sp/>agrad)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="704"><highlight class="normal"></highlight></codeline>
+<codeline lineno="705"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="706"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="707"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>set_atom_gradients(<ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref><sp/>G,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_center,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid1fCUDA<sp/>type_index,</highlight></codeline>
+<codeline lineno="708"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients);</highlight></codeline>
+<codeline lineno="709"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="710"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>set_atom_type_gradients(<ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref><sp/>G,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid2fCUDA<sp/>type_vector,</highlight></codeline>
+<codeline lineno="711"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>grid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients,</highlight></codeline>
+<codeline lineno="712"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_gradients);</highlight></codeline>
+<codeline lineno="713"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>RadiiFromTypes&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="714"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>set_atom_type_grad_grad(<ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref><sp/>G,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid2fCUDA<sp/>type_vector,</highlight></codeline>
+<codeline lineno="715"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_gradients,</highlight></codeline>
+<codeline lineno="716"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_gradients,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diffdiff,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>atom_diffdiff,</highlight></codeline>
+<codeline lineno="717"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref><sp/>type_diffdiff);</highlight></codeline>
+<codeline lineno="718"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;<sp/>__global__<sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="719"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>set_atom_relevance(<ref refid="classlibmolgrid_1_1GridMaker_1a4f87ba432edc3a923341b56c48955533" kindref="member">GridMaker</ref><sp/>G,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,<sp/>Grid2fCUDA<sp/>coords,<sp/>Grid1fCUDA<sp/>type_index,</highlight></codeline>
+<codeline lineno="720"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>Grid1fCUDA<sp/>radii,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>densitygrid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 4, true&gt;</ref><sp/>diffgrid,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 1, true&gt;</ref><sp/>relevance);</highlight></codeline>
+<codeline lineno="721"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="722"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="723"><highlight class="normal"></highlight></codeline>
+<codeline lineno="724"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="725"><highlight class="normal"></highlight></codeline>
+<codeline lineno="726"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>GRID_MAKER_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_maker.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_maker.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/index.xml b/docs/cpp/xml/index.xml
index 5fd7d6f9..7a62d697 100644
--- a/docs/cpp/xml/index.xml
+++ b/docs/cpp/xml/index.xml
@@ -1,21 +1,21 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygenindex xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="index.xsd" version="1.8.17">
+<doxygenindex xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="index.xsd" version="1.16.1" xml:lang="en-US">
   <compound refid="classlibmolgrid_1_1AtomIndexTypeMapper" kind="class"><name>libmolgrid::AtomIndexTypeMapper</name>
     <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a5d3f8f728d969e963cc44c9d3defa807" kind="function"><name>AtomIndexTypeMapper</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a9a71966fb965d0dc1c133c75f8be0359" kind="function"><name>~AtomIndexTypeMapper</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1ad493bf80b659abb6e401d7fee5c8231a" kind="function"><name>num_types</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1a84e5366fb6c4b143c6d05c51785fd6a6" kind="function"><name>get_new_type</name></member>
-    <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aedda205572fbbaa3a868181802232263" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1AtomIndexTypeMapper_1aecf2fc9112a4b78004c4b37538b037b8" kind="function"><name>get_type_names</name></member>
   </compound>
   <compound refid="classlibmolgrid_1_1AtomIndexTyper" kind="class"><name>libmolgrid::AtomIndexTyper</name>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae7dde92cf35e2c63afde3176cafcbda3" kind="function"><name>AtomIndexTyper</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1a3a023938558392b20fba9fea9971016a" kind="function"><name>~AtomIndexTyper</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae503ecbf9ca173356ef6e475597e2b46" kind="function"><name>num_types</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4f56173834b1bf3f850e5cb9880eaeea" kind="function"><name>get_atom_type_vector</name></member>
-    <member refid="classlibmolgrid_1_1AtomIndexTyper_1ad802287783424562d69b6ce6a118a7da" kind="function"><name>get_atom_type_index</name></member>
-    <member refid="classlibmolgrid_1_1AtomIndexTyper_1a6b076295fcb7c38c547345e1992fe342" kind="function"><name>get_int_type</name></member>
-    <member refid="classlibmolgrid_1_1AtomIndexTyper_1aedda205572fbbaa3a868181802232263" kind="function"><name>get_type_names</name></member>
-    <member refid="classlibmolgrid_1_1AtomIndexTyper_1a4e0b27a6f69f970eeb4d5eb4793ebbe2" kind="function"><name>get_type_radii</name></member>
+    <member refid="classlibmolgrid_1_1AtomIndexTyper_1aa1bd5705bae5f9e29e21c1fba99ef31d" kind="function"><name>get_atom_type_index</name></member>
+    <member refid="classlibmolgrid_1_1AtomIndexTyper_1a510155d15c5ea29cec150893e8c6b11b" kind="function"><name>get_int_type</name></member>
+    <member refid="classlibmolgrid_1_1AtomIndexTyper_1aecf2fc9112a4b78004c4b37538b037b8" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1AtomIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kind="function"><name>get_type_radii</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1a38a567b5922504c0767ac0dcdff287f5" kind="function"><name>is_vector_typer</name></member>
     <member refid="classlibmolgrid_1_1AtomIndexTyper_1a50bdca9ea03cabe38347121b8ef98cad" kind="function"><name>set_names</name></member>
   </compound>
@@ -24,21 +24,21 @@
     <member refid="classlibmolgrid_1_1AtomTyper_1a7fdb3f1fa76c8e3f6fdcddea4f144541" kind="function"><name>~AtomTyper</name></member>
     <member refid="classlibmolgrid_1_1AtomTyper_1ad493bf80b659abb6e401d7fee5c8231a" kind="function"><name>num_types</name></member>
     <member refid="classlibmolgrid_1_1AtomTyper_1a831a48238388829d1fae97d002719674" kind="function"><name>get_atom_type_vector</name></member>
-    <member refid="classlibmolgrid_1_1AtomTyper_1ada10bf195e09de3a351bc4a4649ac629" kind="function"><name>get_atom_type_index</name></member>
-    <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" kind="function"><name>get_int_type</name></member>
-    <member refid="classlibmolgrid_1_1AtomTyper_1aacde71a2d28fc736c3d43da006f3a1c6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1AtomTyper_1a862f035f63458025dc2e55be4409eb2d" kind="function"><name>get_atom_type_index</name></member>
+    <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kind="function"><name>get_int_type</name></member>
+    <member refid="classlibmolgrid_1_1AtomTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kind="function"><name>get_type_names</name></member>
     <member refid="classlibmolgrid_1_1AtomTyper_1a38a567b5922504c0767ac0dcdff287f5" kind="function"><name>is_vector_typer</name></member>
   </compound>
   <compound refid="classlibmolgrid_1_1AtomVectorTyper" kind="class"><name>libmolgrid::AtomVectorTyper</name>
     <member refid="classlibmolgrid_1_1AtomVectorTyper_1a7ed73ccec80b6ea1c07199ca32d9beb9" kind="function"><name>AtomVectorTyper</name></member>
     <member refid="classlibmolgrid_1_1AtomVectorTyper_1ae1c414ec51b7e27172d2adaadbca7312" kind="function"><name>~AtomVectorTyper</name></member>
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-    <member refid="classlibmolgrid_1_1AtomVectorTyper_1a4dfe192d310ab34f1ca2c4a86bcad367" kind="function"><name>get_atom_type_index</name></member>
+    <member refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" kind="function"><name>get_atom_type_index</name></member>
     <member refid="classlibmolgrid_1_1AtomVectorTyper_1a2fde235edc45f68d00bde38ee8620646" kind="function"><name>get_atom_type_vector</name></member>
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-    <member refid="classlibmolgrid_1_1AtomVectorTyper_1aedda205572fbbaa3a868181802232263" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" kind="function"><name>get_vector_type_radii</name></member>
+    <member refid="classlibmolgrid_1_1AtomVectorTyper_1aecf2fc9112a4b78004c4b37538b037b8" kind="function"><name>get_type_names</name></member>
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-    <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" kind="function"><name>get_int_type</name></member>
+    <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kind="function"><name>get_int_type</name></member>
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@@ -73,10 +73,10 @@
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+    <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a862f035f63458025dc2e55be4409eb2d" kind="function"><name>get_atom_type_index</name></member>
+    <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kind="function"><name>get_int_type</name></member>
+    <member refid="classlibmolgrid_1_1CallbackIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1CallbackIndexTyper_1ae6a69267ce249ed06591d18cb4fdcbec" kind="function"><name>get_type_radii</name></member>
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@@ -88,11 +88,11 @@
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+    <member refid="classlibmolgrid_1_1CallbackVectorTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1AtomVectorTyper_1a0db5af4a10eb038d24e2108a69c87265" kind="function"><name>get_atom_type_index</name></member>
+    <member refid="classlibmolgrid_1_1AtomVectorTyper_1a273d09cd262b64d270a84156b4427e49" kind="function"><name>get_vector_type_radii</name></member>
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-    <member refid="classlibmolgrid_1_1AtomTyper_1ae263d436c69186ad062ad5339d1d8727" kind="function"><name>get_int_type</name></member>
+    <member refid="classlibmolgrid_1_1AtomTyper_1a9c70fd4fb551f4ec8f79b47111c53b5e" kind="function"><name>get_int_type</name></member>
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@@ -104,14 +104,14 @@
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-    <member refid="classlibmolgrid_1_1CartesianGrid_1a0607e252120004f8a88368e62d618064" kind="function"><name>grid</name></member>
+    <member refid="classlibmolgrid_1_1CartesianGrid_1a1e8a1372d5531b45d5c269268123ed83" kind="function"><name>grid</name></member>
+    <member refid="classlibmolgrid_1_1CartesianGrid_1a53beb162fbf8e954513ba6f2e563dd74" kind="function"><name>grid</name></member>
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   <compound refid="classlibmolgrid_1_1CoordCache" kind="class"><name>libmolgrid::CoordCache</name>
-    <member refid="classlibmolgrid_1_1CoordCache_1a26079d27843c58af8220e0d5d49e4056" kind="typedef"><name>MemCache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a353a0b494afe224341d8e89354d896e6" kind="typedef"><name>MemCache</name></member>
     <member refid="classlibmolgrid_1_1CoordCache_1a5e74f976e6402517f21467ce965bd5ef" kind="variable"><name>memcache</name></member>
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@@ -120,13 +120,18 @@
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-    <member refid="classlibmolgrid_1_1CoordCache_1a67d8a5ef81433ec9e7406661d0cfb85f" kind="variable"><name>offsets</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1ad0fa9a24424779115ba16fd14c626c00" kind="variable"><name>offsets</name></member>
     <member refid="classlibmolgrid_1_1CoordCache_1a02363fd28a6431c1eb8a46c1340aaece" kind="function"><name>CoordCache</name></member>
-    <member refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" kind="function"><name>CoordCache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67" kind="function"><name>CoordCache</name></member>
     <member refid="classlibmolgrid_1_1CoordCache_1a9cdfbc68dbe411b99f4182e7cfd14733" kind="function"><name>~CoordCache</name></member>
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-    <member refid="classlibmolgrid_1_1CoordCache_1a2babcd45f89ff67b4b4887f7ba469ae6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1ab179299d9dc6bb3a4bfe868fd60882a6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a15dc29d5f9d04fa1839cd98c706cb6b2" kind="function"><name>save_mem_cache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1af91dcf2cb1b47eab4bd0b2dad4441cc5" kind="function"><name>save_mem_cache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" kind="function"><name>load_mem_cache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a229a267f94d8bc474670f874a9ceb61b" kind="function"><name>load_mem_cache</name></member>
+    <member refid="classlibmolgrid_1_1CoordCache_1a6d14269e1fbeb337751306c093f7b853" kind="function"><name>mem_cache_size</name></member>
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@@ -135,6 +140,7 @@
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     <member refid="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" kind="variable"><name>src</name></member>
+    <member refid="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" kind="friend"><name>boost::serialization::access</name></member>
     <member refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kind="function"><name>CoordinateSet</name></member>
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@@ -165,6 +171,12 @@
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     <member refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" kind="function"><name>dump</name></member>
+    <member refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" kind="function"><name>serialize</name></member>
+  </compound>
+  <compound refid="structdouble3" kind="struct"><name>double3</name>
+    <member refid="structdouble3_1af88b946fb90d5f08b5fb740c70e98c10" kind="variable"><name>x</name></member>
+    <member refid="structdouble3_1ab927965981178aa1fba979a37168db2a" kind="variable"><name>y</name></member>
+    <member refid="structdouble3_1ab3e6ed577a7c669c19de1f9c1b46c872" kind="variable"><name>z</name></member>
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@@ -215,9 +227,9 @@
     <member refid="classlibmolgrid_1_1ExampleDataset_1af9aa38f73a7aa43fa0ba78d05d9c20fe" kind="function"><name>populate</name></member>
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-    <member refid="classlibmolgrid_1_1ExampleDataset_1a82e186f5abfa7cb53a59487bda88a785" kind="function"><name>settings</name></member>
+    <member refid="classlibmolgrid_1_1ExampleDataset_1a5b38285db666f935f2e01dbc05c628ae" kind="function"><name>settings</name></member>
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-    <member refid="classlibmolgrid_1_1ExampleDataset_1a2babcd45f89ff67b4b4887f7ba469ae6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1ExampleDataset_1ab179299d9dc6bb3a4bfe868fd60882a6" kind="function"><name>get_type_names</name></member>
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@@ -232,6 +244,11 @@
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     <member refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1ExampleExtractor_1aafedfebfbd82487314d815b97036d002" kind="function"><name>save_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleExtractor_1a6e366b026167d1b1d7e3ffd05560cb9a" kind="function"><name>save_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleExtractor_1ad79b0093b37077f535333bd1a7cf5f52" kind="function"><name>load_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleExtractor_1a8e87535493172af28ff7228f3682d4bd" kind="function"><name>load_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleExtractor_1a219a3e7bce843157f60811febbc07771" kind="function"><name>mem_caches_size</name></member>
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   <compound refid="classlibmolgrid_1_1ExampleProvider" kind="class"><name>libmolgrid::ExampleProvider</name>
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@@ -256,15 +273,20 @@
     <member refid="classlibmolgrid_1_1ExampleProvider_1ac2a4bfd5fd0579c2377a181a7bae1395" kind="function"><name>large_epoch_size</name></member>
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     <member refid="classlibmolgrid_1_1ExampleProvider_1a77aacd8e83562f61b7b39ba3444c1d25" kind="function"><name>skip</name></member>
-    <member refid="classlibmolgrid_1_1ExampleProvider_1a82e186f5abfa7cb53a59487bda88a785" kind="function"><name>settings</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a5b38285db666f935f2e01dbc05c628ae" kind="function"><name>settings</name></member>
     <member refid="classlibmolgrid_1_1ExampleProvider_1adb4bb0435e9db0c63c1c7938385939a0" kind="function"><name>next_batch</name></member>
-    <member refid="classlibmolgrid_1_1ExampleProvider_1ab2babf03d01c24c15a476d1e200a2de4" kind="function"><name>next_batch</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a4c0f1a311fd08ee48df351aecdf20218" kind="function"><name>next_batch</name></member>
     <member refid="classlibmolgrid_1_1ExampleProvider_1aa8f9b78a17a8e8cd4662da2901fc77af" kind="function"><name>at_new_epoch</name></member>
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-    <member refid="classlibmolgrid_1_1ExampleProvider_1a0f174b60e8abb4557df194fd0ece1610" kind="function"><name>get_provider</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a3dea985760dc5b12d84effabb51a2473" kind="function"><name>get_extractor</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1ab0bc5ee388ebb995456eeca5611e8c64" kind="function"><name>get_provider</name></member>
     <member refid="classlibmolgrid_1_1ExampleProvider_1a59b7170f88e4d8d17e9f4eb5e3d62712" kind="function"><name>num_types</name></member>
-    <member refid="classlibmolgrid_1_1ExampleProvider_1a2babcd45f89ff67b4b4887f7ba469ae6" kind="function"><name>get_type_names</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1ab179299d9dc6bb3a4bfe868fd60882a6" kind="function"><name>get_type_names</name></member>
     <member refid="classlibmolgrid_1_1ExampleProvider_1a259cb5a711406a8c3e5d937eb9350cca" kind="function"><name>size</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1aafedfebfbd82487314d815b97036d002" kind="function"><name>save_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a6e366b026167d1b1d7e3ffd05560cb9a" kind="function"><name>save_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1ad79b0093b37077f535333bd1a7cf5f52" kind="function"><name>load_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a8e87535493172af28ff7228f3682d4bd" kind="function"><name>load_mem_caches</name></member>
+    <member refid="classlibmolgrid_1_1ExampleProvider_1a219a3e7bce843157f60811febbc07771" kind="function"><name>mem_caches_size</name></member>
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@@ -305,7 +327,7 @@
     <member refid="classlibmolgrid_1_1FileAtomMapper_1a4f9602176f27630df390aedc8d5f5614" kind="function"><name>~FileAtomMapper</name></member>
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+  </compound>
+  <compound refid="structlibmolgrid_1_1GridDesc" kind="struct"><name>libmolgrid::GridDesc</name>
+    <member refid="structlibmolgrid_1_1GridDesc_1a7feefe7e22efd624e1da84c82e6f87a5" kind="variable"><name>ptr</name></member>
+    <member refid="structlibmolgrid_1_1GridDesc_1a3363690fae3830a143379aa6c835a20c" kind="variable"><name>dim</name></member>
+    <member refid="structlibmolgrid_1_1GridDesc_1a0e30e5b31f45abcf7be8a77dd750795c" kind="variable"><name>off</name></member>
+    <member refid="structlibmolgrid_1_1GridDesc_1a5d8c6aebb8eed92404c66479c85740b6" kind="variable"><name>ndim</name></member>
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   <compound refid="classlibmolgrid_1_1GridInterpolater" kind="class"><name>libmolgrid::GridInterpolater</name>
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@@ -505,10 +547,7 @@
     <member refid="classlibmolgrid_1_1GridInterpolater_1a07021960a6559f9f20de793a184e37ec" kind="variable"><name>out_dimension</name></member>
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     <member refid="classlibmolgrid_1_1GridInterpolater_1aab5c646312537b0a24a568d860f22027" kind="variable"><name>out_dim</name></member>
-    <member refid="classlibmolgrid_1_1GridInterpolater_1aff68190c6ea2608819bc6e3dbdadbe3d" kind="variable"><name>cuArray</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1a169b99d2f9026e906fca800564aa0a83" kind="function"><name>checkGrids</name></member>
-    <member refid="classlibmolgrid_1_1GridInterpolater_1a49d6bf9a3927ef3cd5b416740b0b94a9" kind="function"><name>initializeTexture</name></member>
-    <member refid="classlibmolgrid_1_1GridInterpolater_1a69399c8f851326511a48b1f1e93513e7" kind="function"><name>clearTexture</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1a57b3b8e4c3e77451f20e61675c6d97eb" kind="function"><name>GridInterpolater</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1aec1c636721028d75e98f9b57288a326f" kind="function"><name>~GridInterpolater</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1afa8559f73788fd07d2e52407ff526bef" kind="function"><name>get_in_resolution</name></member>
@@ -527,6 +566,8 @@
     <member refid="classlibmolgrid_1_1GridInterpolater_1a82e555c9410eb768286054e7bca5bd4b" kind="function"><name>forward</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1a830870c1426798fd15f7ad995b7c6fdb" kind="function"><name>get_pt</name></member>
     <member refid="classlibmolgrid_1_1GridInterpolater_1a5a49595c46112078957ab4a6ffa0287d" kind="function"><name>interpolate</name></member>
+    <member refid="classlibmolgrid_1_1GridInterpolater_1a64f8f349043aa37ffa3a5ad40aabeef7" kind="function"><name>get_pt</name></member>
+    <member refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" kind="function"><name>interpolate</name></member>
   </compound>
   <compound refid="classlibmolgrid_1_1GridMaker" kind="class"><name>libmolgrid::GridMaker</name>
     <member refid="classlibmolgrid_1_1GridMaker_1a4333d786c60465d20826583358b2798d" kind="variable"><name>resolution</name></member>
@@ -590,17 +631,30 @@
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     <member refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" kind="function"><name>calc_atom_relevance_cpu</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1ae721daa109c679340ca12adfffe025b0" kind="function"><name>get_bounds_1d</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" kind="function"><name>get_bounds_1d</name></member>
     <member refid="classlibmolgrid_1_1GridMaker_1a40637d5466c6816cc0a6975f40bc6302" kind="function"><name>calc_point</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a8bc3b4646b82d504a7153b3107a59a5d" kind="function"><name>density_grad_dist</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1adee1cf18ef5d11f91b77cff05e864f5f" kind="function"><name>type_grad_grad</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a91df66765739dee62901169541cb783f" kind="function"><name>atom_density_grad_grad</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1af8321ed53835f95eb2d00a7d84248076" kind="function"><name>atom_density_grad_grad_other</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a891c950dd3b8e06ed6f4305d39f412aa" kind="function"><name>accumulate_atom_gradient</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a78e5d71de887018422348e93cb5b23aa" kind="friend"><name>set_atom_gradients</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a0f8e4c693386a6b58e6214dbf5d6bc24" kind="friend"><name>set_atom_type_gradients</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a946f6c876cf2f5c56798d87eb0064826" kind="friend"><name>set_atom_type_grad_grad</name></member>
-    <member refid="classlibmolgrid_1_1GridMaker_1a444de74b426b899118ea5e869b0387c6" kind="friend"><name>set_atom_relevance</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1ae36ef56a92b93533c691dac2b2521dfa" kind="function"><name>density_grad_dist</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1abd3bafbe64129c1ec4a36434bb26aef4" kind="function"><name>type_grad_grad</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1abd29a4b20168c2f6f2a884b4b721accc" kind="function"><name>atom_density_grad_grad</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1abe7b33b114b165d0f1c2bba8bcbd31cf" kind="function"><name>atom_density_grad_grad_other</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" kind="function"><name>accumulate_atom_gradient</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" kind="function"><name>calc_point</name></member>
+    <member refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" kind="function"><name>calc_point</name></member>
+  </compound>
+  <compound refid="structlibmolgrid_1_1GridMakerParams" kind="struct"><name>libmolgrid::GridMakerParams</name>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a4333d786c60465d20826583358b2798d" kind="variable"><name>resolution</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a89e0bef89186145cd5f5a1d2d1ab3b15" kind="variable"><name>dimension</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a274d43680ceffb680b2edcf6fd36dd22" kind="variable"><name>radius_scale</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a742dd8c218dd065c02d905dd69649d81" kind="variable"><name>gaussian_radius_multiple</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a780e58b160ad2d376bbd4df1dfa59ae5" kind="variable"><name>final_radius_multiple</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1ad0fae016647bf6b083c331ca152b50e1" kind="variable"><name>A</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a8188fea1f6709096fe21a3ee084d00d0" kind="variable"><name>B</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1ad12b105c602c51bd04d7763f600688cc" kind="variable"><name>C</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1aa6702f5ca985a5b97e1534be9d374bba" kind="variable"><name>D</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kind="variable"><name>E</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1aece1bc3fff4b670afc08354a6d995a0e" kind="variable"><name>dim</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1aabf0455a121a78c3321a8cb78bb5cbc0" kind="variable"><name>binary</name></member>
+    <member refid="structlibmolgrid_1_1GridMakerParams_1af595bd59e2468eef370e3d4c14bcec13" kind="variable"><name>radii_type_indexed</name></member>
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@@ -643,15 +697,72 @@
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   </compound>
+  <compound refid="structint2" kind="struct"><name>int2</name>
+    <member refid="structint2_1a6150e0515f7202e2fb518f7206ed97dc" kind="variable"><name>x</name></member>
+    <member refid="structint2_1a0a2f84ed7838f07779ae24c5a9086d33" kind="variable"><name>y</name></member>
+  </compound>
+  <compound refid="structint3" kind="struct"><name>int3</name>
+    <member refid="structint3_1a6150e0515f7202e2fb518f7206ed97dc" kind="variable"><name>x</name></member>
+    <member refid="structint3_1a0a2f84ed7838f07779ae24c5a9086d33" kind="variable"><name>y</name></member>
+    <member refid="structint3_1a14f94e529dff0b8bfba8e16fbe9755d6" kind="variable"><name>z</name></member>
+  </compound>
   <compound refid="classlibmolgrid_1_1ManagedGrid" kind="class"><name>libmolgrid::ManagedGrid</name>
-    <member refid="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024" kind="typedef"><name>subgrid_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" kind="typedef"><name>subgrid_t</name></member>
     <member refid="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" kind="typedef"><name>base_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kind="typedef"><name>gpu_grid_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kind="typedef"><name>cpu_grid_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kind="typedef"><name>type</name></member>
     <member refid="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" kind="variable"><name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kind="variable"><name>gpu_grid</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kind="variable"><name>cpu_grid</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kind="variable"><name>cpu_ptr</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kind="variable"><name>capacity</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kind="variable"><name>gpu_info</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" kind="variable"><name>ManagedGridBase&lt; Dtype, NumDims - 1 &gt;</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kind="function"><name>ManagedGrid</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" kind="function"><name>ManagedGrid</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kind="function"><name>alloc_and_set_cpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kind="function"><name>clone_ptrs</name></member>
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-    <member refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" kind="function"><name>ManagedGrid</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" kind="function"><name>clone</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b" kind="function"><name>save</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" kind="function"><name>load</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" kind="function"><name>dimensions</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" kind="function"><name>dimension</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" kind="function"><name>offsets</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kind="function"><name>offset</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kind="function"><name>size</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" kind="function"><name>fill_zero</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" kind="function"><name>operator()</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" kind="function"><name>operator()</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kind="function"><name>copyTo</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" kind="function"><name>copyTo</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" kind="function"><name>copyTo</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kind="function"><name>copyFrom</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" kind="function"><name>copyFrom</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" kind="function"><name>copyFrom</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" kind="function"><name>copyInto</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" kind="function"><name>resized</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" kind="function"><name>gpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" kind="function"><name>gpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" kind="function"><name>cpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" kind="function"><name>cpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kind="function"><name>togpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kind="function"><name>tocpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kind="function"><name>ongpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" kind="function"><name>oncpu</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" kind="function"><name>operator cpu_grid_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" kind="function"><name>operator cpu_grid_t &amp;</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" kind="function"><name>operator gpu_grid_t</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" kind="function"><name>operator gpu_grid_t &amp;</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kind="function"><name>data</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" kind="function"><name>data</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" kind="function"><name>operator==</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kind="typedef"><name>buffer_data</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" kind="variable"><name>N</name></member>
+    <member refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kind="function"><name>delete_buffer</name></member>
   </compound>
   <compound refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kind="class"><name>libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</name>
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@@ -660,26 +771,29 @@
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+    <member refid="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" kind="variable"><name>ManagedGrid&lt; Dtype, NumDims+1 &gt;</name></member>
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+    <member refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" kind="function"><name>inverse</name></member>
+  </compound>
+  <compound refid="structlibmolgrid_1_1QuatParams" kind="struct"><name>libmolgrid::QuatParams</name>
+    <member refid="structlibmolgrid_1_1QuatParams_1a4aec1a5be9d9a4a394a2e49e9744286e" kind="variable"><name>a</name></member>
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+    <member refid="structlibmolgrid_1_1QuatParams_1ae78103ab33f03590e84ff7bc735629d7" kind="variable"><name>c</name></member>
+    <member refid="structlibmolgrid_1_1QuatParams_1a3fbbd8a3959e76a2bc3455d3bade52dc" kind="variable"><name>d</name></member>
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@@ -871,7 +1010,7 @@
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-    <member refid="classlibmolgrid_1_1StringCache_1ae455591e43349bd3ef26f574a6ea2ecd" kind="function"><name>get</name></member>
+    <member refid="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4" kind="function"><name>get</name></member>
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@@ -882,7 +1021,7 @@
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+    <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kind="function"><name>get_type_names</name></member>
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@@ -910,13 +1046,10 @@
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+    <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a862f035f63458025dc2e55be4409eb2d" kind="function"><name>get_atom_type_index</name></member>
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+    <member refid="classlibmolgrid_1_1MappedAtomIndexTyper_1a3999bdeddc394aaa8d6e1cd8c3166b77" kind="function"><name>get_type_names</name></member>
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@@ -934,10 +1067,10 @@
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-    <member refid="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84" kind="function"><name>get_quaternion</name></member>
+    <member refid="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f" kind="function"><name>backward</name></member>
+    <member refid="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" kind="function"><name>get_quaternion</name></member>
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@@ -946,6 +1079,15 @@
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     <member refid="classlibmolgrid_1_1Transform_1a7fdaab395dcced8aaa593873bfe85cfd" kind="function"><name>checkGrids</name></member>
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+  <compound refid="structuint2" kind="struct"><name>uint2</name>
+    <member refid="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" kind="variable"><name>x</name></member>
+    <member refid="structuint2_1ac30de26db5f6d1c18c63913729adca7d" kind="variable"><name>y</name></member>
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+    <member refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" kind="function"><name>sqDistance</name></member>
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   <compound refid="namespaceOpenBabel" kind="namespace"><name>OpenBabel</name>
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   <compound refid="namespacestd" kind="namespace"><name>std</name>
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-  <compound refid="atom__typer_8cpp" kind="file"><name>atom_typer.cpp</name>
-    <member refid="atom__typer_8cpp_1a78330d529d08063ad8c2f846591bf62b" kind="define"><name>GET_SYMBOL</name></member>
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     <member refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kind="define"><name>LMG_CUDA_CHECK</name></member>
-  </compound>
-  <compound refid="coord__cache_8cpp" kind="file"><name>coord_cache.cpp</name>
+    <member refid="common_8h_1afcbdb49f29f7718a4b6690e5389551fb" kind="function"><name>make_float2</name></member>
+    <member refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kind="function"><name>make_float3</name></member>
+    <member refid="common_8h_1ac6a8d5ade69f09f2562c8ebefb998543" kind="function"><name>make_float4</name></member>
+    <member refid="common_8h_1a24a084027771d758aa545eb276de6f62" kind="function"><name>make_int2</name></member>
+    <member refid="common_8h_1a1ecdea95ad8e10fdc157c887c65209a7" kind="function"><name>make_int3</name></member>
+    <member refid="common_8h_1abf417bac64c6e9a8c2bdb0cc7794efc3" kind="function"><name>make_uint2</name></member>
+    <member refid="common_8h_1af6ede924b639188fb6b60b54cc276381" kind="function"><name>make_uint3</name></member>
+    <member refid="common_8h_1a46fe05783f65f4a7d782a74e2f6a8e5a" kind="function"><name>make_double3</name></member>
+    <member refid="common_8h_1add87c391c013af78e989b154b39b6516" kind="function"><name>itoa</name></member>
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   </compound>
+  <compound refid="metal__context_8h" kind="file"><name>metal_context.h</name>
+  </compound>
   <compound refid="quaternion_8h" kind="file"><name>quaternion.h</name>
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+  <compound refid="string__cache_8h" kind="file"><name>string_cache.h</name>
+  </compound>
+  <compound refid="transform_8h" kind="file"><name>transform.h</name>
+  </compound>
+  <compound refid="atom__typer_8cpp" kind="file"><name>atom_typer.cpp</name>
+    <member refid="atom__typer_8cpp_1a78330d529d08063ad8c2f846591bf62b" kind="define"><name>GET_SYMBOL</name></member>
+    <member refid="atom__typer_8cpp_1ad07fa1680b4c52f075ce19270399b935" kind="define"><name>GET_COVALENT_RAD</name></member>
+    <member refid="atom__typer_8cpp_1af8bca12527bac4b474e2ccb5acd8691e" kind="define"><name>GET_NAME</name></member>
+  </compound>
+  <compound refid="cartesian__grid_8cpp" kind="file"><name>cartesian_grid.cpp</name>
+  </compound>
+  <compound refid="coord__cache_8cpp" kind="file"><name>coord_cache.cpp</name>
+  </compound>
+  <compound refid="coordinateset_8cpp" kind="file"><name>coordinateset.cpp</name>
+  </compound>
+  <compound refid="coordinateset_8cu" kind="file"><name>coordinateset.cu</name>
+  </compound>
+  <compound refid="example_8cpp" kind="file"><name>example.cpp</name>
+  </compound>
+  <compound refid="example__dataset_8cpp" kind="file"><name>example_dataset.cpp</name>
+  </compound>
+  <compound refid="example__extractor_8cpp" kind="file"><name>example_extractor.cpp</name>
+  </compound>
+  <compound refid="example__provider_8cpp" kind="file"><name>example_provider.cpp</name>
+  </compound>
+  <compound refid="exampleref__providers_8cpp" kind="file"><name>exampleref_providers.cpp</name>
+  </compound>
+  <compound refid="grid__interpolater_8cpp" kind="file"><name>grid_interpolater.cpp</name>
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+  <compound refid="grid__interpolater_8cu" kind="file"><name>grid_interpolater.cu</name>
+  </compound>
+  <compound refid="grid__io_8cpp" kind="file"><name>grid_io.cpp</name>
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+  <compound refid="grid__maker_8cpp" kind="file"><name>grid_maker.cpp</name>
+  </compound>
+  <compound refid="grid__maker_8cu" kind="file"><name>grid_maker.cu</name>
+  </compound>
+  <compound refid="libmolgrid_8cpp" kind="file"><name>libmolgrid.cpp</name>
+    <member refid="libmolgrid_8cpp_1a1c871fa22b982781bf5303699bb07da4" kind="define"><name>INSTANTIATE_GRID_DEFINITIONS</name></member>
+  </compound>
+  <compound refid="string__cache_8cpp" kind="file"><name>string_cache.cpp</name>
+  </compound>
   <compound refid="transform_8cpp" kind="file"><name>transform.cpp</name>
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   <compound refid="transform_8cu" kind="file"><name>transform.cu</name>
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diff --git a/docs/cpp/xml/index.xsd b/docs/cpp/xml/index.xsd
index 04cb2f13..8729063b 100644
--- a/docs/cpp/xml/index.xsd
+++ b/docs/cpp/xml/index.xsd
@@ -1,5 +1,7 @@
 <?xml version='1.0' encoding='utf-8' ?>
 <xsd:schema xmlns:xsd="http://www.w3.org/2001/XMLSchema">
+  <xsd:import namespace="http://www.w3.org/XML/1998/namespace" schemaLocation="xml.xsd"/>
+
   <xsd:element name="doxygenindex" type="DoxygenType"/>
 
   <xsd:complexType name="DoxygenType">
@@ -7,6 +9,7 @@
       <xsd:element name="compound" type="CompoundType" minOccurs="0" maxOccurs="unbounded"/>
     </xsd:sequence>
     <xsd:attribute name="version" type="xsd:string" use="required"/>
+    <xsd:attribute ref="xml:lang" use="required"/>
   </xsd:complexType>
 
   <xsd:complexType name="CompoundType">
@@ -25,7 +28,7 @@
     <xsd:attribute name="refid" type="xsd:string" use="required"/>
     <xsd:attribute name="kind" type="MemberKind" use="required"/>
   </xsd:complexType>
-  
+
   <xsd:simpleType name="CompoundKind">
     <xsd:restriction base="xsd:string">
       <xsd:enumeration value="class"/>
@@ -42,6 +45,9 @@
       <xsd:enumeration value="example"/>
       <xsd:enumeration value="dir"/>
       <xsd:enumeration value="type"/>
+      <xsd:enumeration value="concept"/>
+      <xsd:enumeration value="module"/>
+      <xsd:enumeration value="requirement"/>
     </xsd:restriction>
   </xsd:simpleType>
 
diff --git a/docs/cpp/xml/libmolgrid_8cpp.xml b/docs/cpp/xml/libmolgrid_8cpp.xml
index 0ba9e6f9..86cda984 100644
--- a/docs/cpp/xml/libmolgrid_8cpp.xml
+++ b/docs/cpp/xml/libmolgrid_8cpp.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="libmolgrid_8cpp" kind="file" language="C++">
     <compoundname>libmolgrid.cpp</compoundname>
     <includes refid="libmolgrid_8h" local="yes">libmolgrid/libmolgrid.h</includes>
@@ -8,196 +8,230 @@
     <includes refid="managed__grid_8h" local="yes">libmolgrid/managed_grid.h</includes>
     <includes refid="transform_8h" local="yes">libmolgrid/transform.h</includes>
     <incdepgraph>
-      <node id="22">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
-        <childnode refid="25" relation="include">
-        </childnode>
-      </node>
-      <node id="5">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
       <node id="6">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="11">
-        <label>cassert</label>
-      </node>
-      <node id="20">
-        <label>stdexcept</label>
-      </node>
-      <node id="8">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="2" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
       </node>
       <node id="26">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="24">
-        <label>unordered_set</label>
-      </node>
-      <node id="3">
-        <label>random</label>
-      </node>
-      <node id="7">
-        <label>libmolgrid/config.h</label>
-      </node>
-      <node id="1">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-        <childnode refid="2" relation="include">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="24" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="29" relation="include">
         </childnode>
       </node>
       <node id="23">
-        <label>vector</label>
-      </node>
-      <node id="18">
-        <label>utility</label>
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
       </node>
       <node id="12">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
         <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="14" relation="include">
         </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
         <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-      </node>
-      <node id="4">
-        <label>iostream</label>
-      </node>
-      <node id="19">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
         </childnode>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+      </node>
+      <node id="2">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
       <node id="16">
-        <label>cuda.h</label>
-      </node>
-      <node id="15">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="10">
-        <label>boost/preprocessor/repetition.hpp</label>
-      </node>
-      <node id="17">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="13" relation="include">
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="18" relation="include">
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
         </childnode>
       </node>
-      <node id="9">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="21">
+      <node id="22">
         <label>libmolgrid/quaternion.h</label>
         <link refid="quaternion_8h"/>
         <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="2">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
+      <node id="29">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+      </node>
+      <node id="21">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
         </childnode>
-      </node>
-      <node id="14">
-        <label>cstring</label>
-      </node>
-      <node id="25">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
         <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+      </node>
+      <node id="1">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+      </node>
+      <node id="5">
+        <label>boost/lexical_cast.hpp</label>
       </node>
       <node id="13">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="28">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="20">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="19">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="15">
+        <label>cassert</label>
+      </node>
+      <node id="17">
+        <label>cstdlib</label>
+      </node>
+      <node id="8">
+        <label>cstring</label>
+      </node>
+      <node id="4">
+        <label>iostream</label>
+      </node>
+      <node id="11">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="7">
         <label>memory</label>
       </node>
+      <node id="27">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="3">
+        <label>random</label>
+      </node>
+      <node id="9">
+        <label>stdexcept</label>
+      </node>
+      <node id="10">
+        <label>string</label>
+      </node>
+      <node id="25">
+        <label>unordered_set</label>
+      </node>
+      <node id="18">
+        <label>utility</label>
+      </node>
+      <node id="24">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="libmolgrid_8cpp_1a1c871fa22b982781bf5303699bb07da4" prot="public" static="no">
         <name>INSTANTIATE_GRID_DEFINITIONS</name>
         <param><defname>SIZE</defname></param>
-        <initializer>    template class Grid&lt;float, SIZE, false&gt;; \
-    template class Grid&lt;double, SIZE, false&gt;; \
-    template class Grid&lt;float, SIZE, true&gt;; \
-    template class Grid&lt;double, SIZE, true&gt;; \
-    template class ManagedGrid&lt;float, SIZE&gt;; \
-    template class ManagedGrid&lt;double, SIZE&gt;;</initializer>
+        <initializer>template class Grid&lt;float, SIZE, false&gt;; \
+template class Grid&lt;double, SIZE, false&gt;; \
+template class Grid&lt;float, SIZE, true&gt;; \
+template class Grid&lt;double, SIZE, true&gt;; \
+template class ManagedGrid&lt;float, SIZE&gt;; \
+template class ManagedGrid&lt;double, SIZE&gt;;</initializer>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/libmolgrid.cpp" line="14" column="9" bodyfile="/home/dkoes/git/libmolgrid/src/libmolgrid.cpp" bodystart="14" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/libmolgrid.cpp" line="14" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/libmolgrid.cpp" bodystart="14" bodyend="20"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Global options for libmolgrid. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="4"><highlight class="preprocessor">#include<sp/>&quot;<ref refid="libmolgrid_8h" kindref="compound">libmolgrid/libmolgrid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="4"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="libmolgrid_8h" kindref="compound">libmolgrid/libmolgrid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="5"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;libmolgrid/config.h&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="6"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="managed__grid_8h" kindref="compound">libmolgrid/managed_grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
@@ -224,6 +258,6 @@
 <codeline lineno="28"><highlight class="normal"></highlight></codeline>
 <codeline lineno="29"><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/libmolgrid.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/libmolgrid.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/libmolgrid_8h.xml b/docs/cpp/xml/libmolgrid_8h.xml
index c2948e8d..690ad0b1 100644
--- a/docs/cpp/xml/libmolgrid_8h.xml
+++ b/docs/cpp/xml/libmolgrid_8h.xml
@@ -1,27 +1,31 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="libmolgrid_8h" kind="file" language="C++">
     <compoundname>libmolgrid.h</compoundname>
     <includes local="no">random</includes>
     <includes local="no">iostream</includes>
     <includes local="no">boost/lexical_cast.hpp</includes>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includedby refid="exampleref__providers_8h" local="yes">exampleref_providers.h</includedby>
     <includedby refid="grid_8h" local="yes">grid.h</includedby>
-    <includedby refid="transform_8h" local="yes">transform.h</includedby>
     <includedby refid="libmolgrid_8cpp" local="yes">libmolgrid.cpp</includedby>
+    <includedby refid="transform_8h" local="yes">transform.h</includedby>
     <incdepgraph>
-      <node id="4">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
       <node id="5">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="2">
-        <label>random</label>
-      </node>
-      <node id="3">
-        <label>iostream</label>
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="10" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>libmolgrid.h</label>
@@ -35,84 +39,110 @@
         <childnode refid="5" relation="include">
         </childnode>
       </node>
+      <node id="4">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="7">
+        <label>cstring</label>
+      </node>
+      <node id="3">
+        <label>iostream</label>
+      </node>
+      <node id="10">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="6">
+        <label>memory</label>
+      </node>
+      <node id="2">
+        <label>random</label>
+      </node>
+      <node id="8">
+        <label>stdexcept</label>
+      </node>
+      <node id="9">
+        <label>string</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="5">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="3" relation="include">
+      <node id="11">
+        <label>cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
       </node>
-      <node id="23">
+      <node id="22">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="23" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+      </node>
+      <node id="21">
+        <label>coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="24" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+      </node>
+      <node id="25">
         <label>example.h</label>
         <link refid="example_8h"/>
-        <childnode refid="21" relation="include">
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="17" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
         <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="12">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
-        <childnode refid="13" relation="include">
+      <node id="3">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="4" relation="include">
         </childnode>
       </node>
-      <node id="15">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
-      </node>
-      <node id="16">
-        <label>cartesian_grid.cpp</label>
-        <link refid="cartesian__grid_8cpp"/>
-      </node>
-      <node id="8">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="10">
-        <label>grid.h</label>
-        <link refid="grid_8h"/>
-        <childnode refid="11" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="19" relation="include">
+      <node id="5">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
       </node>
-      <node id="14">
-        <label>grid_io.h</label>
-        <link refid="grid__io_8h"/>
-        <childnode refid="15" relation="include">
+      <node id="7">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="18">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-      </node>
       <node id="2">
         <label>exampleref_providers.h</label>
         <link refid="exampleref__providers_8h"/>
@@ -120,33 +150,37 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
         <childnode refid="9" relation="include">
         </childnode>
       </node>
-      <node id="11">
-        <label>cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="12" relation="include">
+      <node id="10">
+        <label>grid.h</label>
+        <link refid="grid_8h"/>
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="14" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
-      </node>
-      <node id="21">
-        <label>coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="5" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="22" relation="include">
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="3">
-        <label>example_dataset.h</label>
-        <link refid="example__dataset_8h"/>
-        <childnode refid="4" relation="include">
+      <node id="13">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="14" relation="include">
+        </childnode>
+      </node>
+      <node id="15">
+        <label>grid_io.h</label>
+        <link refid="grid__io_8h"/>
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
       <node id="17">
@@ -155,101 +189,95 @@
         <childnode refid="18" relation="include">
         </childnode>
       </node>
-      <node id="25">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="6">
-        <label>example_provider.h</label>
-        <link refid="example__provider_8h"/>
-        <childnode refid="7" relation="include">
-        </childnode>
-      </node>
-      <node id="26">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="9">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
-      </node>
-      <node id="13">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
-      <node id="24">
-        <label>transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="12" relation="include">
+      <node id="1">
+        <label>libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="26" relation="include">
+        <childnode refid="27" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
-      </node>
-      <node id="19">
+      <node id="20">
         <label>managed_grid.h</label>
         <link refid="managed__grid_8h"/>
         <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
       </node>
-      <node id="22">
+      <node id="27">
+        <label>transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
+      </node>
+      <node id="12">
+        <label>cartesian_grid.cpp</label>
+        <link refid="cartesian__grid_8cpp"/>
+      </node>
+      <node id="23">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="28">
+      <node id="24">
         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
       </node>
+      <node id="26">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
       <node id="4">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
-      <node id="1">
-        <label>libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
-        <childnode refid="25" relation="include">
-        </childnode>
+      <node id="6">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
       </node>
-      <node id="27">
-        <label>example.cpp</label>
-        <link refid="example_8cpp"/>
+      <node id="8">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
       </node>
-      <node id="20">
-        <label>coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="21" relation="include">
-        </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
-        <childnode refid="5" relation="include">
-        </childnode>
-        <childnode refid="12" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="28" relation="include">
-        </childnode>
+      <node id="9">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="14">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="16">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+      </node>
+      <node id="18">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="19">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
+      <node id="28">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" prot="public" static="no">
         <name>LIBMOLGRID_MAX_GRID_DIM</name>
         <initializer>9</initializer>
@@ -259,45 +287,48 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" line="16" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="16" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="16" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="16" bodyend="-1"/>
+        <referencedby refid="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7">libmolgrid::BOOST_PP_REPEAT_FROM_TO</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a7c59c34e84b65360fe59e2d68debdfee">libmolgrid::BOOST_PP_REPEAT_FROM_TO</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>Single header to include for all libmolgrid functionality. libmolgrid provides GPU accelerated routines for converting molecular data into dense grids for use in deep learning workflows. </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="7"><highlight class="preprocessor">#ifndef<sp/>LIBMOLGRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"><sp/></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>LIBMOLGRID_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LIBMOLGRID_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="9"><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;random&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;iostream&gt;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/lexical_cast.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="14"><highlight class="normal"></highlight></codeline>
 <codeline lineno="15"><highlight class="normal"></highlight><highlight class="comment">//<sp/>dimensionalities<sp/>up<sp/>to<sp/>but<sp/>not<sp/>including<sp/>LIBMOLGRID_MAX_GRID_DIM<sp/>are<sp/>pre-instantiated</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16" refid="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>LIBMOLGRID_MAX_GRID_DIM<sp/>9</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>std::default_random_engine<sp/><ref refid="namespacelibmolgrid_1a637541cee6c830dbabb26498f6c91249" kindref="member">random_engine</ref>;</highlight></codeline>
 <codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21" refid="namespacelibmolgrid_1a7279d61df03794f106ab563c49049052" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1a7279d61df03794f106ab563c49049052" kindref="member">cuda_float3</ref><sp/>=<sp/>::float3;<sp/></highlight><highlight class="comment">//in<sp/>case<sp/>&quot;someone&quot;<sp/>has<sp/>redefined<sp/>float3</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="22" refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a984de77c680eaff141ec910e25568a81" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">enum</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" kindref="member">LogLevel</ref><sp/>{<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a984de77c680eaff141ec910e25568a81" kindref="member">WARNING</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a2fd6f336d08340583bd620a7f5694c90" kindref="member">ERROR</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a0593585da9181e972974c1274d8f2b4f" kindref="member">DEBUG</ref>};</highlight></codeline>
+<codeline lineno="21" refid="namespacelibmolgrid_1a7279d61df03794f106ab563c49049052" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid_1a7279d61df03794f106ab563c49049052" kindref="member">cuda_float3</ref><sp/>=<sp/><ref refid="structfloat3" kindref="compound">::float3</ref>;<sp/></highlight><highlight class="comment">//in<sp/>case<sp/>&quot;someone&quot;<sp/>has<sp/>redefined<sp/>float3</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="22" refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a0593585da9181e972974c1274d8f2b4f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">enum</highlight><highlight class="normal"><sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" kindref="member">LogLevel</ref><sp/>{<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a984de77c680eaff141ec910e25568a81" kindref="member">WARNING</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a2fd6f336d08340583bd620a7f5694c90" kindref="member">ERROR</ref>,<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a0593585da9181e972974c1274d8f2b4f" kindref="member">DEBUG</ref>};</highlight></codeline>
 <codeline lineno="23"><highlight class="normal"></highlight></codeline>
-<codeline lineno="24" refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::ostream&amp;<sp/><ref refid="namespacelibmolgrid_1afc56244e72d2209f03b10191d4c0fd99" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" kindref="member">LogLevel</ref><sp/>level<sp/>=<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>{</highlight></codeline>
+<codeline lineno="24" refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::ostream&amp;<sp/><ref refid="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" kindref="member">log</ref>(<ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" kindref="member">LogLevel</ref><sp/>level<sp/>=<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)<sp/>{</highlight></codeline>
 <codeline lineno="25"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(level<sp/>&gt;<sp/><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" kindref="member">INFO</ref>)</highlight></codeline>
 <codeline lineno="26"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::cerr;</highlight></codeline>
 <codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>std::cout;<sp/></highlight><highlight class="comment">//todo,<sp/>implement<sp/>verbosity<sp/>levels</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="30"><highlight class="normal"></highlight></codeline>
-<codeline lineno="31" refid="namespacelibmolgrid_1a57d9db38e6b5ccde0b2d5e480fdf81a4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="namespacelibmolgrid_1a57d9db38e6b5ccde0b2d5e480fdf81a4" kindref="member">ftoa</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>v)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>boost::lexical_cast&lt;std::string&gt;(v);<sp/>}</highlight></codeline>
-<codeline lineno="32" refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>v)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>boost::lexical_cast&lt;std::string&gt;(v);<sp/>}</highlight></codeline>
+<codeline lineno="31" refid="namespacelibmolgrid_1a19d10e8a648c88fdbf16f40de0e47cfc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="namespacelibmolgrid_1a19d10e8a648c88fdbf16f40de0e47cfc" kindref="member">ftoa</ref>(</highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>v)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>boost::lexical_cast&lt;std::string&gt;(v);<sp/>}</highlight></codeline>
+<codeline lineno="32" refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>std::string<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>v)<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>boost::lexical_cast&lt;std::string&gt;(v);<sp/>}</highlight></codeline>
 <codeline lineno="33"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="34"><highlight class="normal"></highlight></codeline>
 <codeline lineno="35"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/managed__grid_8h.xml b/docs/cpp/xml/managed__grid_8h.xml
index 73847481..b212a764 100644
--- a/docs/cpp/xml/managed__grid_8h.xml
+++ b/docs/cpp/xml/managed__grid_8h.xml
@@ -1,71 +1,67 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="managed__grid_8h" kind="file" language="C++">
     <compoundname>managed_grid.h</compoundname>
+    <includes local="no">cstdlib</includes>
     <includes local="no">memory</includes>
     <includes local="no">utility</includes>
     <includes local="no">boost/lexical_cast.hpp</includes>
+    <includes local="no">boost/serialization/split_member.hpp</includes>
+    <includes local="no">boost/serialization/array.hpp</includes>
     <includes refid="grid_8h" local="yes">libmolgrid/grid.h</includes>
     <includedby refid="cartesian__grid_8h" local="yes">cartesian_grid.h</includedby>
     <includedby refid="coordinateset_8h" local="yes">coordinateset.h</includedby>
     <includedby refid="libmolgrid_8cpp" local="yes">libmolgrid.cpp</includedby>
     <incdepgraph>
-      <node id="4">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="16">
-        <label>cuda_runtime.h</label>
+      <node id="15">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
       </node>
       <node id="8">
-        <label>cassert</label>
-      </node>
-      <node id="5">
         <label>libmolgrid/grid.h</label>
         <link refid="grid_8h"/>
-        <childnode refid="6" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="10" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
         <childnode refid="14" relation="include">
         </childnode>
-      </node>
-      <node id="15">
-        <label>random</label>
-      </node>
-      <node id="3">
-        <label>utility</label>
-      </node>
-      <node id="10">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
-        <childnode refid="2" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="11" relation="include">
+        <childnode refid="18" relation="include">
+        </childnode>
+      </node>
+      <node id="18">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="19" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
         </childnode>
-      </node>
-      <node id="9">
-        <label>iostream</label>
-      </node>
-      <node id="13">
-        <label>cuda.h</label>
-      </node>
-      <node id="12">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="7">
-        <label>boost/preprocessor/repetition.hpp</label>
       </node>
       <node id="1">
         <label>managed_grid.h</label>
@@ -78,169 +74,167 @@
         </childnode>
         <childnode refid="5" relation="include">
         </childnode>
-      </node>
-      <node id="6">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="14">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
-        <childnode refid="15" relation="include">
-        </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="8" relation="include">
         </childnode>
       </node>
+      <node id="5">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="9">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="10">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="7">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="6">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
       <node id="11">
-        <label>cstring</label>
+        <label>cassert</label>
       </node>
       <node id="2">
+        <label>cstdlib</label>
+      </node>
+      <node id="13">
+        <label>cstring</label>
+      </node>
+      <node id="12">
+        <label>iostream</label>
+      </node>
+      <node id="17">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="3">
         <label>memory</label>
       </node>
+      <node id="19">
+        <label>random</label>
+      </node>
+      <node id="14">
+        <label>stdexcept</label>
+      </node>
+      <node id="16">
+        <label>string</label>
+      </node>
+      <node id="4">
+        <label>utility</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
-      <node id="10">
-        <label>example_extractor.h</label>
-        <link refid="example__extractor_8h"/>
-        <childnode refid="11" relation="include">
+      <node id="2">
+        <label>cartesian_grid.h</label>
+        <link refid="cartesian__grid_8h"/>
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="15" relation="include">
+        <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="17">
-        <label>example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="9" relation="include">
+      <node id="9">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="10" relation="include">
         </childnode>
         <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+      </node>
+      <node id="8">
+        <label>coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="17" relation="include">
         </childnode>
         <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="25" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-      </node>
-      <node id="3">
-        <label>grid_interpolater.h</label>
-        <link refid="grid__interpolater_8h"/>
         <childnode refid="4" relation="include">
         </childnode>
-      </node>
-      <node id="6">
-        <label>grid_io.cpp</label>
-        <link refid="grid__io_8cpp"/>
-      </node>
-      <node id="7">
-        <label>cartesian_grid.cpp</label>
-        <link refid="cartesian__grid_8cpp"/>
-      </node>
-      <node id="15">
-        <label>example_extractor.cpp</label>
-        <link refid="example__extractor_8cpp"/>
-      </node>
-      <node id="5">
-        <label>grid_io.h</label>
-        <link refid="grid__io_8h"/>
-        <childnode refid="6" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
       </node>
-      <node id="21">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-      </node>
       <node id="18">
-        <label>exampleref_providers.h</label>
-        <link refid="exampleref__providers_8h"/>
-        <childnode refid="11" relation="include">
+        <label>example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="19" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="19" relation="include">
+        <childnode refid="11" relation="include">
         </childnode>
-      </node>
-      <node id="2">
-        <label>cartesian_grid.h</label>
-        <link refid="cartesian__grid_8h"/>
-        <childnode refid="3" relation="include">
+        <childnode refid="15" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="20" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-      </node>
-      <node id="9">
-        <label>coord_cache.h</label>
-        <link refid="coord__cache_8h"/>
-        <childnode refid="10" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="16" relation="include">
+        <childnode refid="24" relation="include">
         </childnode>
       </node>
-      <node id="11">
+      <node id="12">
         <label>example_dataset.h</label>
         <link refid="example__dataset_8h"/>
-        <childnode refid="12" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
       </node>
-      <node id="20">
-        <label>grid_maker.h</label>
-        <link refid="grid__maker_8h"/>
-        <childnode refid="21" relation="include">
+      <node id="11">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
         </childnode>
       </node>
-      <node id="23">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="13">
+      <node id="15">
         <label>example_provider.h</label>
         <link refid="example__provider_8h"/>
-        <childnode refid="14" relation="include">
+        <childnode refid="16" relation="include">
         </childnode>
       </node>
-      <node id="24">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="19">
-        <label>exampleref_providers.cpp</label>
-        <link refid="exampleref__providers_8cpp"/>
+      <node id="20">
+        <label>exampleref_providers.h</label>
+        <link refid="exampleref__providers_8h"/>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
       </node>
       <node id="4">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
-      <node id="22">
-        <label>transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="3" relation="include">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+      </node>
+      <node id="6">
+        <label>grid_io.h</label>
+        <link refid="grid__io_8h"/>
+        <childnode refid="7" relation="include">
         </childnode>
+      </node>
+      <node id="22">
+        <label>grid_maker.h</label>
+        <link refid="grid__maker_8h"/>
         <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
-        </childnode>
-      </node>
-      <node id="14">
-        <label>example_provider.cpp</label>
-        <link refid="example__provider_8cpp"/>
       </node>
       <node id="1">
         <label>managed_grid.h</label>
@@ -249,40 +243,72 @@
         </childnode>
         <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="25" relation="include">
         </childnode>
       </node>
-      <node id="16">
+      <node id="24">
+        <label>transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>cartesian_grid.cpp</label>
+        <link refid="cartesian__grid_8cpp"/>
+      </node>
+      <node id="10">
         <label>coord_cache.cpp</label>
         <link refid="coord__cache_8cpp"/>
       </node>
-      <node id="26">
+      <node id="17">
         <label>coordinateset.cpp</label>
         <link refid="coordinateset_8cpp"/>
       </node>
-      <node id="12">
+      <node id="19">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
+      <node id="13">
         <label>example_dataset.cpp</label>
         <link refid="example__dataset_8cpp"/>
       </node>
+      <node id="14">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="16">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
+      <node id="21">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="5">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="7">
+        <label>grid_io.cpp</label>
+        <link refid="grid__io_8cpp"/>
+      </node>
+      <node id="23">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
       <node id="25">
-        <label>example.cpp</label>
-        <link refid="example_8cpp"/>
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
       </node>
-      <node id="8">
-        <label>coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="9" relation="include">
-        </childnode>
-        <childnode refid="17" relation="include">
-        </childnode>
-        <childnode refid="10" relation="include">
-        </childnode>
-        <childnode refid="3" relation="include">
-        </childnode>
-        <childnode refid="20" relation="include">
-        </childnode>
-        <childnode refid="26" relation="include">
-        </childnode>
+      <node id="26">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
     <innerclass refid="structlibmolgrid_1_1mgrid__buffer__data" prot="public">libmolgrid::mgrid_buffer_data</innerclass>
@@ -290,7 +316,7 @@
     <innerclass refid="classlibmolgrid_1_1ManagedGrid" prot="public">libmolgrid::ManagedGrid</innerclass>
     <innerclass refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" prot="public">libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
-      <sectiondef kind="define">
+    <sectiondef kind="define">
       <memberdef kind="define" id="managed__grid_8h_1a3e4ee5d42d62ccb8164b3144cf138afe" prot="public" static="no">
         <name>EXPAND_MGRID_DEFINITIONS</name>
         <param><defname>Z</defname></param>
@@ -304,403 +330,604 @@ typedef ManagedGrid&lt;double, SIZE&gt; MGrid##SIZE##d;</initializer>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="447" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="447" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="585" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="585" bodyend="587"/>
+        <referencedby refid="namespacelibmolgrid_1a7c59c34e84b65360fe59e2d68debdfee">libmolgrid::BOOST_PP_REPEAT_FROM_TO</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
-<para>A grid that manages its own memory using a shared pointer. Any libmolgrid routines that create a grid option (e.g. readers) return a ManagedGrid. Memory is first allocated as CPU memory but can be explicitly converted to GPU memory and back. </para>
+<para>A grid that manages its own memory using a shared pointer. </para>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="10"><highlight class="preprocessor">#ifndef<sp/>MANAGED_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>MANAGED_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="12"><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;memory&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;utility&gt;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/lexical_cast.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="5"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>MANAGED_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>MANAGED_GRID_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cstdlib&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;memory&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;utility&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/lexical_cast.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/serialization/split_member.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;boost/serialization/array.hpp&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="16"><highlight class="normal"></highlight></codeline>
-<codeline lineno="17"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="grid_8h" kindref="compound">libmolgrid/grid.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="18"><highlight class="normal"></highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref></highlight></codeline>
+<codeline lineno="18"><highlight class="normal">{</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
-<codeline lineno="21"><highlight class="normal"></highlight></codeline>
-<codeline lineno="22"><highlight class="normal"></highlight></codeline>
-<codeline lineno="23"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="24" refid="structlibmolgrid_1_1mgrid__buffer__data" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data</ref><sp/>{</highlight></codeline>
-<codeline lineno="25" refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>;</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="21" refid="structlibmolgrid_1_1mgrid__buffer__data" refkind="compound"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data</ref></highlight></codeline>
+<codeline lineno="22"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
+<codeline lineno="23"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="24"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>*gpu_ptr;</highlight></codeline>
+<codeline lineno="25"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="26" refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>;</highlight></codeline>
-<codeline lineno="27"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"></highlight></codeline>
-<codeline lineno="30"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims&gt;</highlight></codeline>
-<codeline lineno="31" refid="classlibmolgrid_1_1ManagedGridBase" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref><sp/>{</highlight></codeline>
-<codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="33" refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, NumDims, true&gt;</ref>;<sp/></highlight></codeline>
-<codeline lineno="34" refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, NumDims, false&gt;</ref>;</highlight></codeline>
-<codeline lineno="35" refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
-<codeline lineno="36" refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>constexpr<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>NumDims;</highlight></codeline>
-<codeline lineno="37"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"></highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//two<sp/>different<sp/>views<sp/>of<sp/>the<sp/>same<sp/>memory</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="41" refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;<sp/></highlight><highlight class="comment">//treated<sp/>as<sp/>a<sp/>cache</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="42" refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;</highlight></codeline>
-<codeline lineno="43" refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;Dtype&gt;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;<sp/></highlight><highlight class="comment">//shared<sp/>pointer<sp/>lets<sp/>us<sp/>not<sp/>worry<sp/>about<sp/>copying<sp/>the<sp/>grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="44" refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/>0;<sp/></highlight><highlight class="comment">//amount<sp/>of<sp/>memory<sp/>allocated<sp/>(for<sp/>resizing)</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="45"><highlight class="normal"></highlight></codeline>
-<codeline lineno="46" refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data&lt;Dtype&gt;</ref>;</highlight></codeline>
-<codeline lineno="47" refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="48"><highlight class="normal"></highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims&gt;</highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1ManagedGridBase" refkind="compound"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref></highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="34" refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, NumDims, true&gt;</ref>;</highlight></codeline>
+<codeline lineno="35" refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, NumDims, false&gt;</ref>;</highlight></codeline>
+<codeline lineno="36" refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref><sp/>=<sp/>Dtype;</highlight></codeline>
+<codeline lineno="37" refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">constexpr</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad8331653910a5a034f8238e6a8fbb9b1" kindref="member">N</ref><sp/>=<sp/>NumDims;</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"></highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="40" refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;</highlight></codeline>
+<codeline lineno="41" refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;</highlight></codeline>
+<codeline lineno="42" refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>std::shared_ptr&lt;Dtype&gt;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
+<codeline lineno="43" refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"></highlight></codeline>
+<codeline lineno="45" refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>=<sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">mgrid_buffer_data&lt;Dtype&gt;</ref>;</highlight></codeline>
+<codeline lineno="46" refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">mutable</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"></highlight></codeline>
+<codeline lineno="48" refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="49"><highlight class="normal"></highlight></codeline>
-<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="52"><highlight class="normal"></highlight></codeline>
-<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>deallocate<sp/>our<sp/>special<sp/>buffer<sp/>memory,<sp/>include<sp/>gpu<sp/>memory<sp/>if<sp/>present</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="54" refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kindref="member">delete_buffer</ref>(</highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>*ptr)<sp/>{</highlight></codeline>
-<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref><sp/>=<sp/>(<ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref>*)(ptr)<sp/>-<sp/>1;</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>-&gt;gpu_ptr<sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
-<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//deallocate<sp/>gpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaFree(<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>-&gt;gpu_ptr);</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>free(<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>);</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//allocate<sp/>and<sp/>set<sp/>the<sp/>cpu<sp/>pointer<sp/>(and<sp/>grid)<sp/>with<sp/>space<sp/>for<sp/>sent_to_gpu<sp/>bool,<sp/>set<sp/>the<sp/>bool<sp/>ptr<sp/>location</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//does<sp/>not<sp/>initialize<sp/>memory</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="64" refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz)<sp/>{</highlight></codeline>
-<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//put<sp/>buffer<sp/>data<sp/>at<sp/>start<sp/>so<sp/>know<sp/>where<sp/>it<sp/>is<sp/>on<sp/>delete</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>*buffer<sp/>=<sp/>malloc(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref>)+sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>*cpu_data<sp/>=<sp/>(Dtype*)((<ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref>*)buffer+1);</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"></highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(!buffer)<sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>allocate<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype))+</highlight><highlight class="stringliteral">&quot;<sp/>bytes<sp/>of<sp/>CPU<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>=<sp/>std::shared_ptr&lt;Dtype&gt;(cpu_data,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kindref="member">delete_buffer</ref>);</highlight></codeline>
-<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get());</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/>(<ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref>*)buffer;</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref><sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"></highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//allocate<sp/>and<sp/>set<sp/>gpu_ptr<sp/>and<sp/>grid,<sp/>does<sp/>not<sp/>initialize<sp/>memory,<sp/>should<sp/>not<sp/>be<sp/>called<sp/>if<sp/>memory<sp/>is<sp/>already<sp/>allocated</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="78" refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" kindref="member">alloc_and_set_gpu</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
-<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Attempt<sp/>to<sp/>allocate<sp/>gpu<sp/>memory<sp/>in<sp/>empty<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref><sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
-<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Attempt<sp/>to<sp/>reallocate<sp/>gpu<sp/>memory<sp/>in<sp/><sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//we<sp/>are<sp/>not<sp/>actually<sp/>using<sp/>unified<sp/>memory,<sp/>but<sp/>this<sp/>make<sp/>debugging<sp/>easier?</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaError_t<sp/>err<sp/>=<sp/>cudaMalloc(&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaGetLastError();</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(err<sp/>!=<sp/>cudaSuccess)<sp/>{</highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>allocate<sp/>&quot;</highlight><highlight class="normal">+<ref refid="namespacelibmolgrid_1abc436df6cd0df6fa9524cd420e13a637" kindref="member">itoa</ref>(sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype))+</highlight><highlight class="stringliteral">&quot;<sp/>bytes<sp/>of<sp/>GPU<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>);</highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;::<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref>&gt;</highlight></codeline>
-<codeline lineno="94" refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" kindref="member">ManagedGridBase</ref>(I...<sp/>sizes):<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...)<sp/>{</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//allocate<sp/>buffer</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>();</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(capacity);<sp/></highlight><highlight class="comment">//even<sp/>with<sp/>capacity<sp/>==<sp/>0<sp/>need<sp/>to<sp/>allocate<sp/>sent_to_gpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>0,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"></highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//helper<sp/>for<sp/>clone,<sp/>allocate<sp/>new<sp/>memory<sp/>and<sp/>copies<sp/>contents<sp/>of<sp/>current<sp/>ptr<sp/>into<sp/>it</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="103" refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kindref="member">clone_ptrs</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>==<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="107"><highlight class="normal"></highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//duplicate<sp/>cpu<sp/>memory<sp/>and<sp/>set<sp/>sent_to_gpu</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>std::shared_ptr&lt;Dtype&gt;<sp/>old<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibmolgrid_1_1mgrid__buffer__data" kindref="compound">buffer_data</ref><sp/>oldgpu<sp/>=<sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>;</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>old.get(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
-<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref><sp/>=<sp/>oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>;</highlight></codeline>
-<codeline lineno="114"><highlight class="normal"></highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//if<sp/>allocated,<sp/>duplicate<sp/>gpu,<sp/>but<sp/>only<sp/>if<sp/>it<sp/>is<sp/>active</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref><sp/>&amp;&amp;<sp/>oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" kindref="member">alloc_and_set_gpu</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,<sp/>oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)*<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>,<sp/>cudaMemcpyDeviceToDevice));</highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="122"><highlight class="normal"></highlight></codeline>
-<codeline lineno="124" refid="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1adc57df2d9d355c2c98206d8ca7ab230d" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a483b22b3df988a8a315fe4525097cd91" kindref="member">dimensions</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="126" refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(i);<sp/>}</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"></highlight></codeline>
-<codeline lineno="129" refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab18a0f2c17222ceecc823cdb1df6f9e2" kindref="member">offsets</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a99fba573ee49cb59c992f17f4cbc21bb" kindref="member">offsets</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="131" refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a67a4d2469cf97b1e2018d220c5992ca7" kindref="member">offset</ref>(i);<sp/>}</highlight></codeline>
-<codeline lineno="132"><highlight class="normal"></highlight></codeline>
-<codeline lineno="134" refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"></highlight></codeline>
-<codeline lineno="137" refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>();</highlight></codeline>
-<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"></highlight></codeline>
-<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="146" refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa5b105cea5249d8b627dc7a9e897f0a1" kindref="member">operator()</ref>(I...<sp/>indices)<sp/>{</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
-<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(indices...);</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="50" refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kindref="member">delete_buffer</ref>(</highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>*ptr)</highlight></codeline>
+<codeline lineno="51"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref><sp/>=<sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*)(ptr)-1;</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>-&gt;gpu_ptr<sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>cudaFree(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>-&gt;gpu_ptr);</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>free(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>);</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>free(ptr);</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"></highlight></codeline>
+<codeline lineno="64" refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz)</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>*buffer<sp/>=<sp/>malloc(</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref>)<sp/>+<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>*cpu_data<sp/>=<sp/>(Dtype<sp/>*)((<ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*)buffer<sp/>+<sp/>1);</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(!buffer)</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>allocate<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>bytes<sp/>of<sp/>CPU<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>=<sp/>std::shared_ptr&lt;Dtype&gt;(cpu_data,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kindref="member">delete_buffer</ref>);</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.set_buffer(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get());</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*)buffer;</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>align<sp/>=<sp/>16384;</highlight></codeline>
+<codeline lineno="79"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>bytes<sp/>=<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref>)<sp/>+<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype);</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>*buffer<sp/>=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(posix_memalign(&amp;buffer,<sp/>align,<sp/>bytes)<sp/>!=<sp/>0<sp/>||<sp/>!buffer)</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>allocate<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>bytes<sp/>of<sp/>CPU<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/></highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(buffer);</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>Dtype<sp/>*cpu_data<sp/>=<sp/></highlight><highlight class="keyword">reinterpret_cast&lt;</highlight><highlight class="normal">Dtype<sp/>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>+<sp/>1);</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>=<sp/>std::shared_ptr&lt;Dtype&gt;(cpu_data,<sp/>[buffer](Dtype<sp/>*)<sp/>{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af5dc0787a765f8e6ba44aee026795537" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;::delete_buffer</ref>(buffer);<sp/>});</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.set_buffer(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get());</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.set_buffer(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get());</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"></highlight></codeline>
+<codeline lineno="92"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/>alloc_and_set_gpu(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="94"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Attempt<sp/>to<sp/>allocate<sp/>gpu<sp/>memory<sp/>in<sp/>empty<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr<sp/>!=<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Attempt<sp/>to<sp/>reallocate<sp/>gpu<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaError_t<sp/>err<sp/>=<sp/>cudaMalloc(&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr,<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>cudaGetLastError();</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(err<sp/>!=<sp/>cudaSuccess)</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::runtime_error(</highlight><highlight class="stringliteral">&quot;Could<sp/>not<sp/>allocate<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/><ref refid="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" kindref="member">itoa</ref>(sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype))<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>bytes<sp/>of<sp/>GPU<sp/>memory<sp/>in<sp/>ManagedGrid&quot;</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr);</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="106"><highlight class="normal"></highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref>&gt;</highlight></codeline>
+<codeline lineno="108" refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af8fd252961332be4d6b9f71a5e418186" kindref="member">ManagedGridBase</ref>(I...<sp/>sizes)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...)</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>();</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(capacity);</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>0,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"></highlight></codeline>
+<codeline lineno="116" refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a8223009004a3575c6f5749138fef30f6" kindref="member">ManagedGridBase</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*sizes)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>(nullptr,<sp/>sizes),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(nullptr,<sp/>sizes)</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>();</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(capacity);</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memset(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>0,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"></highlight></codeline>
+<codeline lineno="124" refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kindref="member">clone_ptrs</ref>()</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"></highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>std::shared_ptr&lt;Dtype&gt;<sp/>old<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a256a3dbdc150a4d491a57c920fc05c52" kindref="member">buffer_data</ref><sp/>oldgpu<sp/>=<sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>;</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" kindref="member">alloc_and_set_cpu</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>old.get(),<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/>oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>;</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"></highlight></codeline>
+<codeline lineno="135"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(oldgpu.gpu_ptr<sp/>&amp;&amp;<sp/>oldgpu.<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>)</highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>alloc_and_set_gpu(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr,<sp/>oldgpu.gpu_ptr,<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype)<sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>,<sp/>cudaMemcpyDeviceToDevice));</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"></highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="145" refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a454610cc4b07dc37549775a49e7a3ae4" kindref="member">dimensions</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.dimensions();<sp/>}</highlight></codeline>
+<codeline lineno="146" refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" kindref="member">dimension</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.dimension(i);<sp/>}</highlight></codeline>
+<codeline lineno="147"><highlight class="normal"></highlight></codeline>
+<codeline lineno="148" refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a06a9efb1e760cf7c1652e80b1ba64705" kindref="member">offsets</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.offsets();<sp/>}</highlight></codeline>
+<codeline lineno="149" refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.offset(i);<sp/>}</highlight></codeline>
 <codeline lineno="150"><highlight class="normal"></highlight></codeline>
-<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
-<codeline lineno="152" refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" kindref="member">operator()</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(indices...);</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"></highlight></codeline>
-<codeline lineno="158" refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="162"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
-<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//host<sp/>ot<sp/>host</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="167"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"></highlight></codeline>
-<codeline lineno="170" refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="174"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToDevice));</highlight></codeline>
-<codeline lineno="175"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="176"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="180"><highlight class="normal"></highlight></codeline>
-<codeline lineno="182" refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>&amp;<sp/>dest)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="184"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>);</highlight></codeline>
-<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="186"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>);</highlight></codeline>
-<codeline lineno="187"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="189"><highlight class="normal"></highlight></codeline>
-<codeline lineno="191" refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),<sp/>sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="196"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="197"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="198"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="201"><highlight class="normal"></highlight></codeline>
-<codeline lineno="203" refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="204"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="205"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="206"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToDevice));</highlight></codeline>
-<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="209"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),src.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="151" refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.size();<sp/>}</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"></highlight></codeline>
+<codeline lineno="153" refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a512219066836349f65f85a0ead19ae8a" kindref="member">fill_zero</ref>()</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.fill_zero();</highlight></codeline>
+<codeline lineno="157"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.fill_zero();</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"></highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="162" refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1afe94dc884929dfa9d51f91b8f2c92148" kindref="member">operator()</ref>(I...<sp/>indices)</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(indices...);</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="167"><highlight class="normal"></highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I&gt;</highlight></codeline>
+<codeline lineno="169" refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ac469c7ee3d92be77bc38bddb26b5f695" kindref="member">operator()</ref>(I...<sp/>indices)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="170"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="171"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="172"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(indices...);</highlight></codeline>
+<codeline lineno="173"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="174"><highlight class="normal"></highlight></codeline>
+<codeline lineno="175" refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>&amp;dest)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="176"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(sz<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="180"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="181"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="182"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="183"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="184"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="185"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data())</highlight></codeline>
+<codeline lineno="186"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="187"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="188"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="189"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="190"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="191"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data())</highlight></codeline>
+<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="196"><highlight class="normal"></highlight></codeline>
+<codeline lineno="197" refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbc53c65c1c27667a659ec84dafbe01a" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>&amp;dest)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="198"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="199"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>dest.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="200"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(sz<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="201"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="202"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="203"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="204"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="205"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToDevice));</highlight></codeline>
+<codeline lineno="206"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="207"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data())</highlight></codeline>
+<codeline lineno="208"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="209"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="210"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="211"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="213"><highlight class="normal"></highlight></codeline>
-<codeline lineno="215" refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>);</highlight></codeline>
-<codeline lineno="218"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//on<sp/>host</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="219"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>);</highlight></codeline>
-<codeline lineno="220"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="211"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="213"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="214"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="215"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="216"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>!=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data())</highlight></codeline>
+<codeline lineno="217"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(dest.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="218"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="219"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="220"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
 <codeline lineno="221"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="222"><highlight class="normal"></highlight></codeline>
-<codeline lineno="224" refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" kindref="member">copyInto</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>&amp;<sp/>src)<sp/>{</highlight></codeline>
-<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>off<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>(0)*start;</highlight></codeline>
-<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()-off;</highlight></codeline>
-<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sz<sp/>=<sp/>std::min(sz,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
-<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(sz<sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
-<codeline lineno="229"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="230"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="231"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()+off,src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToDevice));</highlight></codeline>
-<codeline lineno="232"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()+off,src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToHost));</highlight></codeline>
-<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{<sp/></highlight><highlight class="comment">//on<sp/>host</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>{</highlight></codeline>
-<codeline lineno="237"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()+off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>(),<sp/>sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="239"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()+off,src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>(),sz*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
-<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="242"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
-<codeline lineno="243"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="244"><highlight class="normal"></highlight></codeline>
-<codeline lineno="251"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;::<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">type</ref>&gt;</highlight></codeline>
-<codeline lineno="252" refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a8576226e00915bc8c923e0b9c77e051e" kindref="member">resized</ref>(I...<sp/>sizes)<sp/>{</highlight></codeline>
-<codeline lineno="253"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref><sp/>g(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...);</highlight></codeline>
-<codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(g.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>&lt;=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>)<sp/>{</highlight></codeline>
-<codeline lineno="255"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//no<sp/>need<sp/>to<sp/>allocate<sp/>and<sp/>copy;<sp/>capacity<sp/>stays<sp/>the<sp/>same</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="256"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>tmp;</highlight></codeline>
-<codeline lineno="257"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.cpu_ptr<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
-<codeline lineno="258"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.gpu_info<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>;</highlight></codeline>
-<codeline lineno="259"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.cpu_grid<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>sizes...);</highlight></codeline>
-<codeline lineno="260"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)<sp/>tmp.gpu_grid<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,<sp/>sizes...);</highlight></codeline>
-<codeline lineno="261"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.capacity<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>;</highlight></codeline>
-<codeline lineno="262"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
-<codeline lineno="263"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="264"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>tmp(sizes...);</highlight></codeline>
-<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()<sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>tmp.size()<sp/>&gt;<sp/>0)<sp/>{</highlight></codeline>
-<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())<sp/>tmp.togpu();<sp/></highlight><highlight class="comment">//allocate<sp/>gpu<sp/>memory</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(tmp);</highlight></codeline>
-<codeline lineno="268"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="269"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
-<codeline lineno="270"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="271"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="272"><highlight class="normal"></highlight></codeline>
-<codeline lineno="276" refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" kindref="member">gpu</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="277" refid="classlibmolgrid_1_1ManagedGridBase_1aa5c4b729fa4facfb55cb19b51f5797cb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa5c4b729fa4facfb55cb19b51f5797cb" kindref="member">gpu</ref>()<sp/>{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="278"><highlight class="normal"></highlight></codeline>
-<codeline lineno="281" refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" kindref="member">cpu</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="282" refid="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1abc539db90c9ad1195006ab86c772f4a3" kindref="member">cpu</ref>()<sp/>{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="283"><highlight class="normal"></highlight></codeline>
-<codeline lineno="285" refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotransfer=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>==<sp/>0)<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//check<sp/>that<sp/>memory<sp/>is<sp/>allocated<sp/>-<sp/>even<sp/>if<sp/>data<sp/>is<sp/>on<sp/>gpu,<sp/>may<sp/>still<sp/>need<sp/>to<sp/>set<sp/>this<sp/>mgrid&apos;s<sp/>gpu_grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
-<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref><sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
-<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" kindref="member">alloc_and_set_gpu</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
-<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="comment">//otherwise<sp/>some<sp/>other<sp/>copy<sp/>has<sp/>already<sp/>allocated<sp/>memory,<sp/>just<sp/>need<sp/>to<sp/>set</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>-<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get();<sp/></highlight><highlight class="comment">//might<sp/>be<sp/>subgrid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a440d5fdb2fea4e01b2d7ca58720e6f9a" kindref="member">set_buffer</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>+<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>);</highlight></codeline>
-<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" kindref="member">oncpu</ref>()<sp/>&amp;&amp;<sp/>dotransfer)<sp/>{</highlight></codeline>
-<codeline lineno="296"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyHostToDevice));</highlight></codeline>
-<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="298"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref><sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="300"><highlight class="normal"></highlight></codeline>
-<codeline lineno="302" refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotransfer=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>()<sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>dotransfer)<sp/>{</highlight></codeline>
-<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" kindref="member">gpu_ptr</ref>,<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>*</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),cudaMemcpyDeviceToHost));</highlight></codeline>
-<codeline lineno="305"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref><sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="307"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="308"><highlight class="normal"></highlight></codeline>
-<codeline lineno="310" refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="311"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>;</highlight></codeline>
-<codeline lineno="312"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(ret<sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();<sp/></highlight><highlight class="comment">//needed<sp/>if<sp/>this<sp/>is<sp/>a<sp/>copy<sp/>made<sp/>before<sp/>another<sp/>transfered</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="313"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="315"><highlight class="normal"></highlight></codeline>
-<codeline lineno="317" refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" kindref="member">oncpu</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal"><sp/>||<sp/>!<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;<ref refid="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" kindref="member">sent_to_gpu</ref>;<sp/>}</highlight></codeline>
-<codeline lineno="318"><highlight class="normal"></highlight></codeline>
-<codeline lineno="319"><highlight class="normal"></highlight></codeline>
-<codeline lineno="320" refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" kindref="member">cpu</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="321" refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">cpu_grid_t</ref>&amp;()<sp/>{</highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" kindref="member">cpu</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="322"><highlight class="normal"></highlight></codeline>
-<codeline lineno="323" refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" kindref="member">gpu</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="324" refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">gpu_grid_t</ref>&amp;()<sp/>{</highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc87d7aacb8f79831cae339b3039b65d" kindref="member">gpu</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="325"><highlight class="normal"></highlight></codeline>
-<codeline lineno="327" refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa1322a8e4f3f36cfff77ca7a5ec57d97" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" kindref="member">cpu</ref>().<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="328" refid="classlibmolgrid_1_1ManagedGridBase_1aecdaa9892795d526d6d468e21ef3a2b2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aecdaa9892795d526d6d468e21ef3a2b2" kindref="member">data</ref>()<sp/>{<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1af9baf061634fae1bd30d7abd24900263" kindref="member">cpu</ref>().<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>();<sp/>}</highlight></codeline>
-<codeline lineno="329"><highlight class="normal"></highlight></codeline>
-<codeline lineno="330"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//pointer<sp/>equality</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="331" refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>&amp;<sp/>rhs)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="332"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>==<sp/>rhs.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
-<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="334"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>constructor<sp/>used<sp/>by<sp/>operator[]</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="336" refid="classlibmolgrid_1_1ManagedGridBase_1a405571fa8a8314ff906c31579d2f532a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt;Dtype,NumDims-1&gt;;</highlight></codeline>
-<codeline lineno="337" refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" kindref="member">ManagedGridBase</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype,NumDims+1&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):</highlight></codeline>
-<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>,<sp/>i),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>,<sp/>i),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>),</highlight></codeline>
-<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)<sp/>{}</highlight></codeline>
-<codeline lineno="340"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="341"><highlight class="normal"></highlight></codeline>
-<codeline lineno="361"><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims&gt;</highlight></codeline>
-<codeline lineno="362"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">ManagedGrid<sp/>:<sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/>ManagedGridBase&lt;Dtype,<sp/>NumDims&gt;<sp/>{</highlight></codeline>
-<codeline lineno="363"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="364" refid="classlibmolgrid_1_1ManagedGrid_1a2e6fb40ebdb1c8bd1ba55716d6bff024" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">subgrid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt;Dtype,NumDims-1&gt;;</highlight></codeline>
-<codeline lineno="365" refid="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">base_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>;</highlight></codeline>
-<codeline lineno="366"><highlight class="normal"></highlight></codeline>
-<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//empty,<sp/>unusable<sp/>grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="369"><highlight class="normal"></highlight></codeline>
-<codeline lineno="370"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;::type&gt;</highlight></codeline>
-<codeline lineno="371" refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" kindref="member">ManagedGrid</ref>(I...<sp/>sizes):<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype,NumDims&gt;</ref>(sizes...)<sp/>{</highlight></codeline>
-<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="373"><highlight class="normal"></highlight></codeline>
-<codeline lineno="380" refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">subgrid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="381"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(i<sp/>&gt;=<sp/>this-&gt;cpu_grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
-<codeline lineno="382"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Index<sp/>&quot;</highlight><highlight class="normal">+boost::lexical_cast&lt;std::string&gt;(i)+</highlight><highlight class="stringliteral">&quot;<sp/>out<sp/>of<sp/>bounds<sp/>of<sp/>dimension<sp/>&quot;</highlight><highlight class="normal">+boost::lexical_cast&lt;std::string&gt;(this-&gt;cpu_grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
-<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt;Dtype,NumDims-1&gt;(*</highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="keyword">const<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(</highlight><highlight class="keyword">this</highlight><highlight class="normal">),<sp/>i);</highlight></codeline>
-<codeline lineno="384"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="385"><highlight class="normal"></highlight></codeline>
-<codeline lineno="387" refid="classlibmolgrid_1_1ManagedGrid_1a7ff8e1562862acfd393839e9ef444657" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a7ff8e1562862acfd393839e9ef444657" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="388"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="389"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.clone_ptrs();</highlight></codeline>
-<codeline lineno="390"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="391"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="392"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="393"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//only<sp/>called<sp/>from<sp/>regular<sp/>Grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="394" refid="classlibmolgrid_1_1ManagedGrid_1a8e96661ffa162bb99c56ae34b11556e3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,NumDims+1&gt;</ref>;</highlight></codeline>
-<codeline lineno="395" refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,NumDims&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype,NumDims+1&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):</highlight></codeline>
-<codeline lineno="396"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt;Dtype,NumDims&gt;(G,<sp/>i)<sp/>{}</highlight></codeline>
-<codeline lineno="397"><highlight class="normal"></highlight></codeline>
-<codeline lineno="398"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="399"><highlight class="normal"></highlight></codeline>
-<codeline lineno="400"><highlight class="normal"></highlight></codeline>
-<codeline lineno="401"><highlight class="normal"></highlight><highlight class="comment">//<sp/>class<sp/>specialization<sp/>of<sp/>managed<sp/>grid<sp/>to<sp/>make<sp/>final<sp/>operator[]<sp/>return<sp/>scalar</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="402"><highlight class="normal"></highlight><highlight class="keyword">template</highlight><highlight class="normal">&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype<sp/>&gt;</highlight></codeline>
-<codeline lineno="403" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, 1&gt;</ref><sp/>{</highlight></codeline>
-<codeline lineno="404"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="405" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" kindref="member">subgrid_t</ref><sp/>=<sp/>Dtype;</highlight></codeline>
-<codeline lineno="406" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a07fd586f0921db2d99a7515f4de53c70" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">base_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype, 1&gt;</ref>;</highlight></codeline>
-<codeline lineno="407"><highlight class="normal"></highlight></codeline>
-<codeline lineno="408"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="409" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" kindref="member">ManagedGrid</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz):<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt;Dtype,<sp/>1&gt;(sz)<sp/>{</highlight></codeline>
-<codeline lineno="410"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="411"><highlight class="normal"></highlight></codeline>
-<codeline lineno="412" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ada569361f39baed5fc44edff9ed2215d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ada569361f39baed5fc44edff9ed2215d" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)<sp/>{</highlight></codeline>
-<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;tocpu();</highlight></codeline>
-<codeline lineno="414"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid[i];</highlight></codeline>
+<codeline lineno="223" refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1afd5ca42172cc845309b01069ed3a14c2" kindref="member">copyTo</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>&amp;dest)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="224"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="225"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="226"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>);</highlight></codeline>
+<codeline lineno="227"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(dest.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>);</highlight></codeline>
+<codeline lineno="228"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="229"><highlight class="normal"></highlight></codeline>
+<codeline lineno="230" refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>&amp;src)</highlight></codeline>
+<codeline lineno="231"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="232"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(sz<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="235"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="236"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="237"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="238"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="239"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="240"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="241"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="242"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="243"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="244"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="245"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="246"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="247"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="248"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="249"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="250"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="251"><highlight class="normal"></highlight></codeline>
+<codeline lineno="252" refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ac4d8dd20279b234e0d8c057f052c4a95" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>&amp;src)</highlight></codeline>
+<codeline lineno="253"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="254"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/>std::min(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="255"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(sz<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="256"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="257"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="258"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="259"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="260"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToDevice));</highlight></codeline>
+<codeline lineno="261"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="262"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="263"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="264"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="265"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="266"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="267"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="268"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="269"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="270"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="271"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="272"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data(),<sp/>src.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="273"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="274"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="275"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="276"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="277"><highlight class="normal"></highlight></codeline>
+<codeline lineno="278" refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a7f97a564c8b4e32c14d7b4ab58255295" kindref="member">copyFrom</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>&amp;src)</highlight></codeline>
+<codeline lineno="279"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="280"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="281"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>);</highlight></codeline>
+<codeline lineno="282"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a32a5cdeb67c51d9b75925d93277a1ed0" kindref="member">copyFrom</ref>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>);</highlight></codeline>
+<codeline lineno="283"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="284"><highlight class="normal"></highlight></codeline>
+<codeline lineno="285" refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab92b52fef49a9d7440a98f567c28f168" kindref="member">copyInto</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>&amp;src)</highlight></codeline>
+<codeline lineno="286"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="287"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>off<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>(0)<sp/>*<sp/>start;</highlight></codeline>
+<codeline lineno="288"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()<sp/>-<sp/>off;</highlight></codeline>
+<codeline lineno="289"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>sz<sp/>=<sp/>std::min(sz,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="290"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(sz<sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="291"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>0;</highlight></codeline>
+<codeline lineno="292"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="293"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="294"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="295"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="296"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="297"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToDevice));</highlight></codeline>
+<codeline lineno="298"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="299"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="300"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="301"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="302"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="303"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="304"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="305"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="306"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="307"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="308"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>+<sp/>off<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="309"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="310"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="311"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="312"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="313"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="314"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="315"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="316"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="317"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="318"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="319"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="320"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="321"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="322"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="323"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="324"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="325"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="326"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>+<sp/>off<sp/>!=<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>())</highlight></codeline>
+<codeline lineno="327"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>memcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>+<sp/>off,<sp/>src.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>sz<sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype));</highlight></codeline>
+<codeline lineno="328"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="329"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="330"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>sz;</highlight></codeline>
+<codeline lineno="331"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="332"><highlight class="normal"></highlight></codeline>
+<codeline lineno="333"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref>&gt;</highlight></codeline>
+<codeline lineno="334" refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a632aa37a54c61ce91a2662c3e8b38e81" kindref="member">resized</ref>(I...<sp/>sizes)</highlight></codeline>
+<codeline lineno="335"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="336"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>g(</highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">,<sp/>sizes...);</highlight></codeline>
+<codeline lineno="337"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(g.<ref refid="classlibmolgrid_1_1Grid_1acb2f16129f492fbb0aa93ae8b78402ec" kindref="member">size</ref>()<sp/>&lt;=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>)</highlight></codeline>
+<codeline lineno="338"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="339"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>tmp;</highlight></codeline>
+<codeline lineno="340"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
+<codeline lineno="341"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>;</highlight></codeline>
+<codeline lineno="342"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>sizes...);</highlight></codeline>
+<codeline lineno="343"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="344"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)</highlight></codeline>
+<codeline lineno="345"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr,<sp/>sizes...);</highlight></codeline>
+<codeline lineno="346"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="347"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/>sizes...);</highlight></codeline>
+<codeline lineno="348"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="349"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>;</highlight></codeline>
+<codeline lineno="350"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
+<codeline lineno="351"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="352"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="353"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="354"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>tmp(sizes...);</highlight></codeline>
+<codeline lineno="355"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()<sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>()<sp/>&gt;<sp/>0)</highlight></codeline>
+<codeline lineno="356"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="357"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>())</highlight></codeline>
+<codeline lineno="358"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();</highlight></codeline>
+<codeline lineno="359"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aff4a416b7db91859de81b24856be632a" kindref="member">copyTo</ref>(tmp);</highlight></codeline>
+<codeline lineno="360"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="361"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>tmp;</highlight></codeline>
+<codeline lineno="362"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="363"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="364"><highlight class="normal"></highlight></codeline>
+<codeline lineno="365" refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" kindref="member">gpu</ref>()</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="366"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="367"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();</highlight></codeline>
+<codeline lineno="368"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;</highlight></codeline>
+<codeline lineno="369"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="370" refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1abe1ac512d878257e4130a922c99da594" kindref="member">gpu</ref>()</highlight></codeline>
+<codeline lineno="371"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="372"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>();</highlight></codeline>
+<codeline lineno="373"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>;</highlight></codeline>
+<codeline lineno="374"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="375"><highlight class="normal"></highlight></codeline>
+<codeline lineno="376" refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" kindref="member">cpu</ref>()</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="377"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="378"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="379"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;</highlight></codeline>
+<codeline lineno="380"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="381" refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a7e38eed7965829a986a7665de0b12396" kindref="member">cpu</ref>()</highlight></codeline>
+<codeline lineno="382"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="383"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="384"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>;</highlight></codeline>
+<codeline lineno="385"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="386"><highlight class="normal"></highlight></codeline>
+<codeline lineno="387" refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotransfer<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="388"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="389"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>==<sp/>0)</highlight></codeline>
+<codeline lineno="390"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="391"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="392"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="393"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="394"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="395"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="396"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>alloc_and_set_gpu(<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>);</highlight></codeline>
+<codeline lineno="397"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="398"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>-<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get();</highlight></codeline>
+<codeline lineno="399"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.set_buffer(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr<sp/>+<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>);</highlight></codeline>
+<codeline lineno="400"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="401"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>.data()<sp/>-<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get();</highlight></codeline>
+<codeline lineno="402"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.set_buffer(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get()<sp/>+<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ab1990983adc822e595a52ba83d689a9e" kindref="member">offset</ref>);</highlight></codeline>
+<codeline lineno="403"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="404"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="405"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="406"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" kindref="member">oncpu</ref>()<sp/>&amp;&amp;<sp/>dotransfer)</highlight></codeline>
+<codeline lineno="407"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="408"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyHostToDevice));</highlight></codeline>
+<codeline lineno="409"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="410"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="411"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>(void)dotransfer;</highlight></codeline>
+<codeline lineno="412"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="413"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)</highlight></codeline>
+<codeline lineno="414"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="415"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="416"><highlight class="normal"></highlight></codeline>
-<codeline lineno="417" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="418"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;tocpu();</highlight></codeline>
-<codeline lineno="419"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid[i];</highlight></codeline>
-<codeline lineno="420"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="421"><highlight class="normal"></highlight></codeline>
-<codeline lineno="422" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae358ca901023dc35845975cad12e35de" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae358ca901023dc35845975cad12e35de" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)<sp/>{</highlight></codeline>
-<codeline lineno="423"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;tocpu();</highlight></codeline>
-<codeline lineno="424"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid(a);</highlight></codeline>
-<codeline lineno="425"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="426"><highlight class="normal"></highlight></codeline>
-<codeline lineno="427" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="428"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;tocpu();</highlight></codeline>
-<codeline lineno="429"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid(a);</highlight></codeline>
-<codeline lineno="430"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="431"><highlight class="normal"></highlight></codeline>
-<codeline lineno="432" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5435aa93c62edc608d2c5c4ae871fb3b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5435aa93c62edc608d2c5c4ae871fb3b" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="433"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
-<codeline lineno="434"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kindref="member">clone_ptrs</ref>();</highlight></codeline>
-<codeline lineno="435"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
-<codeline lineno="436"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="437"><highlight class="normal"></highlight></codeline>
-<codeline lineno="438"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="439"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//only<sp/>called<sp/>from<sp/>regular<sp/>Grid</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="440" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a509c5cf770fc539a633de7e4a62fed08" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid&lt;Dtype,2&gt;</ref>;</highlight></codeline>
-<codeline lineno="441" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3f1228b111e708b7bbbc452ef95e851f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" kindref="compound">ManagedGrid&lt;Dtype,1&gt;</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase&lt;Dtype,2&gt;</ref>&amp;<sp/>G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i):</highlight></codeline>
-<codeline lineno="442"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase" kindref="compound">ManagedGridBase</ref>&lt;Dtype,1&gt;(G,<sp/>i)<sp/>{}</highlight></codeline>
+<codeline lineno="417" refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>(</highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotransfer<sp/>=<sp/></highlight><highlight class="keyword">true</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="418"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="419"><highlight class="normal"></highlight><highlight class="preprocessor">#if<sp/>LIBMOLGRID_USE_CUDA</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="420"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>()<sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>&gt;<sp/>0<sp/>&amp;&amp;<sp/>dotransfer)</highlight></codeline>
+<codeline lineno="421"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="422"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="common_8h_1aa79d03c876b7392cd06c1f77d5286b59" kindref="member">LMG_CUDA_CHECK</ref>(cudaMemcpy(<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get(),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;gpu_ptr,<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref><sp/>*<sp/></highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">(Dtype),<sp/>cudaMemcpyDeviceToHost));</highlight></codeline>
+<codeline lineno="423"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="424"><highlight class="normal"></highlight><highlight class="preprocessor">#else</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="425"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>(void)dotransfer;</highlight></codeline>
+<codeline lineno="426"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="427"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)</highlight></codeline>
+<codeline lineno="428"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="429"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="430"><highlight class="normal"></highlight></codeline>
+<codeline lineno="431" refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ffb36b58be9d3c48294d1f4e3366af8" kindref="member">ongpu</ref>()</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="432"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="433"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>ret<sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu;</highlight></codeline>
+<codeline lineno="434"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(ret<sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>.data()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)</highlight></codeline>
+<codeline lineno="435"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a18aaaed8a845f4c8ad9c30d0693e03c1" kindref="member">togpu</ref>(</highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="436"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="437"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="438"><highlight class="normal"></highlight></codeline>
+<codeline lineno="439" refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a2b2ad679c12e649d9b5a0fd8f03d3237" kindref="member">oncpu</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref><sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal"><sp/>||<sp/>!<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>-&gt;sent_to_gpu;<sp/>}</highlight></codeline>
+<codeline lineno="440"><highlight class="normal"></highlight></codeline>
+<codeline lineno="441" refid="classlibmolgrid_1_1ManagedGridBase_1a8c2b884f05b8f337cada06f5f978b588" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" kindref="member">cpu</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="442" refid="classlibmolgrid_1_1ManagedGridBase_1a535df4d8926149a00163552a34596d69" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aab951804b94d775517a3b614947401b5" kindref="member">cpu_grid_t</ref><sp/>&amp;()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a9f56cc3e11cf4cce21ae70f02ae30f03" kindref="member">cpu</ref>();<sp/>}</highlight></codeline>
 <codeline lineno="443"><highlight class="normal"></highlight></codeline>
-<codeline lineno="444"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="445"><highlight class="normal"></highlight></codeline>
+<codeline lineno="444" refid="classlibmolgrid_1_1ManagedGridBase_1a10b2f00260f2d9a097fbd7eda7bc9a4a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" kindref="member">gpu</ref>();<sp/>}</highlight></codeline>
+<codeline lineno="445" refid="classlibmolgrid_1_1ManagedGridBase_1ada677d2971fd6a2aad1277901804cdd2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">operator</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a67f5cdb60527c14d22585550dcc3cd20" kindref="member">gpu_grid_t</ref><sp/>&amp;()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a61bff83baa86b3508935fb2fe5085517" kindref="member">gpu</ref>();<sp/>}</highlight></codeline>
 <codeline lineno="446"><highlight class="normal"></highlight></codeline>
-<codeline lineno="447" refid="managed__grid_8h_1a3e4ee5d42d62ccb8164b3144cf138afe" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXPAND_MGRID_DEFINITIONS(Z,SIZE,_)<sp/>\</highlight></codeline>
-<codeline lineno="448"><highlight class="preprocessor">typedef<sp/>ManagedGrid&lt;float,<sp/>SIZE&gt;<sp/>MGrid##SIZE##f;<sp/>\</highlight></codeline>
-<codeline lineno="449"><highlight class="preprocessor">typedef<sp/>ManagedGrid&lt;double,<sp/>SIZE&gt;<sp/>MGrid##SIZE##d;</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="450"><highlight class="normal"></highlight></codeline>
-<codeline lineno="451"><highlight class="normal"></highlight></codeline>
-<codeline lineno="452"><highlight class="normal"><ref refid="namespacelibmolgrid_1abaefa4db48d107196d082640795579b1" kindref="member">BOOST_PP_REPEAT_FROM_TO</ref>(1,<ref refid="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" kindref="member">LIBMOLGRID_MAX_GRID_DIM</ref>,<sp/><ref refid="managed__grid_8h_1a3e4ee5d42d62ccb8164b3144cf138afe" kindref="member">EXPAND_MGRID_DEFINITIONS</ref>,<sp/>0);</highlight></codeline>
-<codeline lineno="453"><highlight class="normal"></highlight></codeline>
-<codeline lineno="454"><highlight class="normal">}</highlight></codeline>
-<codeline lineno="455"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>MANAGED_GRID_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="447" refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>Dtype<sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get();<sp/>}</highlight></codeline>
+<codeline lineno="448" refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>*<ref refid="classlibmolgrid_1_1ManagedGridBase_1a137c4c6f0a112459cdeef300b0fac6d8" kindref="member">data</ref>()<sp/>{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>.get();<sp/>}</highlight></codeline>
+<codeline lineno="449"><highlight class="normal"></highlight></codeline>
+<codeline lineno="450" refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a1a93843cbf5cdc9ed0a1bf5b4d760068" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>&amp;rhs)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="451"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="452"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref><sp/>==<sp/>rhs.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>;</highlight></codeline>
+<codeline lineno="453"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="454"><highlight class="normal"></highlight></codeline>
+<codeline lineno="455"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="456" refid="classlibmolgrid_1_1ManagedGridBase_1a6c87045e702e04c39474eed1c95fe24f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">friend</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>NumDims<sp/>-<sp/>1&gt;;</highlight></codeline>
+<codeline lineno="457" refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">explicit</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a91cffc514989351e3b586aa73754b63e" kindref="member">ManagedGridBase</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims + 1&gt;</ref><sp/>&amp;G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight></codeline>
+<codeline lineno="458"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acc10ace8d751619d302cbe0da8f37c6a" kindref="member">gpu_grid</ref>,<sp/>i),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>,<sp/>i),</highlight></codeline>
+<codeline lineno="459"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1acbdab43875a14ce91fc53eb6e18d4917" kindref="member">cpu_ptr</ref>),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ad721fc6ca6a3d6ba3bc506576622aab0" kindref="member">capacity</ref>),<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>(G.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a640c28374bd5458e6d9d6d219c76520f" kindref="member">gpu_info</ref>)<sp/>{}</highlight></codeline>
+<codeline lineno="460"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
+<codeline lineno="461"><highlight class="normal"></highlight></codeline>
+<codeline lineno="463"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype,<sp/>std::</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>NumDims&gt;</highlight></codeline>
+<codeline lineno="464" refid="classlibmolgrid_1_1ManagedGrid" refkind="compound"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref><sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref></highlight></codeline>
+<codeline lineno="465"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
+<codeline lineno="466"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="467" refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>*sizes)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>NumDims&gt;(sizes)<sp/>{}</highlight></codeline>
+<codeline lineno="468"><highlight class="normal"></highlight></codeline>
+<codeline lineno="469"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="470" refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" kindref="member">subgrid_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>NumDims<sp/>-<sp/>1&gt;;</highlight></codeline>
+<codeline lineno="471" refid="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_1a5f65ecf59323f2fdf69c9ba72425a1a5" kindref="member">base_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>;</highlight></codeline>
+<codeline lineno="472"><highlight class="normal"></highlight></codeline>
+<codeline lineno="473" refid="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="474"><highlight class="normal"></highlight></codeline>
+<codeline lineno="475"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal">...<sp/>I,<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>=<sp/></highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>std::enable_if&lt;</highlight><highlight class="keyword">sizeof</highlight><highlight class="normal">...(I)<sp/>==<sp/>NumDims&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a2d7497e2eb6dbb6b75ca3a4df279392b" kindref="member">::type</ref>&gt;</highlight></codeline>
+<codeline lineno="476" refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a450e51f93738ce2648184d4e7aa6bdde" kindref="member">ManagedGrid</ref>(I...<sp/>sizes)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref>(sizes...)<sp/>{}</highlight></codeline>
+<codeline lineno="477"><highlight class="normal"></highlight></codeline>
+<codeline lineno="478" refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a5db2efc52061d5082e5732a38778a80e" kindref="member">subgrid_t</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a14458c450fbf8c804da18d80f652224a" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="479"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="480"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal"><sp/>(i<sp/>&gt;=<sp/>this-&gt;cpu_grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0))</highlight></codeline>
+<codeline lineno="481"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::out_of_range(</highlight><highlight class="stringliteral">&quot;Index<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>boost::lexical_cast&lt;std::string&gt;(i)<sp/>+<sp/></highlight><highlight class="stringliteral">&quot;<sp/>out<sp/>of<sp/>bounds<sp/>of<sp/>dimension<sp/>&quot;</highlight><highlight class="normal"><sp/>+<sp/>boost::lexical_cast&lt;std::string&gt;(this-&gt;cpu_grid.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0)));</highlight></codeline>
+<codeline lineno="482"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>NumDims<sp/>-<sp/>1&gt;(*</highlight><highlight class="keyword">static_cast&lt;</highlight><highlight class="keyword">const<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, NumDims&gt;</ref><sp/>*</highlight><highlight class="keyword">&gt;</highlight><highlight class="normal">(</highlight><highlight class="keyword">this</highlight><highlight class="normal">),<sp/>i);</highlight></codeline>
+<codeline lineno="483"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="484"><highlight class="normal"></highlight></codeline>
+<codeline lineno="485" refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a87508fe5312eed68d669bc373cabb051" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="486"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="487"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="488"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kindref="member">clone_ptrs</ref>();</highlight></codeline>
+<codeline lineno="489"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="490"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="491"><highlight class="normal"></highlight></codeline>
+<codeline lineno="492"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Archive&gt;</highlight></codeline>
+<codeline lineno="493" refid="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a5888613434d5f36b8bd71f54206d7c8b" kindref="member">save</ref>(Archive<sp/>&amp;ar,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="494"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="495"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="496"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)</highlight></codeline>
+<codeline lineno="497"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&lt;&lt;<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" kindref="member">dimension</ref>(i);</highlight></codeline>
+<codeline lineno="498"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&lt;&lt;<sp/>boost::serialization::make_array(this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="499"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="500"><highlight class="normal"></highlight></codeline>
+<codeline lineno="501"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Archive&gt;</highlight></codeline>
+<codeline lineno="502" refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1a68dbd347886624cd725b8a26e5242ee2" kindref="member">load</ref>(Archive<sp/>&amp;ar,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version)</highlight></codeline>
+<codeline lineno="503"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="504"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>newdims[NumDims]<sp/>=<sp/>{0,};</highlight></codeline>
+<codeline lineno="505"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal"><sp/>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>NumDims;<sp/>i++)</highlight></codeline>
+<codeline lineno="506"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&gt;&gt;<sp/>newdims[i];</highlight></codeline>
+<codeline lineno="507"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid&lt;Dtype, NumDims&gt;</ref><sp/>tmp(newdims);</highlight></codeline>
+<codeline lineno="508"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&gt;&gt;<sp/>boost::serialization::make_array(tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="509"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>tmp;</highlight></codeline>
+<codeline lineno="510"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="511"><highlight class="normal"></highlight></codeline>
+<codeline lineno="512"><highlight class="normal"><sp/><sp/><sp/><sp/>BOOST_SERIALIZATION_SPLIT_MEMBER()</highlight></codeline>
+<codeline lineno="513"><highlight class="normal"></highlight></codeline>
+<codeline lineno="514"><highlight class="normal"><sp/><sp/>protected:</highlight></codeline>
+<codeline lineno="515" refid="classlibmolgrid_1_1ManagedGrid_1af59109eec7a2269b0dd17e7497f71e01" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>friend<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>NumDims<sp/>+<sp/>1&gt;;</highlight></codeline>
+<codeline lineno="516"><highlight class="normal"><sp/><sp/><sp/><sp/>explicit<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_1ae4a305bb736a214ff81f61229317d09b" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>NumDims&gt;(const<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>NumDims<sp/>+<sp/>1&gt;<sp/>&amp;G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>NumDims&gt;(G,<sp/>i)<sp/>{}</highlight></codeline>
+<codeline lineno="517"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
+<codeline lineno="518"><highlight class="normal"></highlight></codeline>
+<codeline lineno="519"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
+<codeline lineno="520" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" refkind="compound"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>1&gt;<sp/>:<sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>1&gt;</highlight></codeline>
+<codeline lineno="521"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
+<codeline lineno="522"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="523" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aee2fd0a001c66664abf20c3b1bbf9eee" kindref="member">subgrid_t</ref><sp/>=<sp/>Dtype;</highlight></codeline>
+<codeline lineno="524" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a07fd586f0921db2d99a7515f4de53c70" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">using<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a07fd586f0921db2d99a7515f4de53c70" kindref="member">base_t</ref><sp/>=<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase&lt;Dtype, 1&gt;</ref>;</highlight></codeline>
+<codeline lineno="525"><highlight class="normal"></highlight></codeline>
+<codeline lineno="526" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>()<sp/>=<sp/></highlight><highlight class="keywordflow">default</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="527" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3b6de4140da5abdd45cc065029a2e386" kindref="member">ManagedGrid</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>sz)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>1&gt;(sz)<sp/>{}</highlight></codeline>
+<codeline lineno="528"><highlight class="normal"></highlight></codeline>
+<codeline lineno="529" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1ae7c0704b5d3de1d20e51667beede4519" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight></codeline>
+<codeline lineno="530"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="531"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="532"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid[i];</highlight></codeline>
+<codeline lineno="533"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="534"><highlight class="normal"></highlight></codeline>
+<codeline lineno="535" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1aa9c9c223b686c7b2f66daafd40e34b60" kindref="member">operator[]</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="536"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="537"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="538"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;cpu_grid[i];</highlight></codeline>
+<codeline lineno="539"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="540"><highlight class="normal"></highlight></codeline>
+<codeline lineno="541" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/>&amp;<ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1af8d7c8dfb6a606417e0a5c04f5c4543e" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)</highlight></codeline>
+<codeline lineno="542"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="543"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="544"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(a);</highlight></codeline>
+<codeline lineno="545"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="546"><highlight class="normal"></highlight></codeline>
+<codeline lineno="547" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>Dtype<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a702d22411f97ff6b4818fdc4e52028ba" kindref="member">operator()</ref>(</highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>a)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="548"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="549"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="550"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a15003153752362a8e65e4b52637f44dc" kindref="member">cpu_grid</ref>(a);</highlight></codeline>
+<codeline lineno="551"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="552"><highlight class="normal"></highlight></codeline>
+<codeline lineno="553" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a033dd2bd802f44b51dd18bc8967cc521" kindref="member">clone</ref>()</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="554"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="555"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/>ret(*</highlight><highlight class="keyword">this</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="556"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ret.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" kindref="member">clone_ptrs</ref>();</highlight></codeline>
+<codeline lineno="557"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>ret;</highlight></codeline>
+<codeline lineno="558"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="559"><highlight class="normal"></highlight></codeline>
+<codeline lineno="560"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Archive&gt;</highlight></codeline>
+<codeline lineno="561" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a5888613434d5f36b8bd71f54206d7c8b" kindref="member">save</ref>(Archive<sp/>&amp;ar,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version)</highlight><highlight class="keyword"><sp/>const</highlight></codeline>
+<codeline lineno="562"><highlight class="keyword"><sp/><sp/><sp/><sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="563"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a3e9eb84f9344f6ca4eac9975f8f61386" kindref="member">tocpu</ref>();</highlight></codeline>
+<codeline lineno="564"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&lt;&lt;<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a4a86470b9f8e551e5a060872f9e5680e" kindref="member">dimension</ref>(0);</highlight></codeline>
+<codeline lineno="565"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&lt;&lt;<sp/>boost::serialization::make_array(this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>this-&gt;<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="566"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="567"><highlight class="normal"></highlight></codeline>
+<codeline lineno="568"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">class</highlight><highlight class="normal"><sp/>Archive&gt;</highlight></codeline>
+<codeline lineno="569" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a68dbd347886624cd725b8a26e5242ee2" kindref="member">load</ref>(Archive<sp/>&amp;ar,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>version)</highlight></codeline>
+<codeline lineno="570"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
+<codeline lineno="571"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>newdim<sp/>=<sp/>0;</highlight></codeline>
+<codeline lineno="572"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&gt;&gt;<sp/>newdim;</highlight></codeline>
+<codeline lineno="573"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid&lt;Dtype, 1&gt;</ref><sp/>tmp(newdim);</highlight></codeline>
+<codeline lineno="574"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>ar<sp/>&gt;&gt;<sp/>boost::serialization::make_array(tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1ab203920883cbdcfaa0e7be8da6d9d3e1" kindref="member">data</ref>(),<sp/>tmp.<ref refid="classlibmolgrid_1_1ManagedGridBase_1a259cb5a711406a8c3e5d937eb9350cca" kindref="member">size</ref>());</highlight></codeline>
+<codeline lineno="575"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>tmp;</highlight></codeline>
+<codeline lineno="576"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="577"><highlight class="normal"></highlight></codeline>
+<codeline lineno="578"><highlight class="normal"><sp/><sp/><sp/><sp/>BOOST_SERIALIZATION_SPLIT_MEMBER()</highlight></codeline>
+<codeline lineno="579"><highlight class="normal"></highlight></codeline>
+<codeline lineno="580"><highlight class="normal"><sp/><sp/>protected:</highlight></codeline>
+<codeline lineno="581" refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a3f1228b111e708b7bbbc452ef95e851f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>friend<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>2&gt;;</highlight></codeline>
+<codeline lineno="582"><highlight class="normal"><sp/><sp/><sp/><sp/>explicit<sp/><ref refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4_1a8ead5fb1d995fcaaa3a0be1e0b653b50" kindref="member">ManagedGrid</ref>&lt;Dtype,<sp/>1&gt;(const<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>2&gt;<sp/>&amp;G,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>i)<sp/>:<sp/><ref refid="classlibmolgrid_1_1ManagedGridBase_1aa352f347af293a5b9f46d7ae7cf3551f" kindref="member">ManagedGridBase</ref>&lt;Dtype,<sp/>1&gt;(G,<sp/>i)<sp/>{}</highlight></codeline>
+<codeline lineno="583"><highlight class="normal"><sp/><sp/>};</highlight></codeline>
+<codeline lineno="584"><highlight class="normal"></highlight></codeline>
+<codeline lineno="585" refid="managed__grid_8h_1a3e4ee5d42d62ccb8164b3144cf138afe" refkind="member"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>EXPAND_MGRID_DEFINITIONS(Z,<sp/>SIZE,<sp/>_)<sp/><sp/><sp/><sp/><sp/><sp/><sp/>\</highlight></codeline>
+<codeline lineno="586"><highlight class="preprocessor"><sp/><sp/>typedef<sp/>ManagedGrid&lt;float,<sp/>SIZE&gt;<sp/>MGrid##SIZE##f;<sp/>\</highlight></codeline>
+<codeline lineno="587"><highlight class="preprocessor"><sp/><sp/>typedef<sp/>ManagedGrid&lt;double,<sp/>SIZE&gt;<sp/>MGrid##SIZE##d;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="588"><highlight class="normal"></highlight></codeline>
+<codeline lineno="589" refid="namespacelibmolgrid_1a7c59c34e84b65360fe59e2d68debdfee" refkind="member"><highlight class="normal"><sp/><sp/><ref refid="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7" kindref="member">BOOST_PP_REPEAT_FROM_TO</ref>(1,<sp/><ref refid="libmolgrid_8h_1aecdd40dd95edce99f66998b301481d75" kindref="member">LIBMOLGRID_MAX_GRID_DIM</ref>,<sp/><ref refid="managed__grid_8h_1a3e4ee5d42d62ccb8164b3144cf138afe" kindref="member">EXPAND_MGRID_DEFINITIONS</ref>,<sp/>0);</highlight></codeline>
+<codeline lineno="590"><highlight class="normal"></highlight></codeline>
+<codeline lineno="591"><highlight class="normal">}<sp/></highlight><highlight class="comment">//<sp/>namespace<sp/>libmolgrid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="592"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>MANAGED_GRID_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/metal__context_8h.xml b/docs/cpp/xml/metal__context_8h.xml
new file mode 100644
index 00000000..bc163e0a
--- /dev/null
+++ b/docs/cpp/xml/metal__context_8h.xml
@@ -0,0 +1,238 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="metal__context_8h" kind="file" language="C++">
+    <compoundname>metal_context.h</compoundname>
+    <includes local="no">cstddef</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
+    <incdepgraph>
+      <node id="3">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+      </node>
+      <node id="1">
+        <label>metal_context.h</label>
+        <link refid="metal__context_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>cstddef</label>
+      </node>
+      <node id="5">
+        <label>cstring</label>
+      </node>
+      <node id="7">
+        <label>iostream</label>
+      </node>
+      <node id="9">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="4">
+        <label>memory</label>
+      </node>
+      <node id="6">
+        <label>stdexcept</label>
+      </node>
+      <node id="8">
+        <label>string</label>
+      </node>
+    </incdepgraph>
+    <innerclass refid="structlibmolgrid_1_1GridMakerParams" prot="public">libmolgrid::GridMakerParams</innerclass>
+    <innerclass refid="structlibmolgrid_1_1QuatParams" prot="public">libmolgrid::QuatParams</innerclass>
+    <innerclass refid="structlibmolgrid_1_1GridDesc" prot="public">libmolgrid::GridDesc</innerclass>
+    <innerclass refid="classlibmolgrid_1_1MetalContext" prot="public">libmolgrid::MetalContext</innerclass>
+    <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
+    <programlisting>
+<codeline lineno="1"><highlight class="comment">/*</highlight></codeline>
+<codeline lineno="2"><highlight class="comment"><sp/>*<sp/>metal_context.h</highlight></codeline>
+<codeline lineno="3"><highlight class="comment"><sp/>*</highlight></codeline>
+<codeline lineno="4"><highlight class="comment"><sp/>*<sp/>Singleton<sp/>that<sp/>owns<sp/>the<sp/>Metal<sp/>device,<sp/>command<sp/>queue,<sp/>compiled<sp/>shader<sp/>library,</highlight></codeline>
+<codeline lineno="5"><highlight class="comment"><sp/>*<sp/>and<sp/>per-kernel<sp/>compute<sp/>pipeline<sp/>states.<sp/><sp/>All<sp/>GPU<sp/>dispatch<sp/>goes<sp/>through<sp/>here.</highlight></codeline>
+<codeline lineno="6"><highlight class="comment"><sp/>*</highlight></codeline>
+<codeline lineno="7"><highlight class="comment"><sp/>*<sp/>The<sp/>API<sp/>is<sp/>plain<sp/>C++<sp/>so<sp/>that<sp/>callers<sp/>(.cpp<sp/>/<sp/>.mm<sp/>source<sp/>files)<sp/>can<sp/>use<sp/>it</highlight></codeline>
+<codeline lineno="8"><highlight class="comment"><sp/>*<sp/>without<sp/>pulling<sp/>in<sp/>any<sp/>Objective-C<sp/>headers.<sp/><sp/>The<sp/>implementation<sp/>is<sp/>in</highlight></codeline>
+<codeline lineno="9"><highlight class="comment"><sp/>*<sp/>metal_context.mm<sp/>(Objective-C++).</highlight></codeline>
+<codeline lineno="10"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>METAL_CONTEXT_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>METAL_CONTEXT_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cstddef&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="17"><highlight class="normal"></highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="19"><highlight class="normal"></highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="comment">//<sp/>----<sp/>POD<sp/>structs<sp/>passed<sp/>to<sp/>Metal<sp/>kernels<sp/>as<sp/>constant<sp/>buffers<sp/>---------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="21"><highlight class="normal"></highlight></codeline>
+<codeline lineno="22"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Mirrors<sp/>GridMaker<sp/>member<sp/>variables<sp/>needed<sp/>inside<sp/>the<sp/>Metal<sp/>shaders.</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="23" refid="structlibmolgrid_1_1GridMakerParams" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref><sp/>{</highlight></codeline>
+<codeline lineno="24" refid="structlibmolgrid_1_1GridMakerParams_1a4333d786c60465d20826583358b2798d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a4333d786c60465d20826583358b2798d" kindref="member">resolution</ref>;</highlight></codeline>
+<codeline lineno="25" refid="structlibmolgrid_1_1GridMakerParams_1a89e0bef89186145cd5f5a1d2d1ab3b15" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a89e0bef89186145cd5f5a1d2d1ab3b15" kindref="member">dimension</ref>;</highlight></codeline>
+<codeline lineno="26" refid="structlibmolgrid_1_1GridMakerParams_1a274d43680ceffb680b2edcf6fd36dd22" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a274d43680ceffb680b2edcf6fd36dd22" kindref="member">radius_scale</ref>;</highlight></codeline>
+<codeline lineno="27" refid="structlibmolgrid_1_1GridMakerParams_1a742dd8c218dd065c02d905dd69649d81" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a742dd8c218dd065c02d905dd69649d81" kindref="member">gaussian_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="28" refid="structlibmolgrid_1_1GridMakerParams_1a780e58b160ad2d376bbd4df1dfa59ae5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a780e58b160ad2d376bbd4df1dfa59ae5" kindref="member">final_radius_multiple</ref>;</highlight></codeline>
+<codeline lineno="29" refid="structlibmolgrid_1_1GridMakerParams_1ad0fae016647bf6b083c331ca152b50e1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1ad0fae016647bf6b083c331ca152b50e1" kindref="member">A</ref>,<sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a8188fea1f6709096fe21a3ee084d00d0" kindref="member">B</ref>,<sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1ad12b105c602c51bd04d7763f600688cc" kindref="member">C</ref>;<sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Gaussian<sp/>density<sp/>coefficients</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="30" refid="structlibmolgrid_1_1GridMakerParams_1aa6702f5ca985a5b97e1534be9d374bba" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1aa6702f5ca985a5b97e1534be9d374bba" kindref="member">D</ref>,<sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1a5b514bbfa4713e7bcf9c6a367cb6ebfe" kindref="member">E</ref>;<sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Backward-pass<sp/>coefficients</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="31" refid="structlibmolgrid_1_1GridMakerParams_1aece1bc3fff4b670afc08354a6d995a0e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1aece1bc3fff4b670afc08354a6d995a0e" kindref="member">dim</ref>;<sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>grid<sp/>points<sp/>per<sp/>side</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="32" refid="structlibmolgrid_1_1GridMakerParams_1aabf0455a121a78c3321a8cb78bb5cbc0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1aabf0455a121a78c3321a8cb78bb5cbc0" kindref="member">binary</ref>;<sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>bool<sp/>as<sp/>int<sp/>for<sp/>Metal<sp/>alignment</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="33" refid="structlibmolgrid_1_1GridMakerParams_1af595bd59e2468eef370e3d4c14bcec13" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams_1af595bd59e2468eef370e3d4c14bcec13" kindref="member">radii_type_indexed</ref>;</highlight></codeline>
+<codeline lineno="34"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"></highlight></codeline>
+<codeline lineno="36"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Quaternion<sp/>POD<sp/>for<sp/>Metal<sp/>kernels</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="37" refid="structlibmolgrid_1_1QuatParams" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref><sp/>{</highlight></codeline>
+<codeline lineno="38" refid="structlibmolgrid_1_1QuatParams_1a4aec1a5be9d9a4a394a2e49e9744286e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1QuatParams_1a4aec1a5be9d9a4a394a2e49e9744286e" kindref="member">a</ref>,<sp/><ref refid="structlibmolgrid_1_1QuatParams_1a83fc1af92e29717b4513d121b0c72c7d" kindref="member">b</ref>,<sp/><ref refid="structlibmolgrid_1_1QuatParams_1ae78103ab33f03590e84ff7bc735629d7" kindref="member">c</ref>,<sp/><ref refid="structlibmolgrid_1_1QuatParams_1a3fbbd8a3959e76a2bc3455d3bade52dc" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="39"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"></highlight></codeline>
+<codeline lineno="41"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Grid<sp/>layout<sp/>descriptor<sp/>(pointer<sp/>+<sp/>up<sp/>to<sp/>5<sp/>dimensions<sp/>+<sp/>strides)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="42" refid="structlibmolgrid_1_1GridDesc" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibmolgrid_1_1GridDesc" kindref="compound">GridDesc</ref><sp/>{</highlight></codeline>
+<codeline lineno="43" refid="structlibmolgrid_1_1GridDesc_1a7feefe7e22efd624e1da84c82e6f87a5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">long</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">long</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridDesc_1a7feefe7e22efd624e1da84c82e6f87a5" kindref="member">ptr</ref>;<sp/></highlight><highlight class="comment">//<sp/>cast<sp/>from<sp/>void*<sp/>(kernel<sp/>receives<sp/>device<sp/>pointer<sp/>via<sp/>buffer<sp/>slot)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="44" refid="structlibmolgrid_1_1GridDesc_1a3363690fae3830a143379aa6c835a20c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridDesc_1a3363690fae3830a143379aa6c835a20c" kindref="member">dim</ref>[5];</highlight></codeline>
+<codeline lineno="45" refid="structlibmolgrid_1_1GridDesc_1a0e30e5b31f45abcf7be8a77dd750795c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridDesc_1a0e30e5b31f45abcf7be8a77dd750795c" kindref="member">off</ref>[5];</highlight></codeline>
+<codeline lineno="46" refid="structlibmolgrid_1_1GridDesc_1a5d8c6aebb8eed92404c66479c85740b6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridDesc_1a5d8c6aebb8eed92404c66479c85740b6" kindref="member">ndim</ref>;</highlight></codeline>
+<codeline lineno="47"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"></highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight><highlight class="comment">//<sp/>----<sp/>MetalContext<sp/>-----------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="50"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51" refid="classlibmolgrid_1_1MetalContext" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal">MetalContext<sp/>{</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="54" refid="classlibmolgrid_1_1MetalContext_1ae321969c74eacd13c9b40b985767db5c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/>MetalContext&amp;<sp/><ref refid="classlibmolgrid_1_1MetalContext_1ae321969c74eacd13c9b40b985767db5c" kindref="member">instance</ref>();</highlight></codeline>
+<codeline lineno="55"><highlight class="normal"></highlight></codeline>
+<codeline lineno="56"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>Transform<sp/>kernels<sp/>--------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="57"><highlight class="normal"></highlight></codeline>
+<codeline lineno="58" refid="classlibmolgrid_1_1MetalContext_1ae5a02f3075f1843fa46a433d2b16efc8" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1ae5a02f3075f1843fa46a433d2b16efc8" kindref="member">transform_forward</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n,</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref>&amp;<sp/>Q,</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>translate,</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>in,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>out,</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate);</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"></highlight></codeline>
+<codeline lineno="64" refid="classlibmolgrid_1_1MetalContext_1a90350a40a1c470c141d44d320461e201" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a90350a40a1c470c141d44d320461e201" kindref="member">transform_backward</ref>(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>n,</highlight></codeline>
+<codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref>&amp;<sp/>invQ,</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>translate,</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>in,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>out,</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate);</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"></highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>CoordinateSet<sp/>kernels<sp/>----------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="71"><highlight class="normal"></highlight></codeline>
+<codeline lineno="72" refid="classlibmolgrid_1_1MetalContext_1a4ed04e95643aa7da2f6e1d63a19c7bf9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a4ed04e95643aa7da2f6e1d63a19c7bf9" kindref="member">sum_vector_types</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>types,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
+<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>sum);</highlight></codeline>
+<codeline lineno="74"><highlight class="normal"></highlight></codeline>
+<codeline lineno="75" refid="classlibmolgrid_1_1MetalContext_1a7ef7d7a9abc2fbcdcad9a4fd211ba68b" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a7ef7d7a9abc2fbcdcad9a4fd211ba68b" kindref="member">sum_index_types</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_index,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>sum);</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"></highlight></codeline>
+<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>GridMaker<sp/>forward<sp/>kernels<sp/>------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="79"><highlight class="normal"></highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Index-typed<sp/>atoms<sp/>(binary<sp/>or<sp/>gaussian)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="81" refid="classlibmolgrid_1_1MetalContext_1a05e75cadeeecf3682f850672d7ef615f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a05e75cadeeecf3682f850672d7ef615f" kindref="member">forward_index</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_index,</highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>out,</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim,</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>binary);</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"></highlight></codeline>
+<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Vector-typed<sp/>atoms<sp/>(binary<sp/>or<sp/>gaussian,<sp/>optionally<sp/>type-indexed<sp/>radii)</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="91" refid="classlibmolgrid_1_1MetalContext_1a882b75575ae1889226bbe760756c218c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a882b75575ae1889226bbe760756c218c" kindref="member">forward_vec</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_vector,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>maxradius,</highlight></codeline>
+<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>out,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim,</highlight></codeline>
+<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>binary,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>radii_type_indexed);</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"></highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>GridMaker<sp/>backward<sp/>kernels<sp/>-----------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="100"><highlight class="normal"></highlight></codeline>
+<codeline lineno="101" refid="classlibmolgrid_1_1MetalContext_1a19739d441229acd3b734d7fcb38a2446" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a19739d441229acd3b734d7fcb38a2446" kindref="member">backward_index</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_index,</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>grid,</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>atom_gradients,</highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim);</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"></highlight></codeline>
+<codeline lineno="110" refid="classlibmolgrid_1_1MetalContext_1a00024e9e2ddbabb54afbe1bf72a7524d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a00024e9e2ddbabb54afbe1bf72a7524d" kindref="member">backward_vec</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_vector,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,</highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>grid,</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>atom_gradients,</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="118"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim,</highlight></codeline>
+<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>radii_type_indexed);</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"></highlight></codeline>
+<codeline lineno="121" refid="classlibmolgrid_1_1MetalContext_1a7bc2c6add7e0c9f38242a238d35580cc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a7bc2c6add7e0c9f38242a238d35580cc" kindref="member">backward_gradients</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,</highlight></codeline>
+<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_vector,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,</highlight></codeline>
+<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>diff,</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>atom_gradients,</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_gradients,</highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>diffdiff,</highlight></codeline>
+<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>atom_diffdiff,</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_diffdiff,</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim,</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>radii_type_indexed);</highlight></codeline>
+<codeline lineno="134"><highlight class="normal"></highlight></codeline>
+<codeline lineno="135" refid="classlibmolgrid_1_1MetalContext_1a38708a303cbb4863a1a7dab10c52f2d6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a38708a303cbb4863a1a7dab10c52f2d6" kindref="member">backward_relevance</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1GridMakerParams" kindref="compound">GridMakerParams</ref>&amp;<sp/>gm,</highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>grid_origin,</highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>coords,</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>type_index,</highlight></codeline>
+<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>radii,</highlight></codeline>
+<codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>density,</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>diff,</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>relevance,</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>natoms,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>ntypes,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>dim);</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"></highlight></codeline>
+<codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>GridInterpolater<sp/>kernel<sp/>--------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="146"><highlight class="normal"></highlight></codeline>
+<codeline lineno="147" refid="classlibmolgrid_1_1MetalContext_1a3f18f716da84cc0d4dedfc9cce239d89" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a3f18f716da84cc0d4dedfc9cce239d89" kindref="member">grid_interpolate</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>in,<sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>in_dim,</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>in_origin,<sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>in_res,</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibmolgrid_1_1QuatParams" kindref="compound">QuatParams</ref>&amp;<sp/>invQ,</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>untranslate,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center,</highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>out,<sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>out_dim,</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>out_origin,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>out_res);</highlight></codeline>
+<codeline lineno="153"><highlight class="normal"></highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>----<sp/>Utility<sp/>------------------------------------------------------------</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="155"><highlight class="normal"></highlight></codeline>
+<codeline lineno="157" refid="classlibmolgrid_1_1MetalContext_1a4c578a8ed0ed5d51eb74fcdda179f956" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1a4c578a8ed0ed5d51eb74fcdda179f956" kindref="member">synchronize</ref>();</highlight></codeline>
+<codeline lineno="158"><highlight class="normal"></highlight></codeline>
+<codeline lineno="160" refid="classlibmolgrid_1_1MetalContext_1aad45956d4fcddc30c0885bd183a880b9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1MetalContext_1aad45956d4fcddc30c0885bd183a880b9" kindref="member">max_element</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal">*<sp/>data,<sp/></highlight><highlight class="keywordtype">size_t</highlight><highlight class="normal"><sp/>n);</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"></highlight></codeline>
+<codeline lineno="162"><highlight class="normal"></highlight><highlight class="keyword">private</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/>MetalContext();</highlight></codeline>
+<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/>~MetalContext();</highlight></codeline>
+<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/>MetalContext(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>MetalContext&amp;)<sp/>=<sp/></highlight><highlight class="keyword">delete</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/>MetalContext&amp;<sp/>operator=(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>MetalContext&amp;)<sp/>=<sp/></highlight><highlight class="keyword">delete</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="167"><highlight class="normal"></highlight></codeline>
+<codeline lineno="168"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal">Impl;</highlight></codeline>
+<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/>Impl*<sp/>impl_;</highlight></codeline>
+<codeline lineno="170"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="171"><highlight class="normal"></highlight></codeline>
+<codeline lineno="172"><highlight class="normal">}<sp/></highlight><highlight class="comment">//<sp/>namespace<sp/>libmolgrid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="173"><highlight class="normal"></highlight></codeline>
+<codeline lineno="174"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>METAL_CONTEXT_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+    </programlisting>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h"/>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/namespaceOpenBabel.xml b/docs/cpp/xml/namespaceOpenBabel.xml
index 01024e45..1f85b1d3 100644
--- a/docs/cpp/xml/namespaceOpenBabel.xml
+++ b/docs/cpp/xml/namespaceOpenBabel.xml
@@ -1,11 +1,11 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="namespaceOpenBabel" kind="namespace" language="C++">
     <compoundname>OpenBabel</compoundname>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="26" column="1"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="26" column="1"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/namespaceboost.xml b/docs/cpp/xml/namespaceboost.xml
index 7b052cd7..2cf0caa3 100644
--- a/docs/cpp/xml/namespaceboost.xml
+++ b/docs/cpp/xml/namespaceboost.xml
@@ -1,11 +1,11 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="namespaceboost" kind="namespace" language="C++">
     <compoundname>boost</compoundname>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="18" column="1"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="18" column="1"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/namespaceboost_1_1algorithm.xml b/docs/cpp/xml/namespaceboost_1_1algorithm.xml
index f1e7ce40..ec37a31b 100644
--- a/docs/cpp/xml/namespaceboost_1_1algorithm.xml
+++ b/docs/cpp/xml/namespaceboost_1_1algorithm.xml
@@ -1,11 +1,11 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="namespaceboost_1_1algorithm" kind="namespace" language="C++">
     <compoundname>boost::algorithm</compoundname>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/src/exampleref_providers.cpp" line="14" column="1"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/exampleref_providers.cpp" line="14" column="1"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/namespacelibmolgrid.xml b/docs/cpp/xml/namespacelibmolgrid.xml
index f5f03ca9..6ffc7331 100644
--- a/docs/cpp/xml/namespacelibmolgrid.xml
+++ b/docs/cpp/xml/namespacelibmolgrid.xml
@@ -1,55 +1,60 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="namespacelibmolgrid" kind="namespace" language="C++">
     <compoundname>libmolgrid</compoundname>
-    <innerclass refid="classlibmolgrid_1_1AtomIndexTypeMapper" prot="public">libmolgrid::AtomIndexTypeMapper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1AtomIndexTyper" prot="public">libmolgrid::AtomIndexTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1AtomTyper" prot="public">libmolgrid::AtomTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1AtomIndexTyper" prot="public">libmolgrid::AtomIndexTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1AtomVectorTyper" prot="public">libmolgrid::AtomVectorTyper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1BalancedExampleRefProvider" prot="public">libmolgrid::BalancedExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1AtomIndexTypeMapper" prot="public">libmolgrid::AtomIndexTypeMapper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1GninaIndexTyper" prot="public">libmolgrid::GninaIndexTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ElementIndexTyper" prot="public">libmolgrid::ElementIndexTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1NullIndexTyper" prot="public">libmolgrid::NullIndexTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1CallbackIndexTyper" prot="public">libmolgrid::CallbackIndexTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public">libmolgrid::MappedAtomIndexTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1GninaVectorTyper" prot="public">libmolgrid::GninaVectorTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1CallbackVectorTyper" prot="public">libmolgrid::CallbackVectorTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1FileAtomMapper" prot="public">libmolgrid::FileAtomMapper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1SubsetAtomMapper" prot="public">libmolgrid::SubsetAtomMapper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1SubsettedElementTyper" prot="public">libmolgrid::SubsettedElementTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1SubsettedGninaTyper" prot="public">libmolgrid::SubsettedGninaTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1FileMappedElementTyper" prot="public">libmolgrid::FileMappedElementTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1FileMappedGninaTyper" prot="public">libmolgrid::FileMappedGninaTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1CartesianGrid" prot="public">libmolgrid::CartesianGrid</innerclass>
     <innerclass refid="classlibmolgrid_1_1CoordCache" prot="public">libmolgrid::CoordCache</innerclass>
     <innerclass refid="structlibmolgrid_1_1CoordinateSet" prot="public">libmolgrid::CoordinateSet</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ElementIndexTyper" prot="public">libmolgrid::ElementIndexTyper</innerclass>
+    <innerclass refid="structlibmolgrid_1_1ExampleProviderSettings" prot="public">libmolgrid::ExampleProviderSettings</innerclass>
     <innerclass refid="structlibmolgrid_1_1Example" prot="public">libmolgrid::Example</innerclass>
+    <innerclass refid="structlibmolgrid_1_1ExampleRef" prot="public">libmolgrid::ExampleRef</innerclass>
     <innerclass refid="classlibmolgrid_1_1ExampleDataset" prot="public">libmolgrid::ExampleDataset</innerclass>
     <innerclass refid="classlibmolgrid_1_1ExampleExtractor" prot="public">libmolgrid::ExampleExtractor</innerclass>
     <innerclass refid="classlibmolgrid_1_1ExampleProvider" prot="public">libmolgrid::ExampleProvider</innerclass>
-    <innerclass refid="structlibmolgrid_1_1ExampleProviderSettings" prot="public">libmolgrid::ExampleProviderSettings</innerclass>
-    <innerclass refid="structlibmolgrid_1_1ExampleRef" prot="public">libmolgrid::ExampleRef</innerclass>
     <innerclass refid="classlibmolgrid_1_1ExampleRefProvider" prot="public">libmolgrid::ExampleRefProvider</innerclass>
-    <innerclass refid="classlibmolgrid_1_1FileAtomMapper" prot="public">libmolgrid::FileAtomMapper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1FileMappedElementTyper" prot="public">libmolgrid::FileMappedElementTyper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1FileMappedGninaTyper" prot="public">libmolgrid::FileMappedGninaTyper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1GninaIndexTyper" prot="public">libmolgrid::GninaIndexTyper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1GninaVectorTyper" prot="public">libmolgrid::GninaVectorTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1UniformExampleRefProvider" prot="public">libmolgrid::UniformExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1BalancedExampleRefProvider" prot="public">libmolgrid::BalancedExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1SamplingExampleRefProvider" prot="public">libmolgrid::SamplingExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" prot="public">libmolgrid::ReceptorStratifiedExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" prot="public">libmolgrid::ValueStratifiedExampleRefProfider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1GroupedExampleRefProvider" prot="public">libmolgrid::GroupedExampleRefProvider</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ManagedGrid" prot="public">libmolgrid::ManagedGrid</innerclass>
     <innerclass refid="classlibmolgrid_1_1Grid" prot="public">libmolgrid::Grid</innerclass>
     <innerclass refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4" prot="public">libmolgrid::Grid&lt; Dtype, 1, isCUDA &gt;</innerclass>
     <innerclass refid="classlibmolgrid_1_1GridInterpolater" prot="public">libmolgrid::GridInterpolater</innerclass>
     <innerclass refid="classlibmolgrid_1_1GridMaker" prot="public">libmolgrid::GridMaker</innerclass>
-    <innerclass refid="classlibmolgrid_1_1GroupedExampleRefProvider" prot="public">libmolgrid::GroupedExampleRefProvider</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ManagedGrid" prot="public">libmolgrid::ManagedGrid</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" prot="public">libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ManagedGridBase" prot="public">libmolgrid::ManagedGridBase</innerclass>
-    <innerclass refid="classlibmolgrid_1_1MappedAtomIndexTyper" prot="public">libmolgrid::MappedAtomIndexTyper</innerclass>
     <innerclass refid="structlibmolgrid_1_1mgrid__buffer__data" prot="public">libmolgrid::mgrid_buffer_data</innerclass>
-    <innerclass refid="classlibmolgrid_1_1NullIndexTyper" prot="public">libmolgrid::NullIndexTyper</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ManagedGridBase" prot="public">libmolgrid::ManagedGridBase</innerclass>
+    <innerclass refid="classlibmolgrid_1_1ManagedGrid_3_01Dtype_00_011_01_4" prot="public">libmolgrid::ManagedGrid&lt; Dtype, 1 &gt;</innerclass>
+    <innerclass refid="structlibmolgrid_1_1GridMakerParams" prot="public">libmolgrid::GridMakerParams</innerclass>
+    <innerclass refid="structlibmolgrid_1_1QuatParams" prot="public">libmolgrid::QuatParams</innerclass>
+    <innerclass refid="structlibmolgrid_1_1GridDesc" prot="public">libmolgrid::GridDesc</innerclass>
+    <innerclass refid="classlibmolgrid_1_1MetalContext" prot="public">libmolgrid::MetalContext</innerclass>
     <innerclass refid="classlibmolgrid_1_1Quaternion" prot="public">libmolgrid::Quaternion</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider" prot="public">libmolgrid::ReceptorStratifiedExampleRefProvider</innerclass>
-    <innerclass refid="classlibmolgrid_1_1SamplingExampleRefProvider" prot="public">libmolgrid::SamplingExampleRefProvider</innerclass>
     <innerclass refid="classlibmolgrid_1_1StringCache" prot="public">libmolgrid::StringCache</innerclass>
-    <innerclass refid="classlibmolgrid_1_1SubsetAtomMapper" prot="public">libmolgrid::SubsetAtomMapper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1SubsettedElementTyper" prot="public">libmolgrid::SubsettedElementTyper</innerclass>
-    <innerclass refid="classlibmolgrid_1_1SubsettedGninaTyper" prot="public">libmolgrid::SubsettedGninaTyper</innerclass>
     <innerclass refid="classlibmolgrid_1_1Transform" prot="public">libmolgrid::Transform</innerclass>
-    <innerclass refid="classlibmolgrid_1_1UniformExampleRefProvider" prot="public">libmolgrid::UniformExampleRefProvider</innerclass>
-    <innerclass refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider" prot="public">libmolgrid::ValueStratifiedExampleRefProfider</innerclass>
-      <sectiondef kind="enum">
+    <sectiondef kind="enum">
       <memberdef kind="enum" id="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979" prot="public" static="no" strong="no">
         <type></type>
         <name>IterationScheme</name>
+        <qualifiedname>libmolgrid::IterationScheme</qualifiedname>
         <enumvalue id="namespacelibmolgrid_1a7b0a2a4d965f9a6c2aaaec9cf37ed979a6cb140948cbeedb9f7182dd4027e5e37" prot="public">
           <name>Continuous</name>
           <initializer>= 0</initializer>
@@ -80,11 +85,12 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="21" column="21" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="21" bodyend="21"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="22" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="22" bodyend="22"/>
       </memberdef>
       <memberdef kind="enum" id="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" prot="public" static="no" strong="no">
         <type></type>
         <name>LogLevel</name>
+        <qualifiedname>libmolgrid::LogLevel</qualifiedname>
         <enumvalue id="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9a748005382152808a72b1a9177d9dc806" prot="public">
           <name>INFO</name>
           <briefdescription>
@@ -119,43 +125,46 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" line="22" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="22" bodyend="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="22" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="22" bodyend="22"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="typedef">
+    </sectiondef>
+    <sectiondef kind="typedef">
       <memberdef kind="typedef" id="namespacelibmolgrid_1a3f0b7d1200a69162b68f8226c9764a95" prot="public" static="no">
         <type><ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid</ref>&lt; <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; float, 3 &gt; &gt;</type>
-        <definition>using CartesianMGrid =  CartesianGrid&lt;ManagedGrid&lt;float, 3&gt; &gt;</definition>
+        <definition>using CartesianMGrid = CartesianGrid&lt;ManagedGrid&lt;float, 3&gt; &gt;</definition>
         <argsstring></argsstring>
         <name>CartesianMGrid</name>
+        <qualifiedname>libmolgrid::CartesianMGrid</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" line="65" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="65" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" line="65" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/cartesian_grid.h" bodystart="65" bodyend="-1"/>
       </memberdef>
       <memberdef kind="typedef" id="namespacelibmolgrid_1a7279d61df03794f106ab563c49049052" prot="public" static="no">
-        <type>::float3</type>
-        <definition>using cuda_float3 =  ::float3</definition>
+        <type><ref refid="structfloat3" kindref="compound">::float3</ref></type>
+        <definition>using cuda_float3 = ::float3</definition>
         <argsstring></argsstring>
         <name>cuda_float3</name>
+        <qualifiedname>libmolgrid::cuda_float3</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" line="21" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="21" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="21" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="21" bodyend="-1"/>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="var">
+    </sectiondef>
+    <sectiondef kind="var">
       <memberdef kind="variable" id="namespacelibmolgrid_1aed6bc2269142acee6e4fdd214209c175" prot="public" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref></type>
         <definition>FileMappedGninaTyper defaultGninaReceptorTyper(recmap)</definition>
         <argsstring></argsstring>
         <name>defaultGninaReceptorTyper</name>
+        <qualifiedname>libmolgrid::defaultGninaReceptorTyper</qualifiedname>
         <briefdescription>
 <para>default types for receptor AliphaticCarbonXSHydrophobe AliphaticCarbonXSNonHydrophobe AromaticCarbonXSHydrophobe AromaticCarbonXSNonHydrophobe Bromine Iodine Chlorine Fluorine Nitrogen NitrogenXSAcceptor NitrogenXSDonor NitrogenXSDonorAcceptor Oxygen OxygenXSAcceptor OxygenXSDonorAcceptor OxygenXSDonor Sulfur SulfurAcceptor Phosphorus Calcium Zinc GenericMetal Boron Manganese Magnesium Iron </para>
         </briefdescription>
@@ -163,13 +172,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="533" column="22" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" declline="635" declcolumn="29"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="533" column="22" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" declline="635" declcolumn="29"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" compoundref="example__dataset_8cpp" startline="15" endline="22">ExampleDataset::ExampleDataset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" compoundref="example__provider_8cpp" startline="15" endline="22">ExampleProvider::ExampleProvider</referencedby>
       </memberdef>
       <memberdef kind="variable" id="namespacelibmolgrid_1a371ec05022b3d175a5b02d540f947ac2" prot="public" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref></type>
         <definition>FileMappedGninaTyper defaultGninaLigandTyper(ligmap)</definition>
         <argsstring></argsstring>
         <name>defaultGninaLigandTyper</name>
+        <qualifiedname>libmolgrid::defaultGninaLigandTyper</qualifiedname>
         <briefdescription>
 <para>default types for ligand AliphaticCarbonXSHydrophobe AliphaticCarbonXSNonHydrophobe AromaticCarbonXSHydrophobe AromaticCarbonXSNonHydrophobe Bromine Iodine Chlorine Fluorine Nitrogen NitrogenXSAcceptor NitrogenXSDonor NitrogenXSDonorAcceptor Oxygen OxygenXSAcceptor OxygenXSDonorAcceptor OxygenXSDonor Sulfur SulfurAcceptor Phosphorus GenericMetal Boron Manganese Magnesium Zinc Calcium Iron </para>
         </briefdescription>
@@ -177,29 +189,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="534" column="22" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" declline="653" declcolumn="29"/>
-      </memberdef>
-      <memberdef kind="variable" id="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" prot="public" static="no" mutable="no">
-        <type><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref></type>
-        <definition>StringCache string_cache</definition>
-        <argsstring></argsstring>
-        <name>string_cache</name>
-        <briefdescription>
-        </briefdescription>
-        <detaileddescription>
-        </detaileddescription>
-        <inbodydescription>
-        </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/example.cpp" line="20" column="13" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="20" bodyend="-1" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" declline="176" declcolumn="20"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" compoundref="coord__cache_8cpp" startline="25" endline="73">CoordCache::CoordCache</referencedby>
-        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="309" endline="354">ExampleRef::ExampleRef</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="534" column="22" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" declline="653" declcolumn="29"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleDataset_1afa04504316547cab15d591ef77d05311" compoundref="example__dataset_8cpp" startline="15" endline="22">ExampleDataset::ExampleDataset</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleProvider_1aa094561f95e431c276b49586faee2cc5" compoundref="example__provider_8cpp" startline="15" endline="22">ExampleProvider::ExampleProvider</referencedby>
       </memberdef>
       <memberdef kind="variable" id="namespacelibmolgrid_1a637541cee6c830dbabb26498f6c91249" prot="public" static="no" mutable="no">
         <type>std::default_random_engine</type>
         <definition>std::default_random_engine random_engine</definition>
         <argsstring></argsstring>
         <name>random_engine</name>
+        <qualifiedname>libmolgrid::random_engine</qualifiedname>
         <briefdescription>
 <para>random engine used in libmolgrid </para>
         </briefdescription>
@@ -207,59 +206,54 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/libmolgrid.cpp" line="11" column="32" bodyfile="/home/dkoes/git/libmolgrid/src/libmolgrid.cpp" bodystart="11" bodyend="-1" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/libmolgrid.h" declline="19" declcolumn="39"/>
-        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/libmolgrid.cpp" line="11" column="32" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/libmolgrid.cpp" bodystart="11" bodyend="-1" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" declline="19" declcolumn="39"/>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="248" endline="266">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8cpp" startline="17" endline="46">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::setup</referencedby>
+        <referencedby refid="classlibmolgrid_1_1SamplingExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="162" endline="171">SamplingExampleRefProvider&lt; Provider1, Provider2 &gt;::nextref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8h" startline="235" endline="246">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::setup</referencedby>
         <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8cpp" startline="70" endline="75">UniformExampleRefProvider::setup</referencedby>
         <referencedby refid="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed" compoundref="transform_8cpp" startline="13" endline="33">Transform::Transform</referencedby>
       </memberdef>
-      <memberdef kind="variable" id="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" prot="public" static="no" mutable="no">
-        <type>unsigned</type>
-        <definition>unsigned do_not_optimize_away</definition>
+      <memberdef kind="variable" id="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" prot="public" static="no" mutable="no">
+        <type><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref></type>
+        <definition>StringCache string_cache</definition>
         <argsstring></argsstring>
-        <name>do_not_optimize_away</name>
+        <name>string_cache</name>
+        <qualifiedname>libmolgrid::string_cache</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/coord_cache.cpp" line="22" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/coord_cache.cpp" bodystart="22" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a30e53e7aa53be3caabe1e7b88f4c06f8" compoundref="coord__cache_8cpp" startline="25" endline="73">CoordCache::CoordCache</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/string_cache.cpp" line="5" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/string_cache.cpp" bodystart="5" bodyend="-1" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h" declline="27" declcolumn="20"/>
+        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="315" endline="360">ExampleRef::ExampleRef</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a3baff695bab63b469b36ef27b14946b7" compoundref="coord__cache_8cpp" startline="188" endline="196">CoordCache::load_mem_cache</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="func">
-      <memberdef kind="function" id="namespacelibmolgrid_1a55802012418ef1c568cf634c5c0ce543" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type>cudaMemcpyKind</type>
-        <definition>cudaMemcpyKind libmolgrid::copyKind</definition>
-        <argsstring>(bool srcCUDA, bool destCUDA)</argsstring>
-        <name>copyKind</name>
-        <param>
-          <type>bool</type>
-          <declname>srcCUDA</declname>
-        </param>
-        <param>
-          <type>bool</type>
-          <declname>destCUDA</declname>
-        </param>
+      <memberdef kind="variable" id="namespacelibmolgrid_1a401744b5615cec1da80925318db02c90" prot="public" static="no" mutable="no">
+        <type>unsigned</type>
+        <definition>unsigned do_not_optimize_away</definition>
+        <argsstring></argsstring>
+        <name>do_not_optimize_away</name>
+        <qualifiedname>libmolgrid::do_not_optimize_away</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="22" column="23" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" bodystart="22" bodyend="34"/>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac5cd5f1c4591aa5a8d21e5babb971e99" compoundref="grid_8h" startline="201" endline="207">Grid&lt; Dtype, NumDims, true &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1ad3152bc9dfc67f11fa55467ac93460f8" compoundref="grid_8h" startline="317" endline="323">Grid&lt; Dtype, 1, isCUDA &gt;::copyFrom</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_1ac2f29eb66b0b3b19ab09ecd80e3fbb35" compoundref="grid_8h" startline="188" endline="194">Grid&lt; Dtype, NumDims, true &gt;::copyTo</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a3e983133f9cb7d0571557580480ece9b" compoundref="grid_8h" startline="308" endline="314">Grid&lt; Dtype, 1, isCUDA &gt;::copyTo</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" line="22" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coord_cache.cpp" bodystart="22" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a7039b3e644caa0ca38724e48df0f6a67" compoundref="coord__cache_8cpp" startline="25" endline="77">CoordCache::CoordCache</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1abaefa4db48d107196d082640795579b1" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+    </sectiondef>
+    <sectiondef kind="func">
+      <memberdef kind="function" id="namespacelibmolgrid_1aee0103f4ec705595541f3c108d541af7" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
-        <definition>libmolgrid::BOOST_PP_REPEAT_FROM_TO</definition>
+        <definition>BOOST_PP_REPEAT_FROM_TO</definition>
         <argsstring>(1, LIBMOLGRID_MAX_GRID_DIM, EXPAND_GRID_DEFINITIONS, 0)</argsstring>
         <name>BOOST_PP_REPEAT_FROM_TO</name>
+        <qualifiedname>libmolgrid::BOOST_PP_REPEAT_FROM_TO</qualifiedname>
         <param>
           <type>1</type>
         </param>
@@ -278,15 +272,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" line="333" column="1" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid.h" declline="333" declcolumn="1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" line="374" column="1" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid.h" declline="374" declcolumn="1"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a2dbb37176b2d9724d607ba464b5506e1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float3</type>
-        <definition>CUDA_CALLABLE_MEMBER float3 libmolgrid::cart2grid</definition>
+      <memberdef kind="function" id="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structfloat3" kindref="compound">float3</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER float3 cart2grid</definition>
         <argsstring>(float3 origin, float resolution, float x, float y, float z)</argsstring>
         <name>cart2grid</name>
+        <qualifiedname>libmolgrid::cart2grid</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>origin</declname>
         </param>
         <param>
@@ -311,16 +306,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="189" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="189" bodyend="192"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="150" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="150" bodyend="153"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a9c218888670e6716f1d3dc698da244fa" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> float3</type>
-        <definition>CUDA_CALLABLE_MEMBER float3 libmolgrid::grid2cart</definition>
+      <memberdef kind="function" id="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref> <ref refid="structfloat3" kindref="compound">float3</ref></type>
+        <definition>CUDA_CALLABLE_MEMBER float3 grid2cart</definition>
         <argsstring>(float3 origin, float resolution, unsigned i, unsigned j, unsigned k)</argsstring>
         <name>grid2cart</name>
+        <qualifiedname>libmolgrid::grid2cart</qualifiedname>
         <param>
-          <type>float3</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
           <declname>origin</declname>
         </param>
         <param>
@@ -345,7 +341,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" line="195" column="36" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="195" bodyend="198"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" line="156" column="36" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_interpolater.h" bodystart="156" bodyend="159"/>
         <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
@@ -358,6 +354,7 @@
         <definition>template CartesianGrid&lt; ManagedGrid&lt; double, 3 &gt; &gt; read_dx</definition>
         <argsstring>(std::istream &amp;in)</argsstring>
         <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
@@ -368,7 +365,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="70" column="15" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="70" bodyend="90" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="234" declcolumn="24"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="70" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="70" bodyend="90" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="18" declcolumn="15"/>
+        <referencedby refid="namespacelibmolgrid_1a3317b8b6adaedad592f3d47deaae373e" compoundref="grid__io_8cpp" startline="94" endline="98">read_dx</referencedby>
+        <referencedby refid="namespacelibmolgrid_1af18d9ef15de74734e469e0775ad38031" compoundref="grid__io_8cpp" startline="125" endline="129">read_dx</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" compoundref="grid__io_8cpp" startline="192" endline="201">read_dx_grids</referencedby>
       </memberdef>
       <memberdef kind="function" id="namespacelibmolgrid_1a3317b8b6adaedad592f3d47deaae373e" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -380,6 +380,7 @@
         <definition>template CartesianGrid&lt; ManagedGrid&lt; double, 3 &gt; &gt; read_dx</definition>
         <argsstring>(const std::string &amp;fname)</argsstring>
         <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -391,7 +392,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="94" column="15" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="94" bodyend="98" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="236" declcolumn="24"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="94" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="94" bodyend="98" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="20" declcolumn="15"/>
       </memberdef>
       <memberdef kind="function" id="namespacelibmolgrid_1a675a477dd7654f29009ae26ae706f39a" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -403,6 +404,7 @@
         <definition>void read_dx</definition>
         <argsstring>(std::istream &amp;in, Grid&lt; Dtype, 3 &gt; &amp;grid)</argsstring>
         <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
@@ -418,7 +420,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="101" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="101" bodyend="121" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" declline="24" declcolumn="6"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="101" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="101" bodyend="121" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="24" declcolumn="6"/>
       </memberdef>
       <memberdef kind="function" id="namespacelibmolgrid_1af18d9ef15de74734e469e0775ad38031" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -430,6 +432,7 @@
         <definition>void read_dx</definition>
         <argsstring>(const std::string &amp;fname, Grid&lt; Dtype, 3 &gt; &amp;grid)</argsstring>
         <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -445,18 +448,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="125" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="125" bodyend="129" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" declline="26" declcolumn="6"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="125" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="125" bodyend="129" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="26" declcolumn="6"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1aa1f03ee53c2b76327813c46eea4de9da" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a49aa9e6b6d6a6f644974047063ba930d" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>class G</type>
           </param>
         </templateparamlist>
         <type>void</type>
-        <definition>void libmolgrid::read_bin</definition>
+        <definition>void read_bin</definition>
         <argsstring>(std::istream &amp;in, G &amp;grid)</argsstring>
         <name>read_bin</name>
+        <qualifiedname>libmolgrid::read_bin</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
@@ -472,7 +476,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" line="30" column="6" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" bodystart="30" bodyend="32"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" line="30" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" bodystart="30" bodyend="32"/>
       </memberdef>
       <memberdef kind="function" id="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -484,6 +488,7 @@
         <definition>void write_dx</definition>
         <argsstring>(std::ostream &amp;out, const Grid&lt; DType, 3 &gt; &amp;grid, const float3 &amp;center, float resolution, float scale=1.0)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
           <declname>out</declname>
@@ -493,7 +498,7 @@
           <declname>grid</declname>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>center</declname>
         </param>
         <param>
@@ -512,7 +517,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="134" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="134" bodyend="166" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" declline="42" declcolumn="6"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="134" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="134" bodyend="166" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="42" declcolumn="6"/>
         <referencedby refid="namespacelibmolgrid_1a96cc920e318698dad01618f1ceb8419f" compoundref="grid__io_8cpp" startline="170" endline="174">write_dx</referencedby>
         <referencedby refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" compoundref="grid__io_8cpp" startline="177" endline="189">write_dx_grids</referencedby>
       </memberdef>
@@ -526,6 +531,7 @@
         <definition>void write_dx</definition>
         <argsstring>(const std::string &amp;fname, const Grid&lt; DType, 3 &gt; &amp;grid, const float3 &amp;center, float resolution, float scale)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -535,7 +541,7 @@
           <declname>grid</declname>
         </param>
         <param>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="170" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="170" bodyend="174" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="44" declcolumn="6"/>
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@@ -566,6 +572,7 @@
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         <name>write_dx_grids</name>
+        <qualifiedname>libmolgrid::write_dx_grids</qualifiedname>
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           <type>const std::string &amp;</type>
           <declname>prefix</declname>
@@ -579,7 +586,7 @@
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         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
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@@ -648,7 +655,7 @@
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="177" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="177" bodyend="189" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="57" declcolumn="6"/>
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@@ -660,6 +667,7 @@
         <definition>void read_dx_grids</definition>
         <argsstring>(const std::string &amp;prefix, const std::vector&lt; std::string &gt; &amp;names, Grid&lt; Dtype, 4 &gt; &amp;grid)</argsstring>
         <name>read_dx_grids</name>
+        <qualifiedname>libmolgrid::read_dx_grids</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>prefix</declname>
@@ -705,7 +713,7 @@
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="192" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="192" bodyend="201" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="67" declcolumn="6"/>
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         <templateparamlist>
@@ -717,6 +725,7 @@
         <definition>void write_map</definition>
         <argsstring>(std::ostream &amp;out, const Grid&lt; DType, 3 &gt; &amp;grid, const float3 &amp;center, float resolution, float scale=1.0)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
           <declname>out</declname>
@@ -726,7 +735,7 @@
           <declname>grid</declname>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>center</declname>
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         <param>
@@ -746,7 +755,7 @@
         </detaileddescription>
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         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="205" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="205" bodyend="221" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" declline="72" declcolumn="6"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="205" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="205" bodyend="221" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="72" declcolumn="6"/>
         <referencedby refid="namespacelibmolgrid_1a5f98c4b4e9bc1306dc43643d0f701b23" compoundref="grid__io_8cpp" startline="225" endline="229">write_map</referencedby>
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       <memberdef kind="function" id="namespacelibmolgrid_1a5f98c4b4e9bc1306dc43643d0f701b23" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
@@ -759,6 +768,7 @@
         <definition>void write_map</definition>
         <argsstring>(const std::string &amp;fname, const Grid&lt; DType, 3 &gt; &amp;grid, const float3 &amp;center, float resolution, float scale)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>fname</declname>
@@ -768,7 +778,7 @@
           <declname>grid</declname>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>center</declname>
         </param>
         <param>
@@ -787,18 +797,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="225" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="225" bodyend="229" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" declline="74" declcolumn="6"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="225" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="225" bodyend="229" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" declline="74" declcolumn="6"/>
       </memberdef>
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+      <memberdef kind="function" id="namespacelibmolgrid_1a122aa7de6efcda1ced336a87a71804dc" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
             <type>class G</type>
           </param>
         </templateparamlist>
         <type>void</type>
-        <definition>void libmolgrid::write_bin</definition>
+        <definition>void write_bin</definition>
         <argsstring>(std::ostream &amp;out, const G &amp;grid)</argsstring>
         <name>write_bin</name>
+        <qualifiedname>libmolgrid::write_bin</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
           <declname>out</declname>
@@ -813,13 +824,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" line="78" column="6" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/grid_io.h" bodystart="78" bodyend="80"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" line="78" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/grid_io.h" bodystart="78" bodyend="80"/>
       </memberdef>
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+      <memberdef kind="function" id="namespacelibmolgrid_1a2720add91c3e239b4e60ab9d139fd496" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>std::ostream &amp;</type>
-        <definition>std::ostream&amp; libmolgrid::log</definition>
+        <definition>std::ostream &amp; log</definition>
         <argsstring>(LogLevel level=INFO)</argsstring>
         <name>log</name>
+        <qualifiedname>libmolgrid::log</qualifiedname>
         <param>
           <type><ref refid="namespacelibmolgrid_1aca1fd1d8935433e6ba2e3918214e07f9" kindref="member">LogLevel</ref></type>
           <declname>level</declname>
@@ -831,16 +843,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="24" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="24" bodyend="29"/>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8h" startline="478" endline="487">GroupedExampleRefProvider&lt; Provider &gt;::addref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8cpp" startline="17" endline="46">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::setup</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8h" startline="376" endline="393">ValueStratifiedExampleRefProfider&lt; Provider &gt;::setup</referencedby>
       </memberdef>
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+      <memberdef kind="function" id="namespacelibmolgrid_1a19d10e8a648c88fdbf16f40de0e47cfc" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>std::string</type>
-        <definition>std::string libmolgrid::ftoa</definition>
+        <definition>std::string ftoa</definition>
         <argsstring>(float v)</argsstring>
         <name>ftoa</name>
+        <qualifiedname>libmolgrid::ftoa</qualifiedname>
         <param>
           <type>float</type>
           <declname>v</declname>
@@ -851,13 +864,14 @@
         </detaileddescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="31" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="31" bodyend="31"/>
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+      <memberdef kind="function" id="namespacelibmolgrid_1ab2434f4848577b1a5966ea316dba3a18" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>std::string</type>
-        <definition>std::string libmolgrid::itoa</definition>
+        <definition>std::string itoa</definition>
         <argsstring>(int v)</argsstring>
         <name>itoa</name>
+        <qualifiedname>libmolgrid::itoa</qualifiedname>
         <param>
           <type>int</type>
           <declname>v</declname>
@@ -868,38 +882,43 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" line="32" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/libmolgrid.h" bodystart="32" bodyend="32"/>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8cpp" startline="107" endline="117">BalancedExampleRefProvider::addref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
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-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="437" endline="467">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="90">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
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+        <referencedby refid="classlibmolgrid_1_1Grid_3_01Dtype_00_011_00_01isCUDA_01_4_1a18ec2ecbbcf47264c34b0fd73242b119" compoundref="grid_8h" startline="256" endline="264">Grid&lt; Dtype, 1, isCUDA &gt;::check_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Grid_1a18ec2ecbbcf47264c34b0fd73242b119" compoundref="grid_8h" startline="67" endline="75">Grid&lt; Dtype, NumDims-1, isCUDA &gt;::check_index</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abe03e795cf5097fd746c9d649de88053" compoundref="grid__maker_8cpp" startline="77" endline="91">GridMaker::check_index_args</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a76f7b7e78b9bbc969d49cf78c2b976e4" compoundref="grid__maker_8cpp" startline="105" endline="126">GridMaker::check_vector_args</referencedby>
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-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
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-        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="277" endline="295">Example::extract_label</referencedby>
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+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="314" endline="320">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="328" endline="346">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="279" endline="301">Example::extract_label</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" compoundref="example_8cpp" startline="253" endline="272">Example::extract_labels</referencedby>
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+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a643d05a25c1e56833fe17dffaf178b59" compoundref="grid__maker_8h" startline="266" endline="305">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1ab179299d9dc6bb3a4bfe868fd60882a6" compoundref="example__extractor_8cpp" startline="81" endline="90">ExampleExtractor::get_type_names</referencedby>
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+        <referencedby refid="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180" compoundref="example_8cpp" startline="40" endline="67">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" compoundref="example_8cpp" startline="103" endline="136">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
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+        <referencedby refid="namespacelibmolgrid_1a675a477dd7654f29009ae26ae706f39a" compoundref="grid__io_8cpp" startline="101" endline="121">read_dx</referencedby>
         <referencedby refid="namespacelibmolgrid_1a480d5a45562f3cda34dbac07d1415d04" compoundref="grid__io_8cpp" startline="192" endline="201">read_dx_grids</referencedby>
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-        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="357" endline="376">Example::sum_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" compoundref="grid__io_8cpp" startline="21" endline="67">read_dx_helper</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="363" endline="382">Example::sum_types</referencedby>
         <referencedby refid="namespacelibmolgrid_1a99f7f8f546917a9c1d891fb1eb3b731b" compoundref="grid__io_8cpp" startline="177" endline="189">write_dx_grids</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a855892866706919732e65faef857b36c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a7c59c34e84b65360fe59e2d68debdfee" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
-        <definition>libmolgrid::BOOST_PP_REPEAT_FROM_TO</definition>
+        <definition>BOOST_PP_REPEAT_FROM_TO</definition>
         <argsstring>(1, LIBMOLGRID_MAX_GRID_DIM, EXPAND_MGRID_DEFINITIONS, 0)</argsstring>
         <name>BOOST_PP_REPEAT_FROM_TO</name>
+        <qualifiedname>libmolgrid::BOOST_PP_REPEAT_FROM_TO</qualifiedname>
         <param>
           <type>1</type>
         </param>
@@ -918,11 +937,11 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="452" column="1" declfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" declline="452" declcolumn="1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" line="589" column="3" declfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/managed_grid.h" declline="589" declcolumn="3"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1abc1c852c354f940bb6726454a18083e2" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1aff4655df2b84d9e5b88b5adf4b6ffcdf" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>stringstream</type>
-        <definition>static stringstream libmolgrid::recmap</definition>
+        <definition>static stringstream recmap</definition>
         <argsstring>(R&quot;(AliphaticCarbonXSHydrophobe 
 AliphaticCarbonXSNonHydrophobe 
 AromaticCarbonXSHydrophobe 
@@ -939,6 +958,7 @@ Zinc
 GenericMetal Boron Manganese Magnesium Iron
 )&quot;)</argsstring>
         <name>recmap</name>
+        <qualifiedname>libmolgrid::recmap</qualifiedname>
         <param>
           <type>R&quot;(AliphaticCarbonXSHydrophobe AliphaticCarbonXSNonHydrophobe AromaticCarbonXSHydrophobe AromaticCarbonXSNonHydrophobeBromine Iodine Chlorine FluorineNitrogen NitrogenXSAcceptor NitrogenXSDonor NitrogenXSDonorAcceptorOxygen OxygenXSAcceptor OxygenXSDonorAcceptor OxygenXSDonorSulfur SulfurAcceptorPhosphorus CalciumZincGenericMetal Boron Manganese Magnesium Iron)&quot;</type>
         </param>
@@ -948,11 +968,12 @@ GenericMetal Boron Manganese Magnesium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="531" column="21" declfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" declline="531" declcolumn="21"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="531" column="21" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" declline="531" declcolumn="21"/>
+        <referencedby refid="namespacelibmolgrid_1a1a136d9c99791a14bd2779e6dce9bb6a">defaultGninaLigandTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1ab32fe62f692f6c16ba65f9586408e444" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a8ba25dc257868ac32850cf9152867f3b" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>stringstream</type>
-        <definition>static stringstream libmolgrid::ligmap</definition>
+        <definition>static stringstream ligmap</definition>
         <argsstring>(R&quot;(AliphaticCarbonXSHydrophobe 
 AliphaticCarbonXSNonHydrophobe 
 AromaticCarbonXSHydrophobe 
@@ -969,6 +990,7 @@ Phosphorus
 GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
 )&quot;)</argsstring>
         <name>ligmap</name>
+        <qualifiedname>libmolgrid::ligmap</qualifiedname>
         <param>
           <type>R&quot;(AliphaticCarbonXSHydrophobe AliphaticCarbonXSNonHydrophobe AromaticCarbonXSHydrophobe AromaticCarbonXSNonHydrophobeBromine IodineChlorineFluorineNitrogen NitrogenXSAcceptor NitrogenXSDonor NitrogenXSDonorAcceptorOxygen OxygenXSAcceptor OxygenXSDonorAcceptor OxygenXSDonorSulfur SulfurAcceptorPhosphorusGenericMetal Boron Manganese Magnesium Zinc Calcium Iron)&quot;</type>
         </param>
@@ -978,15 +1000,17 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="532" column="21" declfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" declline="532" declcolumn="21"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="532" column="21" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" declline="532" declcolumn="21"/>
+        <referencedby refid="namespacelibmolgrid_1a1a136d9c99791a14bd2779e6dce9bb6a">defaultGninaLigandTyper</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1afc66c747c8f9d86bf02a5c3fdc3bb02d" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a3806f5ca85851e06d45c8ab0c3ee4e68" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref></type>
-        <definition>FileMappedGninaTyper libmolgrid::defaultGninaReceptorTyper</definition>
+        <definition>FileMappedGninaTyper defaultGninaReceptorTyper</definition>
         <argsstring>(recmap)</argsstring>
         <name>defaultGninaReceptorTyper</name>
+        <qualifiedname>libmolgrid::defaultGninaReceptorTyper</qualifiedname>
         <param>
-          <type><ref refid="namespacelibmolgrid_1abc1c852c354f940bb6726454a18083e2" kindref="member">recmap</ref></type>
+          <type><ref refid="namespacelibmolgrid_1aff4655df2b84d9e5b88b5adf4b6ffcdf" kindref="member">recmap</ref></type>
         </param>
         <briefdescription>
         </briefdescription>
@@ -994,15 +1018,16 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="533" column="22" declfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" declline="533" declcolumn="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="533" column="22" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" declline="533" declcolumn="22"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a7a1ba159846b1049c0b7f509d51e543f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a1a136d9c99791a14bd2779e6dce9bb6a" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="classlibmolgrid_1_1FileMappedGninaTyper" kindref="compound">FileMappedGninaTyper</ref></type>
-        <definition>FileMappedGninaTyper libmolgrid::defaultGninaLigandTyper</definition>
+        <definition>FileMappedGninaTyper defaultGninaLigandTyper</definition>
         <argsstring>(ligmap)</argsstring>
         <name>defaultGninaLigandTyper</name>
+        <qualifiedname>libmolgrid::defaultGninaLigandTyper</qualifiedname>
         <param>
-          <type><ref refid="namespacelibmolgrid_1ab32fe62f692f6c16ba65f9586408e444" kindref="member">ligmap</ref></type>
+          <type><ref refid="namespacelibmolgrid_1a8ba25dc257868ac32850cf9152867f3b" kindref="member">ligmap</ref></type>
         </param>
         <briefdescription>
         </briefdescription>
@@ -1010,13 +1035,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" line="534" column="22" declfile="/home/dkoes/git/libmolgrid/src/atom_typer.cpp" declline="534" declcolumn="22"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" line="534" column="22" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/atom_typer.cpp" declline="534" declcolumn="22"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1aafd219ed0c26b6bf36bbd792bbc4360e" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a1ede5637ddd13366bade238fd65b79b7" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>size_t</type>
-        <definition>size_t libmolgrid::typ_vec_size</definition>
+        <definition>size_t typ_vec_size</definition>
         <argsstring>(const std::vector&lt; std::vector&lt; float &gt; &gt; &amp;t)</argsstring>
         <name>typ_vec_size</name>
+        <qualifiedname>libmolgrid::typ_vec_size</qualifiedname>
         <param>
           <type>const std::vector&lt; std::vector&lt; float &gt; &gt; &amp;</type>
           <declname>t</declname>
@@ -1027,13 +1053,15 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" line="130" column="15" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="130" bodyend="133"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" line="130" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="130" bodyend="133"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a1fca3edcd06bb699eed3954b29644ef9" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1ada5b6facc7bce234e15cc120b18d6a21" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>bool</type>
-        <definition>bool libmolgrid::is_numeric</definition>
+        <definition>bool is_numeric</definition>
         <argsstring>(const string &amp;number)</argsstring>
         <name>is_numeric</name>
+        <qualifiedname>libmolgrid::is_numeric</qualifiedname>
         <param>
           <type>const string &amp;</type>
           <declname>number</declname>
@@ -1044,20 +1072,21 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/example.cpp" line="301" column="6" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="301" bodyend="307"/>
-        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="309" endline="354">ExampleRef::ExampleRef</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" line="307" column="6" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="307" bodyend="313"/>
+        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="315" endline="360">ExampleRef::ExampleRef</referencedby>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a10bb36f3a95760807a6c7006732bc624" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>unsigned</type>
-        <definition>unsigned libmolgrid::read_dx_helper</definition>
+        <definition>unsigned read_dx_helper</definition>
         <argsstring>(std::istream &amp;in, float3 &amp;center, float &amp;res)</argsstring>
         <name>read_dx_helper</name>
+        <qualifiedname>libmolgrid::read_dx_helper</qualifiedname>
         <param>
           <type>std::istream &amp;</type>
           <declname>in</declname>
         </param>
         <param>
-          <type>float3 &amp;</type>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
           <declname>center</declname>
         </param>
         <param>
@@ -1070,14 +1099,52 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="21" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" bodystart="21" bodyend="67"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="21" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" bodystart="21" bodyend="67"/>
         <referencedby refid="namespacelibmolgrid_1ade64fcaf6347fae87a6a41fb17a3fb31" compoundref="grid__io_8cpp" startline="70" endline="90">read_dx</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a675a477dd7654f29009ae26ae706f39a" compoundref="grid__io_8cpp" startline="101" endline="121">read_dx</referencedby>
+      </memberdef>
+      <memberdef kind="function" id="namespacelibmolgrid_1a68174e079f403c5f2fcb5d42d9f1f24e" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>template <ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid</ref>&lt; <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; float, 3 &gt; &gt;</type>
+        <definition>template CartesianGrid&lt; ManagedGrid&lt; float, 3 &gt; &gt; read_dx</definition>
+        <argsstring>(std::istream &amp;in)</argsstring>
+        <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
+        <param>
+          <type>std::istream &amp;</type>
+          <declname>in</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="233" column="24" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="233" declcolumn="24"/>
+      </memberdef>
+      <memberdef kind="function" id="namespacelibmolgrid_1aab230bdbf2374c278d8bf873d6d93b36" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>template <ref refid="classlibmolgrid_1_1CartesianGrid" kindref="compound">CartesianGrid</ref>&lt; <ref refid="classlibmolgrid_1_1ManagedGrid" kindref="compound">ManagedGrid</ref>&lt; float, 3 &gt; &gt;</type>
+        <definition>template CartesianGrid&lt; ManagedGrid&lt; float, 3 &gt; &gt; read_dx</definition>
+        <argsstring>(const std::string &amp;fname)</argsstring>
+        <name>read_dx</name>
+        <qualifiedname>libmolgrid::read_dx</qualifiedname>
+        <param>
+          <type>const std::string &amp;</type>
+          <declname>fname</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="235" column="24" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="235" declcolumn="24"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a0570278514d0b2fc1ccb54f3569edd48" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1aa173a12245873ec1c5b7fd772321602f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx</definition>
+        <definition>template void write_dx</definition>
         <argsstring>(std::ostream &amp;, const Grid&lt; float, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
         </param>
@@ -1085,7 +1152,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1099,13 +1166,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="238" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="238" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="238" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="238" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1abbd0244cbbea044203ade2034974b011" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a4c27d0773f858b7eb6dd4155c170e1de" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx</definition>
+        <definition>template void write_dx</definition>
         <argsstring>(const std::string &amp;, const Grid&lt; float, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1113,7 +1181,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1127,13 +1195,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="239" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="239" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="239" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="239" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1aceb848c3f5615d70a7cb17c7bfd6dd77" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a10ffd01ad319cd266612063f54f9ff0e" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx</definition>
+        <definition>template void write_dx</definition>
         <argsstring>(std::ostream &amp;, const Grid&lt; double, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
         </param>
@@ -1141,7 +1210,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; double, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1155,13 +1224,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="240" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="240" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="240" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="240" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1ac9623512babe477516e2797bcd791c8a" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1abe980e3c39b9ecb278e927f511573c7b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx</definition>
+        <definition>template void write_dx</definition>
         <argsstring>(const std::string &amp;, const Grid&lt; double, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx</name>
+        <qualifiedname>libmolgrid::write_dx</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1169,7 +1239,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; double, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1183,13 +1253,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="241" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="241" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="241" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="241" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a5fd139cbcfd28827dd6366c7a7f3b642" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1aca010258edc4f5724705fdaf8b75470b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx_grids</definition>
+        <definition>template void write_dx_grids</definition>
         <argsstring>(const std::string &amp;, const std::vector&lt; std::string &gt; &amp;, const Grid&lt; float, 4 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx_grids</name>
+        <qualifiedname>libmolgrid::write_dx_grids</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1200,7 +1271,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 4 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1214,13 +1285,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="243" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="243" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="243" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="243" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1af343400ee12fb297dba99a7129e11c42" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a1251d77f5747438cb0efcac2206fbd00" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_dx_grids</definition>
+        <definition>template void write_dx_grids</definition>
         <argsstring>(const std::string &amp;, const std::vector&lt; std::string &gt; &amp;, const Grid&lt; double, 4 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_dx_grids</name>
+        <qualifiedname>libmolgrid::write_dx_grids</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1231,7 +1303,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; double, 4 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1245,13 +1317,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="244" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="244" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="244" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="244" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a9f042ca3643e3d8a18a31052e7be9a5b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a15e2acb8554afd62b3896b4f7a26d8f5" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::read_dx_grids</definition>
+        <definition>template void read_dx_grids</definition>
         <argsstring>(const std::string &amp;, const std::vector&lt; std::string &gt; &amp;, Grid&lt; float, 4 &gt; &amp;)</argsstring>
         <name>read_dx_grids</name>
+        <qualifiedname>libmolgrid::read_dx_grids</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1267,13 +1340,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="246" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="246" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="246" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="246" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1aa8a5b39177f30a2ff53ece868bc1a2e6" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a173dc636254c2444a42601f348d2065c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::read_dx_grids</definition>
+        <definition>template void read_dx_grids</definition>
         <argsstring>(const std::string &amp;, const std::vector&lt; std::string &gt; &amp;, Grid&lt; double, 4 &gt; &amp;)</argsstring>
         <name>read_dx_grids</name>
+        <qualifiedname>libmolgrid::read_dx_grids</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1289,13 +1363,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="247" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="247" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="247" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="247" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a9a0999d5007feb4dfd8af58babc4e66b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1acae94cad89cafd80a57791f782c21b53" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_map</definition>
+        <definition>template void write_map</definition>
         <argsstring>(std::ostream &amp;, const Grid&lt; float, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
         </param>
@@ -1303,7 +1378,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1317,13 +1392,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="249" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="249" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="249" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="249" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1afc651b900496b9e339d6c12a20ff914c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1aff97d71d9c79c7f136a2c1331d7dd326" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_map</definition>
+        <definition>template void write_map</definition>
         <argsstring>(const std::string &amp;, const Grid&lt; float, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1331,7 +1407,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1345,13 +1421,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="250" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="250" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="250" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="250" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a2f29c0cc60633364587eab74fae75b38" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1a60ebd53fb6cc6141a25293a10d7ca4d9" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_map</definition>
+        <definition>template void write_map</definition>
         <argsstring>(std::ostream &amp;, const Grid&lt; double, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
         </param>
@@ -1359,7 +1436,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; double, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1373,13 +1450,14 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="251" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="251" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="251" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="251" declcolumn="15"/>
       </memberdef>
-      <memberdef kind="function" id="namespacelibmolgrid_1a7ef0b82d16e8509a0aa72df3d3facc1c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+      <memberdef kind="function" id="namespacelibmolgrid_1ac5e359ddb466dcefe5d836a6b5f11793" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>template void</type>
-        <definition>template void libmolgrid::write_map</definition>
+        <definition>template void write_map</definition>
         <argsstring>(const std::string &amp;, const Grid&lt; double, 3 &gt; &amp;, const float3 &amp;, float, float)</argsstring>
         <name>write_map</name>
+        <qualifiedname>libmolgrid::write_map</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
         </param>
@@ -1387,7 +1465,7 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
           <type>const <ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; double, 3 &gt; &amp;</type>
         </param>
         <param>
-          <type>const float3 &amp;</type>
+          <type>const <ref refid="structfloat3" kindref="compound">float3</ref> &amp;</type>
         </param>
         <param>
           <type>float</type>
@@ -1401,14 +1479,45 @@ GenericMetal Boron Manganese Magnesium Zinc Calcium Iron
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/src/grid_io.cpp" line="252" column="15" declfile="/home/dkoes/git/libmolgrid/src/grid_io.cpp" declline="252" declcolumn="15"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" line="252" column="15" declfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_io.cpp" declline="252" declcolumn="15"/>
+      </memberdef>
+      <memberdef kind="function" id="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" prot="public" static="yes" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <type>float</type>
+        <definition>static float sqDistance</definition>
+        <argsstring>(float3 pt, float x, float y, float z)</argsstring>
+        <name>sqDistance</name>
+        <qualifiedname>libmolgrid::sqDistance</qualifiedname>
+        <param>
+          <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
+          <declname>pt</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>x</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>y</declname>
+        </param>
+        <param>
+          <type>float</type>
+          <declname>z</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" line="17" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/grid_maker.cpp" bodystart="17" bodyend="23"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a00c3f616adff78ce81e0a778d3b2ccba" compoundref="grid__maker_8cpp" startline="27" endline="40">GridMaker::calc_point</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
 <para><ref refid="quaternion_8h" kindref="compound">quaternion.h</ref> </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="20" column="20"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="20" column="1"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/namespacestd.xml b/docs/cpp/xml/namespacestd.xml
index 9eb824a2..fbfb0862 100644
--- a/docs/cpp/xml/namespacestd.xml
+++ b/docs/cpp/xml/namespacestd.xml
@@ -1,105 +1,106 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="namespacestd" kind="namespace" language="Unknown">
     <compoundname>std</compoundname>
     <innerclass refid="classstd_1_1allocator" prot="public">std::allocator</innerclass>
-    <innerclass refid="classstd_1_1array" prot="public">std::array</innerclass>
+    <innerclass refid="classstd_1_1auto__ptr" prot="public">std::auto_ptr</innerclass>
+    <innerclass refid="classstd_1_1smart__ptr" prot="public">std::smart_ptr</innerclass>
+    <innerclass refid="classstd_1_1unique__ptr" prot="public">std::unique_ptr</innerclass>
+    <innerclass refid="classstd_1_1shared__ptr" prot="public">std::shared_ptr</innerclass>
+    <innerclass refid="classstd_1_1weak__ptr" prot="public">std::weak_ptr</innerclass>
     <innerclass refid="classstd_1_1atomic" prot="public">std::atomic</innerclass>
     <innerclass refid="classstd_1_1atomic__ref" prot="public">std::atomic_ref</innerclass>
-    <innerclass refid="classstd_1_1auto__ptr" prot="public">std::auto_ptr</innerclass>
-    <innerclass refid="classstd_1_1bad__alloc" prot="public">std::bad_alloc</innerclass>
-    <innerclass refid="classstd_1_1bad__cast" prot="public">std::bad_cast</innerclass>
-    <innerclass refid="classstd_1_1bad__exception" prot="public">std::bad_exception</innerclass>
-    <innerclass refid="classstd_1_1bad__typeid" prot="public">std::bad_typeid</innerclass>
-    <innerclass refid="classstd_1_1basic__fstream" prot="public">std::basic_fstream</innerclass>
-    <innerclass refid="classstd_1_1basic__ifstream" prot="public">std::basic_ifstream</innerclass>
+    <innerclass refid="classstd_1_1lock__guard" prot="public">std::lock_guard</innerclass>
+    <innerclass refid="classstd_1_1unique__lock" prot="public">std::unique_lock</innerclass>
+    <innerclass refid="classstd_1_1shared__lock" prot="public">std::shared_lock</innerclass>
+    <innerclass refid="classstd_1_1ios__base" prot="public">std::ios_base</innerclass>
+    <innerclass refid="classstd_1_1error__code" prot="public">std::error_code</innerclass>
+    <innerclass refid="classstd_1_1error__category" prot="public">std::error_category</innerclass>
+    <innerclass refid="classstd_1_1system__error" prot="public">std::system_error</innerclass>
+    <innerclass refid="classstd_1_1error__condition" prot="public">std::error_condition</innerclass>
+    <innerclass refid="classstd_1_1thread" prot="public">std::thread</innerclass>
+    <innerclass refid="classstd_1_1jthread" prot="public">std::jthread</innerclass>
+    <innerclass refid="classstd_1_1mutex" prot="public">std::mutex</innerclass>
+    <innerclass refid="classstd_1_1timed__mutex" prot="public">std::timed_mutex</innerclass>
+    <innerclass refid="classstd_1_1recursive__mutex" prot="public">std::recursive_mutex</innerclass>
+    <innerclass refid="classstd_1_1recursive__timed__mutex" prot="public">std::recursive_timed_mutex</innerclass>
+    <innerclass refid="classstd_1_1shared__mutex" prot="public">std::shared_mutex</innerclass>
+    <innerclass refid="classstd_1_1shared__timed__mutex" prot="public">std::shared_timed_mutex</innerclass>
     <innerclass refid="classstd_1_1basic__ios" prot="public">std::basic_ios</innerclass>
-    <innerclass refid="classstd_1_1basic__iostream" prot="public">std::basic_iostream</innerclass>
     <innerclass refid="classstd_1_1basic__istream" prot="public">std::basic_istream</innerclass>
-    <innerclass refid="classstd_1_1basic__istringstream" prot="public">std::basic_istringstream</innerclass>
-    <innerclass refid="classstd_1_1basic__ofstream" prot="public">std::basic_ofstream</innerclass>
     <innerclass refid="classstd_1_1basic__ostream" prot="public">std::basic_ostream</innerclass>
+    <innerclass refid="classstd_1_1basic__iostream" prot="public">std::basic_iostream</innerclass>
+    <innerclass refid="classstd_1_1basic__ifstream" prot="public">std::basic_ifstream</innerclass>
+    <innerclass refid="classstd_1_1basic__ofstream" prot="public">std::basic_ofstream</innerclass>
+    <innerclass refid="classstd_1_1basic__fstream" prot="public">std::basic_fstream</innerclass>
+    <innerclass refid="classstd_1_1basic__istringstream" prot="public">std::basic_istringstream</innerclass>
     <innerclass refid="classstd_1_1basic__ostringstream" prot="public">std::basic_ostringstream</innerclass>
-    <innerclass refid="classstd_1_1basic__string" prot="public">std::basic_string</innerclass>
-    <innerclass refid="classstd_1_1basic__string__view" prot="public">std::basic_string_view</innerclass>
     <innerclass refid="classstd_1_1basic__stringstream" prot="public">std::basic_stringstream</innerclass>
-    <innerclass refid="classstd_1_1bitset" prot="public">std::bitset</innerclass>
-    <innerclass refid="classstd_1_1complex" prot="public">std::complex</innerclass>
-    <innerclass refid="classstd_1_1deque" prot="public">std::deque</innerclass>
-    <innerclass refid="classstd_1_1domain__error" prot="public">std::domain_error</innerclass>
-    <innerclass refid="classstd_1_1error__category" prot="public">std::error_category</innerclass>
-    <innerclass refid="classstd_1_1error__code" prot="public">std::error_code</innerclass>
-    <innerclass refid="classstd_1_1error__condition" prot="public">std::error_condition</innerclass>
-    <innerclass refid="classstd_1_1exception" prot="public">std::exception</innerclass>
-    <innerclass refid="classstd_1_1forward__list" prot="public">std::forward_list</innerclass>
-    <innerclass refid="classstd_1_1fstream" prot="public">std::fstream</innerclass>
-    <innerclass refid="classstd_1_1ifstream" prot="public">std::ifstream</innerclass>
-    <innerclass refid="classstd_1_1invalid__argument" prot="public">std::invalid_argument</innerclass>
     <innerclass refid="classstd_1_1ios" prot="public">std::ios</innerclass>
-    <innerclass refid="classstd_1_1ios__base" prot="public">std::ios_base</innerclass>
+    <innerclass refid="classstd_1_1wios" prot="public">std::wios</innerclass>
     <innerclass refid="classstd_1_1istream" prot="public">std::istream</innerclass>
-    <innerclass refid="classstd_1_1istringstream" prot="public">std::istringstream</innerclass>
-    <innerclass refid="classstd_1_1jthread" prot="public">std::jthread</innerclass>
-    <innerclass refid="classstd_1_1length__error" prot="public">std::length_error</innerclass>
-    <innerclass refid="classstd_1_1list" prot="public">std::list</innerclass>
-    <innerclass refid="classstd_1_1lock__guard" prot="public">std::lock_guard</innerclass>
-    <innerclass refid="classstd_1_1logic__error" prot="public">std::logic_error</innerclass>
-    <innerclass refid="classstd_1_1map" prot="public">std::map</innerclass>
-    <innerclass refid="classstd_1_1multimap" prot="public">std::multimap</innerclass>
-    <innerclass refid="classstd_1_1multiset" prot="public">std::multiset</innerclass>
-    <innerclass refid="classstd_1_1mutex" prot="public">std::mutex</innerclass>
-    <innerclass refid="classstd_1_1ofstream" prot="public">std::ofstream</innerclass>
+    <innerclass refid="classstd_1_1wistream" prot="public">std::wistream</innerclass>
     <innerclass refid="classstd_1_1ostream" prot="public">std::ostream</innerclass>
+    <innerclass refid="classstd_1_1wostream" prot="public">std::wostream</innerclass>
+    <innerclass refid="classstd_1_1ifstream" prot="public">std::ifstream</innerclass>
+    <innerclass refid="classstd_1_1wifstream" prot="public">std::wifstream</innerclass>
+    <innerclass refid="classstd_1_1ofstream" prot="public">std::ofstream</innerclass>
+    <innerclass refid="classstd_1_1wofstream" prot="public">std::wofstream</innerclass>
+    <innerclass refid="classstd_1_1fstream" prot="public">std::fstream</innerclass>
+    <innerclass refid="classstd_1_1wfstream" prot="public">std::wfstream</innerclass>
+    <innerclass refid="classstd_1_1istringstream" prot="public">std::istringstream</innerclass>
+    <innerclass refid="classstd_1_1wistringstream" prot="public">std::wistringstream</innerclass>
     <innerclass refid="classstd_1_1ostringstream" prot="public">std::ostringstream</innerclass>
-    <innerclass refid="classstd_1_1out__of__range" prot="public">std::out_of_range</innerclass>
-    <innerclass refid="classstd_1_1overflow__error" prot="public">std::overflow_error</innerclass>
-    <innerclass refid="classstd_1_1priority__queue" prot="public">std::priority_queue</innerclass>
-    <innerclass refid="classstd_1_1queue" prot="public">std::queue</innerclass>
-    <innerclass refid="classstd_1_1range__error" prot="public">std::range_error</innerclass>
-    <innerclass refid="classstd_1_1recursive__mutex" prot="public">std::recursive_mutex</innerclass>
-    <innerclass refid="classstd_1_1recursive__timed__mutex" prot="public">std::recursive_timed_mutex</innerclass>
-    <innerclass refid="classstd_1_1runtime__error" prot="public">std::runtime_error</innerclass>
-    <innerclass refid="classstd_1_1set" prot="public">std::set</innerclass>
-    <innerclass refid="classstd_1_1shared__lock" prot="public">std::shared_lock</innerclass>
-    <innerclass refid="classstd_1_1shared__mutex" prot="public">std::shared_mutex</innerclass>
-    <innerclass refid="classstd_1_1shared__ptr" prot="public">std::shared_ptr</innerclass>
-    <innerclass refid="classstd_1_1shared__timed__mutex" prot="public">std::shared_timed_mutex</innerclass>
-    <innerclass refid="classstd_1_1smart__ptr" prot="public">std::smart_ptr</innerclass>
-    <innerclass refid="classstd_1_1span" prot="public">std::span</innerclass>
-    <innerclass refid="classstd_1_1stack" prot="public">std::stack</innerclass>
-    <innerclass refid="classstd_1_1string" prot="public">std::string</innerclass>
-    <innerclass refid="classstd_1_1string__view" prot="public">std::string_view</innerclass>
+    <innerclass refid="classstd_1_1wostringstream" prot="public">std::wostringstream</innerclass>
     <innerclass refid="classstd_1_1stringstream" prot="public">std::stringstream</innerclass>
-    <innerclass refid="classstd_1_1system__error" prot="public">std::system_error</innerclass>
-    <innerclass refid="classstd_1_1thread" prot="public">std::thread</innerclass>
-    <innerclass refid="classstd_1_1timed__mutex" prot="public">std::timed_mutex</innerclass>
+    <innerclass refid="classstd_1_1wstringstream" prot="public">std::wstringstream</innerclass>
+    <innerclass refid="classstd_1_1basic__string" prot="public">std::basic_string</innerclass>
+    <innerclass refid="classstd_1_1string" prot="public">std::string</innerclass>
+    <innerclass refid="classstd_1_1wstring" prot="public">std::wstring</innerclass>
+    <innerclass refid="classstd_1_1u8string" prot="public">std::u8string</innerclass>
     <innerclass refid="classstd_1_1u16string" prot="public">std::u16string</innerclass>
-    <innerclass refid="classstd_1_1u16string__view" prot="public">std::u16string_view</innerclass>
     <innerclass refid="classstd_1_1u32string" prot="public">std::u32string</innerclass>
-    <innerclass refid="classstd_1_1u32string__view" prot="public">std::u32string_view</innerclass>
-    <innerclass refid="classstd_1_1u8string" prot="public">std::u8string</innerclass>
+    <innerclass refid="classstd_1_1basic__string__view" prot="public">std::basic_string_view</innerclass>
+    <innerclass refid="classstd_1_1string__view" prot="public">std::string_view</innerclass>
+    <innerclass refid="classstd_1_1wstring__view" prot="public">std::wstring_view</innerclass>
     <innerclass refid="classstd_1_1u8string__view" prot="public">std::u8string_view</innerclass>
-    <innerclass refid="classstd_1_1underflow__error" prot="public">std::underflow_error</innerclass>
-    <innerclass refid="classstd_1_1unique__lock" prot="public">std::unique_lock</innerclass>
-    <innerclass refid="classstd_1_1unique__ptr" prot="public">std::unique_ptr</innerclass>
+    <innerclass refid="classstd_1_1u16string__view" prot="public">std::u16string_view</innerclass>
+    <innerclass refid="classstd_1_1u32string__view" prot="public">std::u32string_view</innerclass>
+    <innerclass refid="classstd_1_1complex" prot="public">std::complex</innerclass>
+    <innerclass refid="classstd_1_1bitset" prot="public">std::bitset</innerclass>
+    <innerclass refid="classstd_1_1deque" prot="public">std::deque</innerclass>
+    <innerclass refid="classstd_1_1list" prot="public">std::list</innerclass>
+    <innerclass refid="classstd_1_1forward__list" prot="public">std::forward_list</innerclass>
+    <innerclass refid="classstd_1_1pair" prot="public">std::pair</innerclass>
+    <innerclass refid="classstd_1_1map" prot="public">std::map</innerclass>
     <innerclass refid="classstd_1_1unordered__map" prot="public">std::unordered_map</innerclass>
+    <innerclass refid="classstd_1_1multimap" prot="public">std::multimap</innerclass>
     <innerclass refid="classstd_1_1unordered__multimap" prot="public">std::unordered_multimap</innerclass>
-    <innerclass refid="classstd_1_1unordered__multiset" prot="public">std::unordered_multiset</innerclass>
+    <innerclass refid="classstd_1_1set" prot="public">std::set</innerclass>
     <innerclass refid="classstd_1_1unordered__set" prot="public">std::unordered_set</innerclass>
-    <innerclass refid="classstd_1_1valarray" prot="public">std::valarray</innerclass>
+    <innerclass refid="classstd_1_1multiset" prot="public">std::multiset</innerclass>
+    <innerclass refid="classstd_1_1unordered__multiset" prot="public">std::unordered_multiset</innerclass>
+    <innerclass refid="classstd_1_1array" prot="public">std::array</innerclass>
     <innerclass refid="classstd_1_1vector" prot="public">std::vector</innerclass>
-    <innerclass refid="classstd_1_1weak__ptr" prot="public">std::weak_ptr</innerclass>
-    <innerclass refid="classstd_1_1wfstream" prot="public">std::wfstream</innerclass>
-    <innerclass refid="classstd_1_1wifstream" prot="public">std::wifstream</innerclass>
-    <innerclass refid="classstd_1_1wios" prot="public">std::wios</innerclass>
-    <innerclass refid="classstd_1_1wistream" prot="public">std::wistream</innerclass>
-    <innerclass refid="classstd_1_1wistringstream" prot="public">std::wistringstream</innerclass>
-    <innerclass refid="classstd_1_1wofstream" prot="public">std::wofstream</innerclass>
-    <innerclass refid="classstd_1_1wostream" prot="public">std::wostream</innerclass>
-    <innerclass refid="classstd_1_1wostringstream" prot="public">std::wostringstream</innerclass>
-    <innerclass refid="classstd_1_1wstring" prot="public">std::wstring</innerclass>
-    <innerclass refid="classstd_1_1wstring__view" prot="public">std::wstring_view</innerclass>
-    <innerclass refid="classstd_1_1wstringstream" prot="public">std::wstringstream</innerclass>
+    <innerclass refid="classstd_1_1span" prot="public">std::span</innerclass>
+    <innerclass refid="classstd_1_1queue" prot="public">std::queue</innerclass>
+    <innerclass refid="classstd_1_1priority__queue" prot="public">std::priority_queue</innerclass>
+    <innerclass refid="classstd_1_1stack" prot="public">std::stack</innerclass>
+    <innerclass refid="classstd_1_1valarray" prot="public">std::valarray</innerclass>
+    <innerclass refid="classstd_1_1exception" prot="public">std::exception</innerclass>
+    <innerclass refid="classstd_1_1bad__alloc" prot="public">std::bad_alloc</innerclass>
+    <innerclass refid="classstd_1_1bad__cast" prot="public">std::bad_cast</innerclass>
+    <innerclass refid="classstd_1_1bad__typeid" prot="public">std::bad_typeid</innerclass>
+    <innerclass refid="classstd_1_1logic__error" prot="public">std::logic_error</innerclass>
+    <innerclass refid="classstd_1_1runtime__error" prot="public">std::runtime_error</innerclass>
+    <innerclass refid="classstd_1_1bad__exception" prot="public">std::bad_exception</innerclass>
+    <innerclass refid="classstd_1_1domain__error" prot="public">std::domain_error</innerclass>
+    <innerclass refid="classstd_1_1invalid__argument" prot="public">std::invalid_argument</innerclass>
+    <innerclass refid="classstd_1_1length__error" prot="public">std::length_error</innerclass>
+    <innerclass refid="classstd_1_1out__of__range" prot="public">std::out_of_range</innerclass>
+    <innerclass refid="classstd_1_1range__error" prot="public">std::range_error</innerclass>
+    <innerclass refid="classstd_1_1overflow__error" prot="public">std::overflow_error</innerclass>
+    <innerclass refid="classstd_1_1underflow__error" prot="public">std::underflow_error</innerclass>
     <briefdescription>
 <para>STL namespace. </para>
     </briefdescription>
diff --git a/docs/cpp/xml/quaternion_8h.xml b/docs/cpp/xml/quaternion_8h.xml
index 37d79f5c..a918abc3 100644
--- a/docs/cpp/xml/quaternion_8h.xml
+++ b/docs/cpp/xml/quaternion_8h.xml
@@ -1,12 +1,25 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="quaternion_8h" kind="file" language="C++">
     <compoundname>quaternion.h</compoundname>
-    <includes local="no">cuda_runtime.h</includes>
+    <includes refid="common_8h" local="yes">libmolgrid/common.h</includes>
     <includedby refid="transform_8h" local="yes">transform.h</includedby>
     <incdepgraph>
       <node id="2">
-        <label>cuda_runtime.h</label>
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
       </node>
       <node id="1">
         <label>quaternion.h</label>
@@ -14,6 +27,24 @@
         <childnode refid="2" relation="include">
         </childnode>
       </node>
+      <node id="4">
+        <label>cstring</label>
+      </node>
+      <node id="6">
+        <label>iostream</label>
+      </node>
+      <node id="8">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="3">
+        <label>memory</label>
+      </node>
+      <node id="5">
+        <label>stdexcept</label>
+      </node>
+      <node id="7">
+        <label>string</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
       <node id="3">
@@ -22,27 +53,17 @@
         <childnode refid="4" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-      </node>
       <node id="5">
         <label>grid_maker.h</label>
         <link refid="grid__maker_8h"/>
         <childnode refid="6" relation="include">
         </childnode>
       </node>
-      <node id="7">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="8">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="4">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
+      <node id="1">
+        <label>quaternion.h</label>
+        <link refid="quaternion_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
       </node>
       <node id="2">
         <label>transform.h</label>
@@ -56,11 +77,21 @@
         <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="1">
-        <label>quaternion.h</label>
-        <link refid="quaternion_8h"/>
-        <childnode refid="2" relation="include">
-        </childnode>
+      <node id="4">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="6">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="7">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
+      <node id="8">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
       </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1Quaternion" prot="public">libmolgrid::Quaternion</innerclass>
@@ -70,153 +101,151 @@
     <detaileddescription>
     </detaileddescription>
     <programlisting>
-<codeline lineno="1"></codeline>
-<codeline lineno="6"><highlight class="preprocessor">#ifndef<sp/>QUATERNION_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="5"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>QUATERNION_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>QUATERNION_H_</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="8"><highlight class="normal"></highlight></codeline>
-<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;cuda_runtime.h&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="common_8h" kindref="compound">libmolgrid/common.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="10"><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
-<codeline lineno="13"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Quaternion</highlight></codeline>
-<codeline lineno="17" refid="classlibmolgrid_1_1Quaternion" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>{</highlight></codeline>
-<codeline lineno="18"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="19" refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">typedef</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref>;</highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight></codeline>
-<codeline lineno="21"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="22" refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>;</highlight></codeline>
-<codeline lineno="23" refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>;</highlight></codeline>
-<codeline lineno="24" refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>;</highlight></codeline>
-<codeline lineno="25" refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
-<codeline lineno="26"><highlight class="normal"></highlight></codeline>
-<codeline lineno="27"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
-<codeline lineno="28" refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>()</highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>(1),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>(0),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>(0),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>(0)<sp/>{</highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="31"><highlight class="normal"></highlight></codeline>
-<codeline lineno="33" refid="classlibmolgrid_1_1Quaternion_1a7bbd7af7c5c4cb2b4e32687121f66dbb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a7bbd7af7c5c4cb2b4e32687121f66dbb" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>A,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>B,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>C,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>D)</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>(A),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>(B),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>(C),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>(D)<sp/>{</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="36"><highlight class="normal"></highlight></codeline>
-<codeline lineno="38" refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" kindref="member">R_component_1</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>;</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="41"><highlight class="normal"></highlight></codeline>
-<codeline lineno="43" refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" kindref="member">R_component_2</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="44"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>;</highlight></codeline>
-<codeline lineno="45"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="46"><highlight class="normal"></highlight></codeline>
-<codeline lineno="48" refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" kindref="member">R_component_3</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="49"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>;</highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="51"><highlight class="normal"></highlight></codeline>
-<codeline lineno="53" refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" kindref="member">R_component_4</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="54"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
-<codeline lineno="55"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="56"><highlight class="normal"></highlight></codeline>
-<codeline lineno="58" refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a46b2c63f95d8107d0232793c4d45ed00" kindref="member">operator *=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
-<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*=<sp/>r;</highlight></codeline>
-<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*=<sp/>r;</highlight></codeline>
-<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*=<sp/>r;</highlight></codeline>
-<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*=<sp/>r;</highlight></codeline>
-<codeline lineno="63"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="64"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="65"><highlight class="normal"></highlight></codeline>
-<codeline lineno="67" refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8af81f03ca5aef87ad4a7c7b79ae3531" kindref="member">operator /=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>/=<sp/>r;</highlight></codeline>
-<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>/=<sp/>r;</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>/=<sp/>r;</highlight></codeline>
-<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>/=<sp/>r;</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="74"><highlight class="normal"></highlight></codeline>
-<codeline lineno="76" refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/><sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a72d0afd408f658a49ee8e14341f9d46e" kindref="member">operator/</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>/r);</highlight></codeline>
-<codeline lineno="78"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="79"><highlight class="normal"></highlight></codeline>
-<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/><sp/>__device__</highlight></codeline>
-<codeline lineno="82" refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a343462424e357bc086ffe88bbcdbc2a0" kindref="member">operator*</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ar<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" kindref="member">R_component_1</ref>();</highlight></codeline>
-<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>br<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" kindref="member">R_component_2</ref>();</highlight></codeline>
-<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>cr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" kindref="member">R_component_3</ref>();</highlight></codeline>
-<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" kindref="member">R_component_4</ref>();</highlight></codeline>
-<codeline lineno="87"><highlight class="normal"></highlight></codeline>
-<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>br<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>dr,</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>dr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>cr,<sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>br,</highlight></codeline>
-<codeline lineno="90"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>ar);</highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="92"><highlight class="normal"></highlight></codeline>
-<codeline lineno="94" refid="classlibmolgrid_1_1Quaternion_1aac6f15d6f3fc4a9f1fd23e05ebb67306" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1aac6f15d6f3fc4a9f1fd23e05ebb67306" kindref="member">operator*=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>r)<sp/>{</highlight></codeline>
-<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>*<sp/>r;</highlight></codeline>
-<codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="98"><highlight class="normal"></highlight></codeline>
-<codeline lineno="100" refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a561a6e2f591f226f12faf8a025fa20f0" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
-<codeline lineno="102"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="103"><highlight class="normal"></highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__</highlight></codeline>
-<codeline lineno="106" refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a62281f3ef1e7605f510b889919fa4302" kindref="member">operator/</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>r)<sp/>{</highlight></codeline>
-<codeline lineno="107"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ar<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" kindref="member">R_component_1</ref>();</highlight></codeline>
-<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>br<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" kindref="member">R_component_2</ref>();</highlight></codeline>
-<codeline lineno="109"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>cr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" kindref="member">R_component_3</ref>();</highlight></codeline>
-<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" kindref="member">R_component_4</ref>();</highlight></codeline>
-<codeline lineno="111"><highlight class="normal"></highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>denominator<sp/>=<sp/>ar<sp/>*<sp/>ar<sp/>+<sp/>br<sp/>*<sp/>br<sp/>+<sp/>cr<sp/>*<sp/>cr<sp/>+<sp/>dr<sp/>*<sp/>dr;</highlight></codeline>
-<codeline lineno="113"><highlight class="normal"></highlight></codeline>
-<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>at<sp/>=<sp/>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>dr)<sp/>/<sp/>denominator;</highlight></codeline>
-<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>bt<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>cr)<sp/>/<sp/>denominator;</highlight></codeline>
-<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ct<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>br)<sp/>/<sp/>denominator;</highlight></codeline>
-<codeline lineno="117"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dt<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>dr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>ar)<sp/>/<sp/>denominator;</highlight></codeline>
-<codeline lineno="118"><highlight class="normal"></highlight></codeline>
-<codeline lineno="119"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>(at,bt,ct,dt);</highlight></codeline>
-<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="121"><highlight class="normal"></highlight></codeline>
-<codeline lineno="123" refid="classlibmolgrid_1_1Quaternion_1a4142e5f08ee438946d003c2eb5cf959f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a4142e5f08ee438946d003c2eb5cf959f" kindref="member">operator/=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
-<codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>/<sp/>r;</highlight></codeline>
-<codeline lineno="125"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
-<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="127"><highlight class="normal"></highlight></codeline>
-<codeline lineno="129" refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" kindref="member">conj</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="130"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>,-<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>);</highlight></codeline>
-<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="132"><highlight class="normal"></highlight></codeline>
-<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__</highlight></codeline>
-<codeline lineno="134" refid="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a02fc5e7cd27f6408663e21c7d13e24b9" kindref="member">real</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a467deb37a0efc7b604796e8a41c908c1" kindref="member">R_component_1</ref>();</highlight></codeline>
-<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="137"><highlight class="normal"></highlight></codeline>
-<codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__</highlight></codeline>
-<codeline lineno="140" refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" kindref="member">norm</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
-<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="143"><highlight class="normal"></highlight></codeline>
-<codeline lineno="145" refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/><sp/><sp/><sp/>__device__<sp/>float3<sp/><ref refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" kindref="member">rotate</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>x,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>y,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>z)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>p(0,<sp/>x,<sp/>y,<sp/>z);</highlight></codeline>
-<codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>p<sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>*<sp/>p<sp/>*<sp/>(<ref refid="classlibmolgrid_1_1Quaternion_1ad0b622b3561a3b6be03e9660571a4c3d" kindref="member">conj</ref>()<sp/>/<sp/><ref refid="classlibmolgrid_1_1Quaternion_1aebb38f345c0f605a02e5f077cec9809a" kindref="member">norm</ref>());</highlight></codeline>
-<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_float3(p.<ref refid="classlibmolgrid_1_1Quaternion_1a862b788e777d6964207514ac8779aabb" kindref="member">R_component_2</ref>(),<sp/>p.<ref refid="classlibmolgrid_1_1Quaternion_1ab08e86e9ceeda72a964f884b3dfb3829" kindref="member">R_component_3</ref>(),<sp/>p.<ref refid="classlibmolgrid_1_1Quaternion_1a169b2e737053c17d206c7b6a6b2fa7e2" kindref="member">R_component_4</ref>());</highlight></codeline>
-<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="150"><highlight class="normal"></highlight></codeline>
-<codeline lineno="152" refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/>float3<sp/><ref refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" kindref="member">transform</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>x,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>y,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>z,<sp/>float3<sp/>center,<sp/>float3<sp/>translate)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>pt<sp/>=<sp/><ref refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" kindref="member">rotate</ref>(x<sp/>-<sp/>center.x,<sp/>y<sp/>-<sp/>center.y,<sp/>z<sp/>-<sp/>center.z);</highlight></codeline>
-<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>x<sp/>=<sp/>pt.x<sp/>+<sp/>center.x<sp/>+<sp/>translate.x;</highlight></codeline>
-<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>y<sp/>=<sp/>pt.y<sp/>+<sp/>center.y<sp/>+<sp/>translate.y;</highlight></codeline>
-<codeline lineno="156"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>z<sp/>=<sp/>pt.z<sp/>+<sp/>center.z<sp/>+<sp/>translate.z;</highlight></codeline>
-<codeline lineno="157"><highlight class="normal"></highlight></codeline>
-<codeline lineno="158"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>make_float3(x,y,z);</highlight></codeline>
-<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="160"><highlight class="normal"></highlight></codeline>
-<codeline lineno="161"><highlight class="normal"></highlight></codeline>
-<codeline lineno="163" refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/>__device__<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" kindref="member">inverse</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
-<codeline lineno="164"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>nsq<sp/>=<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
-<codeline lineno="165"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a2555599aae540b4d7c518fdb6396bc" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>/<sp/>nsq);</highlight></codeline>
-<codeline lineno="166"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="167"><highlight class="normal">};</highlight></codeline>
-<codeline lineno="168"><highlight class="normal"></highlight></codeline>
-<codeline lineno="169"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="170"><highlight class="normal"></highlight></codeline>
-<codeline lineno="171"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>QUATERNION_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Quaternion</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="15" refid="classlibmolgrid_1_1Quaternion" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/>{</highlight></codeline>
+<codeline lineno="16"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="17" refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">typedef</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref>;</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight></codeline>
+<codeline lineno="19"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">protected</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="20" refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>;</highlight></codeline>
+<codeline lineno="21" refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>;</highlight></codeline>
+<codeline lineno="22" refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>;</highlight></codeline>
+<codeline lineno="23" refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"></highlight></codeline>
+<codeline lineno="25"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="26" refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>()</highlight></codeline>
+<codeline lineno="27"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>(1),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>(0),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>(0),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>(0)<sp/>{</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="29"><highlight class="normal"></highlight></codeline>
+<codeline lineno="31" refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af9c903b94a6c50abe722574318206a5f" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>A,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>B,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>C,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>D)</highlight></codeline>
+<codeline lineno="32"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>(A),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>(B),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>(C),<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>(D)<sp/>{</highlight></codeline>
+<codeline lineno="33"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="34"><highlight class="normal"></highlight></codeline>
+<codeline lineno="36" refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" kindref="member">R_component_1</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="37"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>;</highlight></codeline>
+<codeline lineno="38"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"></highlight></codeline>
+<codeline lineno="41" refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" kindref="member">R_component_2</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>;</highlight></codeline>
+<codeline lineno="43"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="44"><highlight class="normal"></highlight></codeline>
+<codeline lineno="46" refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" kindref="member">R_component_3</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>;</highlight></codeline>
+<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="49"><highlight class="normal"></highlight></codeline>
+<codeline lineno="51" refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" kindref="member">R_component_4</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="54"><highlight class="normal"></highlight></codeline>
+<codeline lineno="56" refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1ac43c498bbb69f674156a9cff545be330" kindref="member">operator *=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
+<codeline lineno="57"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*=<sp/>r;</highlight></codeline>
+<codeline lineno="58"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*=<sp/>r;</highlight></codeline>
+<codeline lineno="59"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*=<sp/>r;</highlight></codeline>
+<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*=<sp/>r;</highlight></codeline>
+<codeline lineno="61"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="63"><highlight class="normal"></highlight></codeline>
+<codeline lineno="65" refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af5f54b2529fd6685533c92a2ddcfac20" kindref="member">operator /=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
+<codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>/=<sp/>r;</highlight></codeline>
+<codeline lineno="67"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>/=<sp/>r;</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>/=<sp/>r;</highlight></codeline>
+<codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>/=<sp/>r;</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"></highlight></codeline>
+<codeline lineno="74" refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1abc8d30cc40d761b76b312924f290e448" kindref="member">operator/</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>/r,<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>/r);</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"></highlight></codeline>
+<codeline lineno="79" refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a07c79162ee2d78b45386efe78b95f2f2" kindref="member">operator*</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="80"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ar<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" kindref="member">R_component_1</ref>();</highlight></codeline>
+<codeline lineno="81"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>br<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" kindref="member">R_component_2</ref>();</highlight></codeline>
+<codeline lineno="82"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>cr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" kindref="member">R_component_3</ref>();</highlight></codeline>
+<codeline lineno="83"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" kindref="member">R_component_4</ref>();</highlight></codeline>
+<codeline lineno="84"><highlight class="normal"></highlight></codeline>
+<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>br<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>dr,</highlight></codeline>
+<codeline lineno="86"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>dr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>cr,<sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>br,</highlight></codeline>
+<codeline lineno="87"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>cr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>ar);</highlight></codeline>
+<codeline lineno="88"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"></highlight></codeline>
+<codeline lineno="91" refid="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a7d407c73221b41d33160435621b0b8a9" kindref="member">operator*=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/>r)<sp/>{</highlight></codeline>
+<codeline lineno="92"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>*<sp/>r;</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"></highlight></codeline>
+<codeline lineno="97" refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afc5f0d3516e6e5a8c40d817f3066e825" kindref="member">operator==</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/>r)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>&amp;&amp;<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>==<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"></highlight></codeline>
+<codeline lineno="102" refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1619557713eaad7664f6258802a992e5" kindref="member">operator/</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>&amp;<sp/>r)<sp/>{</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ar<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" kindref="member">R_component_1</ref>();</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>br<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" kindref="member">R_component_2</ref>();</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>cr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" kindref="member">R_component_3</ref>();</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dr<sp/>=<sp/>r.<ref refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" kindref="member">R_component_4</ref>();</highlight></codeline>
+<codeline lineno="107"><highlight class="normal"></highlight></codeline>
+<codeline lineno="108"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>denominator<sp/>=<sp/>ar<sp/>*<sp/>ar<sp/>+<sp/>br<sp/>*<sp/>br<sp/>+<sp/>cr<sp/>*<sp/>cr<sp/>+<sp/>dr<sp/>*<sp/>dr;</highlight></codeline>
+<codeline lineno="109"><highlight class="normal"></highlight></codeline>
+<codeline lineno="110"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>at<sp/>=<sp/>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>ar<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>dr)<sp/>/<sp/>denominator;</highlight></codeline>
+<codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>bt<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>cr)<sp/>/<sp/>denominator;</highlight></codeline>
+<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>ct<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>dr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>ar<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>br)<sp/>/<sp/>denominator;</highlight></codeline>
+<codeline lineno="113"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>dt<sp/>=<sp/>(-<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/>dr<sp/>-<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/>cr<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/>br<sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/>ar)<sp/>/<sp/>denominator;</highlight></codeline>
+<codeline lineno="114"><highlight class="normal"></highlight></codeline>
+<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>(at,bt,ct,dt);</highlight></codeline>
+<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="117"><highlight class="normal"></highlight></codeline>
+<codeline lineno="119" refid="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a46bf0a617cfc8ca0f000b24e623e5977" kindref="member">operator/=</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/>&amp;r)<sp/>{</highlight></codeline>
+<codeline lineno="120"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>/<sp/>r;</highlight></codeline>
+<codeline lineno="121"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="122"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="123"><highlight class="normal"></highlight></codeline>
+<codeline lineno="125" refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" kindref="member">conj</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="126"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>(+<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>,-<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>);</highlight></codeline>
+<codeline lineno="127"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="128"><highlight class="normal"></highlight></codeline>
+<codeline lineno="129"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref></highlight></codeline>
+<codeline lineno="130" refid="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a538091aab527f4be5b038bfafb605ef5" kindref="member">real</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="131"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a61aa929dad0d6486cc26d6e9b1b9adfd" kindref="member">R_component_1</ref>();</highlight></codeline>
+<codeline lineno="132"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="133"><highlight class="normal"></highlight></codeline>
+<codeline lineno="135" refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" kindref="member">norm</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref>+<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>*<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="137"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="138"><highlight class="normal"></highlight></codeline>
+<codeline lineno="140" refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" kindref="member">rotate</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>x,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>y,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>z)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/>p(0,<sp/>x,<sp/>y,<sp/>z);</highlight></codeline>
+<codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>p<sp/>=<sp/>*</highlight><highlight class="keyword">this</highlight><highlight class="normal"><sp/>*<sp/>p<sp/>*<sp/>(<ref refid="classlibmolgrid_1_1Quaternion_1a57e81d7017da7081c04a57a2610c3016" kindref="member">conj</ref>()<sp/>/<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a583f916deca63208aab44e7a84e9449e" kindref="member">norm</ref>());</highlight></codeline>
+<codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(p.<ref refid="classlibmolgrid_1_1Quaternion_1a3a69e6543283201213fc1efe9c6da2c7" kindref="member">R_component_2</ref>(),<sp/>p.<ref refid="classlibmolgrid_1_1Quaternion_1a9a8f5f3ab85294797f17bd7685bb7acd" kindref="member">R_component_3</ref>(),<sp/>p.<ref refid="classlibmolgrid_1_1Quaternion_1a95c97610387ace925d2ff48ca0b24675" kindref="member">R_component_4</ref>());</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="145"><highlight class="normal"></highlight></codeline>
+<codeline lineno="147" refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/></highlight><highlight class="keyword">inline</highlight><highlight class="normal"><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" kindref="member">transform</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>x,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>y,<sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>z,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center,<sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>translate)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="148"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>pt<sp/>=<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" kindref="member">rotate</ref>(x<sp/>-<sp/>center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>,<sp/>y<sp/>-<sp/>center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>,<sp/>z<sp/>-<sp/>center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>);</highlight></codeline>
+<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>x<sp/>=<sp/>pt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>center.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>translate.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>y<sp/>=<sp/>pt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>center.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>translate.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>z<sp/>=<sp/>pt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>center.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>translate.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
+<codeline lineno="152"><highlight class="normal"></highlight></codeline>
+<codeline lineno="153"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(x,y,z);</highlight></codeline>
+<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="155"><highlight class="normal"></highlight></codeline>
+<codeline lineno="156"><highlight class="normal"></highlight></codeline>
+<codeline lineno="158" refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="common_8h_1abaa3393ea5f1f52b7fdfde2beec133b7" kindref="member">CUDA_CALLABLE_MEMBER</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref><sp/><ref refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" kindref="member">inverse</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
+<codeline lineno="159"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afee6b27aade9515867e43f1ad5d04661" kindref="member">fl</ref><sp/>nsq<sp/>=<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>+<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>*<sp/><ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref>;</highlight></codeline>
+<codeline lineno="160"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion_1afd494f5601a462ca5c09898fbbd35054" kindref="member">Quaternion</ref>(<ref refid="classlibmolgrid_1_1Quaternion_1a5f66f997dc06b4904ad8b5635556bb22" kindref="member">a</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1af2895ebe4a01560bc76631e8f3220f43" kindref="member">b</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a8798c01d0fb00ec1f48340413f2994c5" kindref="member">c</ref><sp/>/<sp/>nsq,<sp/>-<ref refid="classlibmolgrid_1_1Quaternion_1a1c5fae0657e69c2183af83c93d0c2981" kindref="member">d</ref><sp/>/<sp/>nsq);</highlight></codeline>
+<codeline lineno="161"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
+<codeline lineno="162"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="163"><highlight class="normal"></highlight></codeline>
+<codeline lineno="164"><highlight class="normal">}<sp/></highlight><highlight class="comment">/*<sp/>namespace<sp/>libmolgrid<sp/>*/</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="165"><highlight class="normal"></highlight></codeline>
+<codeline lineno="166"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>QUATERNION_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/quaternion.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/quaternion.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/string__cache_8cpp.xml b/docs/cpp/xml/string__cache_8cpp.xml
new file mode 100644
index 00000000..6ea8aca3
--- /dev/null
+++ b/docs/cpp/xml/string__cache_8cpp.xml
@@ -0,0 +1,44 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="string__cache_8cpp" kind="file" language="C++">
+    <compoundname>string_cache.cpp</compoundname>
+    <includes refid="string__cache_8h" local="yes">libmolgrid/string_cache.h</includes>
+    <incdepgraph>
+      <node id="2">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="4" relation="include">
+        </childnode>
+      </node>
+      <node id="1">
+        <label>string_cache.cpp</label>
+        <link refid="string__cache_8cpp"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>string</label>
+      </node>
+      <node id="4">
+        <label>unordered_set</label>
+      </node>
+    </incdepgraph>
+    <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
+    <programlisting>
+<codeline lineno="1"><highlight class="preprocessor">#include<sp/>&quot;<ref refid="string__cache_8h" kindref="compound">libmolgrid/string_cache.h</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="2"><highlight class="normal"></highlight></codeline>
+<codeline lineno="3"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="4"><highlight class="normal"></highlight></codeline>
+<codeline lineno="5" refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref><sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>;</highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal">}</highlight></codeline>
+    </programlisting>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/string_cache.cpp"/>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/string__cache_8h.xml b/docs/cpp/xml/string__cache_8h.xml
new file mode 100644
index 00000000..190d71dc
--- /dev/null
+++ b/docs/cpp/xml/string__cache_8h.xml
@@ -0,0 +1,230 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="string__cache_8h" kind="file" language="C++">
+    <compoundname>string_cache.h</compoundname>
+    <includes local="no">string</includes>
+    <includes local="no">unordered_set</includes>
+    <includedby refid="coord__cache_8cpp" local="yes">coord_cache.cpp</includedby>
+    <includedby refid="coordinateset_8h" local="yes">coordinateset.h</includedby>
+    <includedby refid="example_8h" local="yes">example.h</includedby>
+    <includedby refid="string__cache_8cpp" local="yes">string_cache.cpp</includedby>
+    <incdepgraph>
+      <node id="1">
+        <label>string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>string</label>
+      </node>
+      <node id="3">
+        <label>unordered_set</label>
+      </node>
+    </incdepgraph>
+    <invincdepgraph>
+      <node id="4">
+        <label>coord_cache.h</label>
+        <link refid="coord__cache_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+      </node>
+      <node id="3">
+        <label>coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+      </node>
+      <node id="12">
+        <label>example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="4" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
+        </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
+        </childnode>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+      </node>
+      <node id="6">
+        <label>example_dataset.h</label>
+        <link refid="example__dataset_8h"/>
+        <childnode refid="7" relation="include">
+        </childnode>
+      </node>
+      <node id="5">
+        <label>example_extractor.h</label>
+        <link refid="example__extractor_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+      </node>
+      <node id="9">
+        <label>example_provider.h</label>
+        <link refid="example__provider_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+      </node>
+      <node id="14">
+        <label>exampleref_providers.h</label>
+        <link refid="exampleref__providers_8h"/>
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
+        </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="15" relation="include">
+        </childnode>
+      </node>
+      <node id="16">
+        <label>grid_interpolater.h</label>
+        <link refid="grid__interpolater_8h"/>
+        <childnode refid="17" relation="include">
+        </childnode>
+      </node>
+      <node id="18">
+        <label>grid_maker.h</label>
+        <link refid="grid__maker_8h"/>
+        <childnode refid="19" relation="include">
+        </childnode>
+      </node>
+      <node id="1">
+        <label>string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="2" relation="include">
+        </childnode>
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="23" relation="include">
+        </childnode>
+      </node>
+      <node id="20">
+        <label>transform.h</label>
+        <link refid="transform_8h"/>
+        <childnode refid="16" relation="include">
+        </childnode>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="22" relation="include">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>coord_cache.cpp</label>
+        <link refid="coord__cache_8cpp"/>
+      </node>
+      <node id="11">
+        <label>coordinateset.cpp</label>
+        <link refid="coordinateset_8cpp"/>
+      </node>
+      <node id="13">
+        <label>example.cpp</label>
+        <link refid="example_8cpp"/>
+      </node>
+      <node id="7">
+        <label>example_dataset.cpp</label>
+        <link refid="example__dataset_8cpp"/>
+      </node>
+      <node id="8">
+        <label>example_extractor.cpp</label>
+        <link refid="example__extractor_8cpp"/>
+      </node>
+      <node id="10">
+        <label>example_provider.cpp</label>
+        <link refid="example__provider_8cpp"/>
+      </node>
+      <node id="15">
+        <label>exampleref_providers.cpp</label>
+        <link refid="exampleref__providers_8cpp"/>
+      </node>
+      <node id="17">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="19">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="21">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
+      <node id="23">
+        <label>string_cache.cpp</label>
+        <link refid="string__cache_8cpp"/>
+      </node>
+      <node id="22">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
+      </node>
+    </invincdepgraph>
+    <innerclass refid="classlibmolgrid_1_1StringCache" prot="public">libmolgrid::StringCache</innerclass>
+    <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+<para>Class for avoiding duplicate memory allocation of identical strings. Use const char* </para>
+    </detaileddescription>
+    <programlisting>
+<codeline lineno="1"><highlight class="normal"></highlight></codeline>
+<codeline lineno="6"><highlight class="normal"></highlight></codeline>
+<codeline lineno="7"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>STRING_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="8"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>STRING_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="9"><highlight class="normal"></highlight></codeline>
+<codeline lineno="10"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;string&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="11"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;unordered_set&gt;</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="12"><highlight class="normal"></highlight></codeline>
+<codeline lineno="13"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
+<codeline lineno="14"><highlight class="normal"></highlight></codeline>
+<codeline lineno="15"><highlight class="normal"></highlight><highlight class="comment">//for<sp/>memory<sp/>efficiency,<sp/>only<sp/>store<sp/>a<sp/>given<sp/>string<sp/>once<sp/>and<sp/>use<sp/>the<sp/>const<sp/>char*</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="16" refid="classlibmolgrid_1_1StringCache" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1StringCache" kindref="compound">StringCache</ref><sp/>{</highlight></codeline>
+<codeline lineno="17"><highlight class="normal"><sp/><sp/>std::unordered_set&lt;std::string&gt;<sp/>strings;</highlight></codeline>
+<codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
+<codeline lineno="19" refid="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4" refkind="member"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">char</highlight><highlight class="normal">*<sp/><ref refid="classlibmolgrid_1_1StringCache_1a437f5af637a34a18bf4e6ac272b1d2d4" kindref="member">get</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::string&amp;<sp/>s)</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"><sp/><sp/>{</highlight></codeline>
+<codeline lineno="21"><highlight class="normal"><sp/><sp/><sp/><sp/>strings.insert(s);</highlight></codeline>
+<codeline lineno="22"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//we<sp/>assume<sp/>even<sp/>as<sp/>the<sp/>set<sp/>is<sp/>resized<sp/>that<sp/>strings<sp/>never<sp/>get<sp/>allocated</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="23"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>strings.find(s)-&gt;c_str();</highlight></codeline>
+<codeline lineno="24"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
+<codeline lineno="25"><highlight class="normal">};</highlight></codeline>
+<codeline lineno="26"><highlight class="normal"></highlight></codeline>
+<codeline lineno="27"><highlight class="normal"></highlight><highlight class="keyword">extern</highlight><highlight class="normal"><sp/>StringCache<sp/><ref refid="namespacelibmolgrid_1ae85ac8fbef92553b049a1d50afa4c183" kindref="member">string_cache</ref>;</highlight></codeline>
+<codeline lineno="28"><highlight class="normal"></highlight></codeline>
+<codeline lineno="29"><highlight class="normal">};<sp/></highlight><highlight class="comment">//namespace<sp/>libmolgrid</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="30"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">//<sp/>STRING_CACHE_H_</highlight><highlight class="normal"></highlight></codeline>
+    </programlisting>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/string_cache.h"/>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/structdouble3.xml b/docs/cpp/xml/structdouble3.xml
new file mode 100644
index 00000000..28584faa
--- /dev/null
+++ b/docs/cpp/xml/structdouble3.xml
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structdouble3" kind="struct" language="C++" prot="public">
+    <compoundname>double3</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structdouble3_1af88b946fb90d5f08b5fb740c70e98c10" prot="public" static="no" mutable="no">
+        <type>double</type>
+        <definition>double x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>double3::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="39" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="39" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structdouble3_1ab927965981178aa1fba979a37168db2a" prot="public" static="no" mutable="no">
+        <type>double</type>
+        <definition>double y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>double3::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="39" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="39" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structdouble3_1ab3e6ed577a7c669c19de1f9c1b46c872" prot="public" static="no" mutable="no">
+        <type>double</type>
+        <definition>double z</definition>
+        <argsstring></argsstring>
+        <name>z</name>
+        <qualifiedname>double3::z</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="39" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="39" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="39" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="39" bodyend="39"/>
+    <listofallmembers>
+      <member refid="structdouble3_1af88b946fb90d5f08b5fb740c70e98c10" prot="public" virt="non-virtual"><scope>double3</scope><name>x</name></member>
+      <member refid="structdouble3_1ab927965981178aa1fba979a37168db2a" prot="public" virt="non-virtual"><scope>double3</scope><name>y</name></member>
+      <member refid="structdouble3_1ab3e6ed577a7c669c19de1f9c1b46c872" prot="public" virt="non-virtual"><scope>double3</scope><name>z</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/structfloat2.xml b/docs/cpp/xml/structfloat2.xml
new file mode 100644
index 00000000..351735cd
--- /dev/null
+++ b/docs/cpp/xml/structfloat2.xml
@@ -0,0 +1,46 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structfloat2" kind="struct" language="C++" prot="public">
+    <compoundname>float2</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structfloat2_1ad0da36b2558901e21e7a30f6c227a45e" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>float2::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="32" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="32" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat2_1aa4f0d3eebc3c443f9be81bf48561a217" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>float2::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="32" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="32" bodyend="-1"/>
+      </memberdef>
+    </sectiondef>
+    <briefdescription>
+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="32" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="32" bodyend="32"/>
+    <listofallmembers>
+      <member refid="structfloat2_1ad0da36b2558901e21e7a30f6c227a45e" prot="public" virt="non-virtual"><scope>float2</scope><name>x</name></member>
+      <member refid="structfloat2_1aa4f0d3eebc3c443f9be81bf48561a217" prot="public" virt="non-virtual"><scope>float2</scope><name>y</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/structfloat3.xml b/docs/cpp/xml/structfloat3.xml
new file mode 100644
index 00000000..7a11f67e
--- /dev/null
+++ b/docs/cpp/xml/structfloat3.xml
@@ -0,0 +1,128 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structfloat3" kind="struct" language="C++" prot="public">
+    <compoundname>float3</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>float3::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="33" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="33" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" compoundref="grid__maker_8cpp" startline="819" endline="831">GridMaker::accumulate_atom_gradient</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" compoundref="grid__interpolater_8h" startline="150" endline="153">libmolgrid::cart2grid</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" compoundref="coordinateset_8cpp" startline="214" endline="229">CoordinateSet::center</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" compoundref="grid__maker_8cpp" startline="163" endline="178">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" compoundref="grid__maker_8cpp" startline="137" endline="144">GridMaker::get_grid_origin</referencedby>
+        <referencedby refid="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" compoundref="grid__interpolater_8h" startline="156" endline="159">libmolgrid::grid2cart</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" compoundref="grid__interpolater_8cpp" startline="95" endline="116">GridInterpolater::interpolate</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" compoundref="grid__io_8cpp" startline="21" endline="67">libmolgrid::read_dx_helper</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" compoundref="grid__maker_8cpp" startline="17" endline="23">libmolgrid::sqDistance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" compoundref="quaternion_8h" startline="147" endline="154">Quaternion::transform</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" compoundref="grid__io_8cpp" startline="134" endline="166">libmolgrid::write_dx</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" compoundref="grid__io_8cpp" startline="205" endline="221">libmolgrid::write_map</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>float3::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="33" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="33" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" compoundref="grid__maker_8cpp" startline="819" endline="831">GridMaker::accumulate_atom_gradient</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" compoundref="grid__interpolater_8h" startline="150" endline="153">libmolgrid::cart2grid</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" compoundref="coordinateset_8cpp" startline="214" endline="229">CoordinateSet::center</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" compoundref="grid__maker_8cpp" startline="137" endline="144">GridMaker::get_grid_origin</referencedby>
+        <referencedby refid="namespacelibmolgrid_1ae8f520071e1b955a3bdd1faae4c469e1" compoundref="grid__interpolater_8h" startline="156" endline="159">libmolgrid::grid2cart</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1adc8e68ef6828c397e83f865acafe1ebe" compoundref="grid__interpolater_8cpp" startline="95" endline="116">GridInterpolater::interpolate</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a11a5279a23d503013bef4fbb06a24175" compoundref="grid__io_8cpp" startline="21" endline="67">libmolgrid::read_dx_helper</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" compoundref="grid__maker_8cpp" startline="17" endline="23">libmolgrid::sqDistance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Quaternion_1aa764222e6afe762046b62782bde6e29d" compoundref="quaternion_8h" startline="147" endline="154">Quaternion::transform</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" compoundref="grid__io_8cpp" startline="134" endline="166">libmolgrid::write_dx</referencedby>
+        <referencedby refid="namespacelibmolgrid_1a2fd3cdc3e58f538b5ae29f29654a5b2c" compoundref="grid__io_8cpp" startline="205" endline="221">libmolgrid::write_map</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float z</definition>
+        <argsstring></argsstring>
+        <name>z</name>
+        <qualifiedname>float3::z</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="33" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="33" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa1439cde05a5a2a317db12f73106e446" compoundref="grid__maker_8cpp" startline="819" endline="831">GridMaker::accumulate_atom_gradient</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a2c462d84c2b3da4f21cd34bf090ca082" compoundref="grid__maker_8cpp" startline="474" endline="504">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a295ce148c4e19395e708faea12c75277" compoundref="grid__maker_8cpp" startline="515" endline="556">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" compoundref="transform_8cpp" startline="86" endline="108">Transform::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af457a155904998fbe8c13975da3e5621" compoundref="grid__maker_8cpp" startline="567" endline="709">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a1a735ee13a6e12200fb658a53e0b67de" compoundref="grid__maker_8cpp" startline="363" endline="391">GridMaker::calc_atom_gradient_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0a20208c4e6fa5a78246cde3ab49bc9e" compoundref="grid__maker_8cpp" startline="429" endline="470">GridMaker::calc_atom_relevance_cpu</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a4d0c137542b8c950dda72664ba863d5e" compoundref="grid__maker_8cpp" startline="395" endline="426">GridMaker::calc_type_gradient_cpu</referencedby>
+        <referencedby refid="namespacelibmolgrid_1acfacaae4a5dc7eec326fa4ba102ea43d" compoundref="grid__interpolater_8h" startline="150" endline="153">libmolgrid::cart2grid</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" compoundref="coordinateset_8cpp" startline="214" endline="229">CoordinateSet::center</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridInterpolater_1aa7f689a401310ce064f2f0903842c0ab" compoundref="grid__interpolater_8cpp" startline="17" endline="48">GridInterpolater::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac649c0133cc073d3723d6ce5a988dd95" compoundref="grid__maker_8cpp" startline="191" endline="249">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a8c898c16136d1e92cde44206378d693e" compoundref="grid__maker_8cpp" startline="252" endline="308">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" compoundref="transform_8cpp" startline="58" endline="79">Transform::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ab16c65f66c2e566acc578b719c383e7b" compoundref="grid__maker_8cpp" startline="137" endline="144">GridMaker::get_grid_origin</referencedby>
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+        <referencedby refid="namespacelibmolgrid_1a0809454f9f673fc9cc0faca07b7d7c75" compoundref="grid__maker_8cpp" startline="17" endline="23">libmolgrid::sqDistance</referencedby>
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+        <referencedby refid="namespacelibmolgrid_1a6a20da8af322317857655e627f1e9f5d" compoundref="grid__io_8cpp" startline="134" endline="166">libmolgrid::write_dx</referencedby>
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diff --git a/docs/cpp/xml/structfloat4.xml b/docs/cpp/xml/structfloat4.xml
new file mode 100644
index 00000000..b18b411c
--- /dev/null
+++ b/docs/cpp/xml/structfloat4.xml
@@ -0,0 +1,76 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structfloat4" kind="struct" language="C++" prot="public">
+    <compoundname>float4</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structfloat4_1ad0da36b2558901e21e7a30f6c227a45e" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>float4::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="34" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="34" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat4_1aa4f0d3eebc3c443f9be81bf48561a217" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>float4::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="34" column="21" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="34" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat4_1af73583b1e980b0aa03f9884812e9fd4d" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float z</definition>
+        <argsstring></argsstring>
+        <name>z</name>
+        <qualifiedname>float4::z</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="34" column="23" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="34" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structfloat4_1a56eca241e2896b9f57a79589e76fd24b" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float w</definition>
+        <argsstring></argsstring>
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+        <qualifiedname>float4::w</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+    <listofallmembers>
+      <member refid="structfloat4_1a56eca241e2896b9f57a79589e76fd24b" prot="public" virt="non-virtual"><scope>float4</scope><name>w</name></member>
+      <member refid="structfloat4_1ad0da36b2558901e21e7a30f6c227a45e" prot="public" virt="non-virtual"><scope>float4</scope><name>x</name></member>
+      <member refid="structfloat4_1aa4f0d3eebc3c443f9be81bf48561a217" prot="public" virt="non-virtual"><scope>float4</scope><name>y</name></member>
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diff --git a/docs/cpp/xml/structint2.xml b/docs/cpp/xml/structint2.xml
new file mode 100644
index 00000000..9d75b20e
--- /dev/null
+++ b/docs/cpp/xml/structint2.xml
@@ -0,0 +1,46 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structint2" kind="struct" language="C++" prot="public">
+    <compoundname>int2</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structint2_1a6150e0515f7202e2fb518f7206ed97dc" prot="public" static="no" mutable="no">
+        <type>int</type>
+        <definition>int x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>int2::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="35" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="35" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structint2_1a0a2f84ed7838f07779ae24c5a9086d33" prot="public" static="no" mutable="no">
+        <type>int</type>
+        <definition>int y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>int2::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="35" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="35" bodyend="-1"/>
+      </memberdef>
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+    <briefdescription>
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+    </detaileddescription>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="35" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="35" bodyend="35"/>
+    <listofallmembers>
+      <member refid="structint2_1a6150e0515f7202e2fb518f7206ed97dc" prot="public" virt="non-virtual"><scope>int2</scope><name>x</name></member>
+      <member refid="structint2_1a0a2f84ed7838f07779ae24c5a9086d33" prot="public" virt="non-virtual"><scope>int2</scope><name>y</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/structint3.xml b/docs/cpp/xml/structint3.xml
new file mode 100644
index 00000000..dddd1477
--- /dev/null
+++ b/docs/cpp/xml/structint3.xml
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structint3" kind="struct" language="C++" prot="public">
+    <compoundname>int3</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structint3_1a6150e0515f7202e2fb518f7206ed97dc" prot="public" static="no" mutable="no">
+        <type>int</type>
+        <definition>int x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>int3::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="36" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="36" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structint3_1a0a2f84ed7838f07779ae24c5a9086d33" prot="public" static="no" mutable="no">
+        <type>int</type>
+        <definition>int y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>int3::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+        <argsstring></argsstring>
+        <name>z</name>
+        <qualifiedname>int3::z</qualifiedname>
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+        <detaileddescription>
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diff --git a/docs/cpp/xml/structlibmolgrid_1_1CoordinateSet.xml b/docs/cpp/xml/structlibmolgrid_1_1CoordinateSet.xml
index 60775acb..1e8861d0 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1CoordinateSet.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1CoordinateSet.xml
@@ -1,14 +1,15 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1CoordinateSet" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::CoordinateSet</compoundname>
     <includes refid="coordinateset_8h" local="no">coordinateset.h</includes>
-      <sectiondef kind="public-attrib">
+    <sectiondef kind="public-attrib">
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1ab07880806114807e7acf5d65926daa63" prot="public" static="no" mutable="no">
         <type>MGrid2f</type>
         <definition>MGrid2f coords</definition>
         <argsstring></argsstring>
         <name>coords</name>
+        <qualifiedname>libmolgrid::CoordinateSet::coords</qualifiedname>
         <initializer>{0,3}</initializer>
         <briefdescription>
         </briefdescription>
@@ -16,33 +17,51 @@
         </detaileddescription>
         <inbodydescription>
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-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="30" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="30" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="315" endline="322">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="509" endline="520">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="559" endline="567">GridMaker::backward_relevance</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="33" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="33" bodyend="33"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="338" endline="345">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="319" endline="326">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" compoundref="grid__maker_8h" startline="377" endline="384">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" compoundref="grid__maker_8h" startline="358" endline="365">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="513" endline="524">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" compoundref="grid__maker_8h" startline="540" endline="551">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="563" endline="571">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="582" endline="590">GridMaker::backward_relevance</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" compoundref="coordinateset_8cpp" startline="214" endline="229">CoordinateSet::center</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="119" endline="126">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="122" endline="129">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" compoundref="coordinateset_8cpp" startline="116" endline="121">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" compoundref="coordinateset_8cpp" startline="161" endline="166">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" compoundref="coordinateset_8cpp" startline="123" endline="128">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" compoundref="coordinateset_8cpp" startline="168" endline="173">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" compoundref="coordinateset_8cpp" startline="97" endline="113">CoordinateSet::CoordinateSet</referencedby>
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+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="313" endline="319">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="314" endline="320">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="328" endline="346">CoordinateSet::copyTo</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" compoundref="coordinateset_8cpp" startline="231" endline="243">CoordinateSet::dump</referencedby>
-        <referencedby refid="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd" compoundref="transform_8cpp" startline="45" endline="55">Transform::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" compoundref="coordinateset_8h" startline="81" endline="81">CoordinateSet::has_indexed_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" compoundref="coordinateset_8h" startline="84" endline="84">CoordinateSet::has_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="71" endline="102">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="113" endline="116">CoordinateSet::operator==</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" compoundref="coordinateset_8h" startline="104" endline="104">CoordinateSet::size</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1Transform_1a528689e8c1bf63b7ec5b89c2abbed0bd" compoundref="transform_8cpp" startline="45" endline="55">Transform::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" compoundref="coordinateset_8h" startline="84" endline="84">CoordinateSet::has_indexed_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" compoundref="coordinateset_8h" startline="87" endline="87">CoordinateSet::has_vector_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" compoundref="coordinateset_8h" startline="107" endline="107">CoordinateSet::size</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" compoundref="coordinateset_8cpp" startline="245" endline="250">CoordinateSet::size_like</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="110" endline="110">CoordinateSet::tocpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="109" endline="109">CoordinateSet::togpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="113" endline="113">CoordinateSet::tocpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="112" endline="112">CoordinateSet::togpu</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1aa1f38e257ccb35de6423f6e749ff28f3" prot="public" static="no" mutable="no">
         <type>MGrid1f</type>
         <definition>MGrid1f type_index</definition>
         <argsstring></argsstring>
         <name>type_index</name>
+        <qualifiedname>libmolgrid::CoordinateSet::type_index</qualifiedname>
         <initializer>{0}</initializer>
         <briefdescription>
         </briefdescription>
@@ -50,30 +69,39 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="31" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="31" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="334" endline="341">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="559" endline="567">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="119" endline="126">CoordinateSet::clone</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="34" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="34" bodyend="34"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="338" endline="345">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" compoundref="grid__maker_8h" startline="377" endline="384">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="563" endline="571">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="582" endline="590">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="122" endline="129">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" compoundref="coordinateset_8cpp" startline="116" endline="121">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" compoundref="coordinateset_8cpp" startline="123" endline="128">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" compoundref="coordinateset_8cpp" startline="97" endline="113">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" compoundref="coordinateset_8cpp" startline="75" endline="94">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="313" endline="319">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="314" endline="320">CoordinateSet::copyTo</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" compoundref="coordinateset_8cpp" startline="231" endline="243">CoordinateSet::dump</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" compoundref="coordinateset_8h" startline="81" endline="81">CoordinateSet::has_indexed_types</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" compoundref="coordinateset_8h" startline="84" endline="84">CoordinateSet::has_indexed_types</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" compoundref="coordinateset_8cpp" startline="187" endline="212">CoordinateSet::make_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="71" endline="102">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="113" endline="116">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" compoundref="coordinateset_8cpp" startline="245" endline="250">CoordinateSet::size_like</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="110" endline="110">CoordinateSet::tocpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="109" endline="109">CoordinateSet::togpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="113" endline="113">CoordinateSet::tocpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="112" endline="112">CoordinateSet::togpu</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1a94c1de66d5b2a1b72b12390f62e933d2" prot="public" static="no" mutable="no">
         <type>MGrid2f</type>
         <definition>MGrid2f type_vector</definition>
         <argsstring></argsstring>
         <name>type_vector</name>
+        <qualifiedname>libmolgrid::CoordinateSet::type_vector</qualifiedname>
         <initializer>{0,0}</initializer>
         <briefdescription>
         </briefdescription>
@@ -81,29 +109,37 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="32" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="32" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="315" endline="322">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="509" endline="520">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="119" endline="126">CoordinateSet::clone</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="35" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="35" bodyend="35"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="319" endline="326">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" compoundref="grid__maker_8h" startline="358" endline="365">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="513" endline="524">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" compoundref="grid__maker_8h" startline="540" endline="551">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="122" endline="129">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" compoundref="coordinateset_8cpp" startline="161" endline="166">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" compoundref="coordinateset_8cpp" startline="168" endline="173">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="327" endline="345">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="328" endline="346">CoordinateSet::copyTo</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" compoundref="coordinateset_8h" startline="84" endline="84">CoordinateSet::has_vector_types</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" compoundref="coordinateset_8h" startline="87" endline="87">CoordinateSet::has_vector_types</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" compoundref="coordinateset_8cpp" startline="187" endline="212">CoordinateSet::make_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="140" endline="198">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="113" endline="116">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" compoundref="coordinateset_8cpp" startline="245" endline="250">CoordinateSet::size_like</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="110" endline="110">CoordinateSet::tocpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="109" endline="109">CoordinateSet::togpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="113" endline="113">CoordinateSet::tocpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="112" endline="112">CoordinateSet::togpu</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" prot="public" static="no" mutable="no">
         <type>MGrid1f</type>
         <definition>MGrid1f radii</definition>
         <argsstring></argsstring>
         <name>radii</name>
+        <qualifiedname>libmolgrid::CoordinateSet::radii</qualifiedname>
         <initializer>{0}</initializer>
         <briefdescription>
         </briefdescription>
@@ -111,28 +147,46 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="33" column="11" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="33" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="315" endline="322">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="509" endline="520">GridMaker::backward_gradients</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="559" endline="567">GridMaker::backward_relevance</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="119" endline="126">CoordinateSet::clone</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="36" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="36" bodyend="36"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="338" endline="345">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="319" endline="326">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" compoundref="grid__maker_8h" startline="377" endline="384">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" compoundref="grid__maker_8h" startline="358" endline="365">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="513" endline="524">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" compoundref="grid__maker_8h" startline="540" endline="551">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="563" endline="571">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="582" endline="590">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="122" endline="129">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" compoundref="coordinateset_8cpp" startline="116" endline="121">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" compoundref="coordinateset_8cpp" startline="161" endline="166">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" compoundref="coordinateset_8cpp" startline="123" endline="128">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" compoundref="coordinateset_8cpp" startline="168" endline="173">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" compoundref="coordinateset_8cpp" startline="97" endline="113">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" compoundref="coordinateset_8cpp" startline="75" endline="94">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="313" endline="319">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" compoundref="coordinateset_8cpp" startline="314" endline="320">CoordinateSet::copyTo</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" compoundref="coordinateset_8cpp" startline="328" endline="346">CoordinateSet::copyTo</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" compoundref="coordinateset_8cpp" startline="187" endline="212">CoordinateSet::make_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="71" endline="102">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="113" endline="116">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" compoundref="coordinateset_8cpp" startline="245" endline="250">CoordinateSet::size_like</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="110" endline="110">CoordinateSet::tocpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="109" endline="109">CoordinateSet::togpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" compoundref="coordinateset_8h" startline="113" endline="113">CoordinateSet::tocpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" compoundref="coordinateset_8h" startline="112" endline="112">CoordinateSet::togpu</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1a9a1fde4b37ea791b44ef34157cc33584" prot="public" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned max_type</definition>
         <argsstring></argsstring>
         <name>max_type</name>
+        <qualifiedname>libmolgrid::CoordinateSet::max_type</qualifiedname>
         <initializer>= 0</initializer>
         <briefdescription>
 <para>radii - for type_index, indexed by atom, for type vector, indexed by type </para>
@@ -141,23 +195,31 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="34" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="34" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="37" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="37" bodyend="-1"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" compoundref="coordinateset_8cpp" startline="116" endline="121">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" compoundref="coordinateset_8cpp" startline="161" endline="166">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" compoundref="coordinateset_8cpp" startline="123" endline="128">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" compoundref="coordinateset_8cpp" startline="168" endline="173">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" compoundref="coordinateset_8cpp" startline="97" endline="113">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" compoundref="coordinateset_8cpp" startline="75" endline="94">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" compoundref="coordinateset_8cpp" startline="187" endline="212">CoordinateSet::make_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="71" endline="102">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" compoundref="coordinateset_8h" startline="94" endline="94">CoordinateSet::num_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="113" endline="116">CoordinateSet::operator==</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" compoundref="coordinateset_8h" startline="97" endline="97">CoordinateSet::set_num_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" compoundref="coordinateset_8h" startline="97" endline="97">CoordinateSet::num_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" compoundref="coordinateset_8h" startline="100" endline="100">CoordinateSet::set_num_types</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1CoordinateSet_1af51e37c9331049b1e3d250a7c8bc3c26" prot="public" static="no" mutable="no">
         <type>const char *</type>
         <definition>const char* src</definition>
         <argsstring></argsstring>
         <name>src</name>
+        <qualifiedname>libmolgrid::CoordinateSet::src</qualifiedname>
         <initializer>= nullptr</initializer>
         <briefdescription>
         </briefdescription>
@@ -165,17 +227,39 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="35" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="35" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="38" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="38" bodyend="-1"/>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" compoundref="coordinateset_8h" startline="144" endline="164">CoordinateSet::serialize</referencedby>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
+      </memberdef>
+    </sectiondef>
+    <sectiondef kind="friend">
+      <memberdef kind="friend" id="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
+        <type>class</type>
+        <definition>friend class boost::serialization::access</definition>
+        <argsstring></argsstring>
+        <name>boost::serialization::access</name>
+        <qualifiedname>libmolgrid::CoordinateSet::access</qualifiedname>
+        <param>
+          <type>boost::serialization::access</type>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="143" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="143" bodyend="-1"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" compoundref="coordinateset_8h" startline="143">CoordinateSet::boost::serialization::access</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>()</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <briefdescription>
 <para>source (filename) of coordinates, if available </para>
         </briefdescription>
@@ -183,13 +267,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="37" column="3" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="37" bodyend="37"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="40" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="40" bodyend="40"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" compoundref="coordinateset_8h" startline="122" endline="129">CoordinateSet::clone</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" compoundref="coordinateset_8cpp" startline="75" endline="94">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" compoundref="coordinateset_8h" startline="116" endline="119">CoordinateSet::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" compoundref="coordinateset_8cpp" startline="245" endline="250">CoordinateSet::size_like</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a719045b5fd0daf9c088757c8fc472faa" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(OpenBabel::OBMol *mol, const AtomTyper &amp;typer)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>OpenBabel::OBMol *</type>
           <declname>mol</declname>
@@ -205,13 +298,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="40" column="3"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="43" column="3"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a98107b1a6afad7cf14271f71f0b019c5" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(OpenBabel::OBMol *mol)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>OpenBabel::OBMol *</type>
           <declname>mol</declname>
@@ -222,15 +316,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="41" column="3"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="44" column="3"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const std::vector&lt; float3 &gt; &amp;c, const std::vector&lt; int &gt; &amp;t, const std::vector&lt; float &gt; &amp;r, unsigned maxt)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
-          <type>const std::vector&lt; float3 &gt; &amp;</type>
+          <type>const std::vector&lt; <ref refid="structfloat3" kindref="compound">float3</ref> &gt; &amp;</type>
           <declname>c</declname>
         </param>
         <param>
@@ -252,15 +347,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="44" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="75" bodyend="94"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="47" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="75" bodyend="94"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const std::vector&lt; float3 &gt; &amp;c, const std::vector&lt; float &gt; &amp;t, const std::vector&lt; float &gt; &amp;r, unsigned maxt)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
-          <type>const std::vector&lt; float3 &gt; &amp;</type>
+          <type>const std::vector&lt; <ref refid="structfloat3" kindref="compound">float3</ref> &gt; &amp;</type>
           <declname>c</declname>
         </param>
         <param>
@@ -281,13 +377,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="45" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="97" bodyend="113"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="48" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="97" bodyend="113"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a99005f3fa607768e70393978a8cac1c8" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const Grid2f &amp;coords, const Grid1f &amp;t, const Grid1f &amp;radii, unsigned maxt)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>const Grid2f &amp;</type>
           <declname>coords</declname>
@@ -311,13 +408,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="48" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="116" bodyend="121"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="51" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="116" bodyend="121"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1acdc0f7d756295891ee55a6b6a51d7cc8" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const Grid2fCUDA &amp;coords, const Grid1fCUDA &amp;t, const Grid1fCUDA &amp;radii, unsigned maxt)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>const Grid2fCUDA &amp;</type>
           <declname>coords</declname>
@@ -340,15 +438,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="49" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="123" bodyend="128"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="52" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="123" bodyend="128"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const std::vector&lt; float3 &gt; &amp;c, const std::vector&lt; std::vector&lt; float &gt; &gt; &amp;t, const std::vector&lt; float &gt; &amp;r)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
-          <type>const std::vector&lt; float3 &gt; &amp;</type>
+          <type>const std::vector&lt; <ref refid="structfloat3" kindref="compound">float3</ref> &gt; &amp;</type>
           <declname>c</declname>
         </param>
         <param>
@@ -366,13 +465,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="52" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="137" bodyend="158"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="55" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="137" bodyend="158"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1afef7471a5b7cf9edb353f43e0ab7bd7f" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const Grid2f &amp;cr, const Grid2f &amp;t, const Grid1f &amp;r)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>const Grid2f &amp;</type>
           <declname>cr</declname>
@@ -392,13 +492,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="55" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="161" bodyend="166"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="58" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="161" bodyend="166"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1ad22e94bba40b6fa67632488426314973" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const Grid2fCUDA &amp;cr, const Grid2fCUDA &amp;t, const Grid1fCUDA &amp;r)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
           <type>const Grid2fCUDA &amp;</type>
           <declname>cr</declname>
@@ -417,19 +518,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="56" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="168" bodyend="173"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="59" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="168" bodyend="173"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>CoordinateSet</definition>
         <argsstring>(const CoordinateSet &amp;rec, const CoordinateSet &amp;lig, bool unique_index_types=true)</argsstring>
         <name>CoordinateSet</name>
+        <qualifiedname>libmolgrid::CoordinateSet::CoordinateSet</qualifiedname>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const CoordinateSet &amp;</type>
           <declname>rec</declname>
         </param>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const CoordinateSet &amp;</type>
           <declname>lig</declname>
         </param>
         <param>
@@ -444,7 +546,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="60" column="3" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="176" bodyend="183"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="63" column="3" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="176" bodyend="183"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a5e03f82a57c74b8044e504f82ae74fa6" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -458,6 +560,7 @@
         <definition>size_t copyTo</definition>
         <argsstring>(Grid&lt; float, 2, isCUDA &gt; &amp;c, Grid&lt; float, 1, isCUDA &gt; &amp;t, Grid&lt; float, 1, isCUDA &gt; &amp;r) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::CoordinateSet::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 2, isCUDA &gt; &amp;</type>
           <declname>c</declname>
@@ -477,7 +580,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="69" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="313" bodyend="319"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="72" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="314" bodyend="320"/>
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       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a83a328bdae1d46ef085214c4e2908a3b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -491,6 +594,7 @@
         <definition>size_t copyTo</definition>
         <argsstring>(Grid&lt; float, 2, isCUDA &gt; &amp;c, Grid&lt; float, 2, isCUDA &gt; &amp;t, Grid&lt; float, 1, isCUDA &gt; &amp;r) const</argsstring>
         <name>copyTo</name>
+        <qualifiedname>libmolgrid::CoordinateSet::copyTo</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 2, isCUDA &gt; &amp;</type>
           <declname>c</declname>
@@ -510,13 +614,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="78" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="327" bodyend="345"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="81" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="328" bodyend="346"/>
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       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a0383762ea62d2afd3844dea2c4a0befb" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool has_indexed_types</definition>
         <argsstring>() const</argsstring>
         <name>has_indexed_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::has_indexed_types</qualifiedname>
         <briefdescription>
 <para>return true if index types are available (or no atoms) </para>
         </briefdescription>
@@ -524,18 +629,21 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="81" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="81" bodyend="81"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="334" endline="341">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="559" endline="567">GridMaker::backward_relevance</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="84" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="84" bodyend="84"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1afd195c83a9bcdcb18917c25d2f5f7051" compoundref="grid__maker_8h" startline="338" endline="345">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1ac95523d244aa12cacec057f7e5712811" compoundref="grid__maker_8h" startline="377" endline="384">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1abd049b5c336260d2448ff1cba930d029" compoundref="grid__maker_8h" startline="563" endline="571">GridMaker::backward_relevance</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9841643c7664f940378c3f1a068b19b4" compoundref="grid__maker_8h" startline="582" endline="590">GridMaker::backward_relevance</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" compoundref="coordinateset_8cpp" startline="231" endline="243">CoordinateSet::dump</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="71" endline="102">Example::merge_coordinates</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1ab6edf84f5519b886ea22a9c44aef3ff5" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool has_vector_types</definition>
         <argsstring>() const</argsstring>
         <name>has_vector_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::has_vector_types</qualifiedname>
         <briefdescription>
 <para>return true if vector types are available (or no atoms) </para>
         </briefdescription>
@@ -543,18 +651,22 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="84" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="84" bodyend="84"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="315" endline="322">GridMaker::backward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="509" endline="520">GridMaker::backward_gradients</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="87" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="87" bodyend="87"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af08f43a3ae58eb252a6d1faafeb4827a" compoundref="grid__maker_8h" startline="319" endline="326">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a0fd82f69452e435af714f1333e88dcd1" compoundref="grid__maker_8h" startline="358" endline="365">GridMaker::backward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aa84965150fcdef1913fdc8a2c9d59e39" compoundref="grid__maker_8h" startline="513" endline="524">GridMaker::backward_gradients</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a9a8f55a322c422a1d1328fd518e03af4" compoundref="grid__maker_8h" startline="540" endline="551">GridMaker::backward_gradients</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="309">CoordinateSet::mergeInto</referencedby>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" compoundref="coordinateset_8cpp" startline="263" endline="310">CoordinateSet::mergeInto</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
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       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a0e5b397d8ab22663778fe8cf1d47f3d7" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void make_vector_types</definition>
         <argsstring>(bool include_dummy_type=false, const std::vector&lt; float &gt; &amp;type_radii=std::vector&lt; float &gt;())</argsstring>
         <name>make_vector_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::make_vector_types</qualifiedname>
         <param>
           <type>bool</type>
           <declname>include_dummy_type</declname>
@@ -590,14 +702,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="91" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="187" bodyend="212"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="94" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="187" bodyend="212"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>unsigned</type>
         <definition>unsigned num_types</definition>
         <argsstring>() const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::num_types</qualifiedname>
         <briefdescription>
 <para>return number of types </para>
         </briefdescription>
@@ -605,14 +718,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="94" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="94" bodyend="94"/>
-        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="351" endline="373">CoordinateSet::sum_types</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="97" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="97" bodyend="97"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" compoundref="coordinateset_8cpp" startline="352" endline="374">CoordinateSet::sum_types</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void set_num_types</definition>
         <argsstring>(unsigned maxt)</argsstring>
         <name>set_num_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::set_num_types</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>maxt</declname>
@@ -624,13 +738,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="97" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="97" bodyend="97"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="100" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="100" bodyend="100"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1aa9fc4f9f4863682959d5b4df0259546a" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void sum_types</definition>
         <argsstring>(Grid&lt; float, 1, false &gt; &amp;sum, bool zerofirst=true) const</argsstring>
         <name>sum_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::sum_types</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 1, false &gt; &amp;</type>
           <declname>sum</declname>
@@ -647,13 +762,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="100" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="351" bodyend="373"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="103" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="352" bodyend="374"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1abdefa3470ca1e88655974b3f462e2c4a" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void sum_types</definition>
         <argsstring>(Grid&lt; float, 1, true &gt; &amp;sum, bool zerofirst=true) const</argsstring>
         <name>sum_types</name>
+        <qualifiedname>libmolgrid::CoordinateSet::sum_types</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 1, true &gt; &amp;</type>
           <declname>sum</declname>
@@ -669,13 +785,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="101" column="8"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="104" column="8"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>unsigned</type>
         <definition>unsigned size</definition>
         <argsstring>() const</argsstring>
         <name>size</name>
+        <qualifiedname>libmolgrid::CoordinateSet::size</qualifiedname>
         <briefdescription>
 <para>number of atoms </para>
         </briefdescription>
@@ -683,15 +800,19 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="104" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="104" bodyend="104"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="107" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="107" bodyend="107"/>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1ac421c7c6c868e29caf32fd65ae4ac8f2" compoundref="coordinateset_8cpp" startline="97" endline="113">CoordinateSet::CoordinateSet</referencedby>
+        <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a4c5326fdb5f7070c0e9eff34a793ad63" compoundref="coordinateset_8cpp" startline="75" endline="94">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0d12f64812a930fd456f29565d3a2a6f" compoundref="coordinateset_8cpp" startline="137" endline="158">CoordinateSet::CoordinateSet</referencedby>
         <referencedby refid="classlibmolgrid_1_1GridMaker_1aeffc1b17fc2a5f03d097fb89cbccba94" compoundref="grid__maker_8h" startline="132" endline="138">GridMaker::forward</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a236f4b0ade95b677e2643336868a9fd0" compoundref="grid__maker_8h" startline="147" endline="153">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
-        <type>float3</type>
+        <type><ref refid="structfloat3" kindref="compound">float3</ref></type>
         <definition>float3 center</definition>
         <argsstring>() const</argsstring>
         <name>center</name>
+        <qualifiedname>libmolgrid::CoordinateSet::center</qualifiedname>
         <briefdescription>
 <para>return mean of coordinates </para>
         </briefdescription>
@@ -699,13 +820,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="107" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="214" bodyend="229"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="110" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="214" bodyend="229"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a86d0fc4270857cba42078a81e98f3596" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void togpu</definition>
         <argsstring>(bool copy=true)</argsstring>
         <name>togpu</name>
+        <qualifiedname>libmolgrid::CoordinateSet::togpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>copy</declname>
@@ -717,14 +839,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="109" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="109" bodyend="109"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="112" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="112" bodyend="112"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a9fa092e067d02308ff2927831ea64d6a" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void tocpu</definition>
         <argsstring>(bool copy=true)</argsstring>
         <name>tocpu</name>
+        <qualifiedname>libmolgrid::CoordinateSet::tocpu</qualifiedname>
         <param>
           <type>bool</type>
           <declname>copy</declname>
@@ -736,15 +859,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="110" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="110" bodyend="110"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="113" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="113" bodyend="113"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool operator==</definition>
         <argsstring>(const CoordinateSet &amp;rhs) const</argsstring>
         <name>operator==</name>
+        <qualifiedname>libmolgrid::CoordinateSet::operator==</qualifiedname>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref> &amp;</type>
           <declname>rhs</declname>
         </param>
         <briefdescription>
@@ -753,13 +877,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="113" column="8" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="113" bodyend="116"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="116" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="116" bodyend="119"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
-        <type><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref></type>
+        <type><ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref></type>
         <definition>CoordinateSet clone</definition>
         <argsstring>() const</argsstring>
         <name>clone</name>
+        <qualifiedname>libmolgrid::CoordinateSet::clone</qualifiedname>
         <briefdescription>
 <para>return deep copy </para>
         </briefdescription>
@@ -767,16 +892,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="119" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="119" bodyend="126"/>
-        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="76" endline="172">CoordCache::set_coords</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="122" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="122" bodyend="129"/>
+        <referencedby refid="classlibmolgrid_1_1CoordCache_1a662441ec29d3f52a26ef98ad723b80a3" compoundref="coord__cache_8cpp" startline="80" endline="176">CoordCache::set_coords</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void size_like</definition>
         <argsstring>(const CoordinateSet &amp;s)</argsstring>
         <name>size_like</name>
+        <qualifiedname>libmolgrid::CoordinateSet::size_like</qualifiedname>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref> &amp;</type>
           <declname>s</declname>
         </param>
         <briefdescription>
@@ -786,7 +912,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="129" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="245" bodyend="250"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="132" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="245" bodyend="250"/>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" compoundref="coordinateset_8cpp" startline="252" endline="261">CoordinateSet::copyInto</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a93fac00245289d84e768314d1e3f361b" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
@@ -794,8 +920,9 @@
         <definition>void copyInto</definition>
         <argsstring>(const CoordinateSet &amp;src)</argsstring>
         <name>copyInto</name>
+        <qualifiedname>libmolgrid::CoordinateSet::copyInto</qualifiedname>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref> &amp;</type>
           <declname>src</declname>
         </param>
         <briefdescription>
@@ -805,19 +932,20 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="132" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="252" bodyend="261"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="135" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="252" bodyend="261"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1ace9805532c7567a89ac854e292a1b980" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void mergeInto</definition>
         <argsstring>(const CoordinateSet &amp;rec, const CoordinateSet &amp;lig, bool unique_index_types=true)</argsstring>
         <name>mergeInto</name>
+        <qualifiedname>libmolgrid::CoordinateSet::mergeInto</qualifiedname>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref> &amp;</type>
           <declname>rec</declname>
         </param>
         <param>
-          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &amp;</type>
+          <type>const <ref refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" kindref="member">CoordinateSet</ref> &amp;</type>
           <declname>lig</declname>
         </param>
         <param>
@@ -832,7 +960,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="135" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="263" bodyend="309"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="138" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="263" bodyend="310"/>
         <referencedby refid="structlibmolgrid_1_1CoordinateSet_1a0e160c086e322f69de24be62aa91f265" compoundref="coordinateset_8cpp" startline="176" endline="183">CoordinateSet::CoordinateSet</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1a277bc85222ba9a7d0fd47fd10d44d115" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
@@ -840,6 +968,7 @@
         <definition>void dump</definition>
         <argsstring>(std::ostream &amp;out) const</argsstring>
         <name>dump</name>
+        <qualifiedname>libmolgrid::CoordinateSet::dump</qualifiedname>
         <param>
           <type>std::ostream &amp;</type>
           <declname>out</declname>
@@ -851,17 +980,45 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="138" column="8" bodyfile="/home/dkoes/git/libmolgrid/src/coordinateset.cpp" bodystart="231" bodyend="243"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="141" column="8" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/coordinateset.cpp" bodystart="231" bodyend="243"/>
+      </memberdef>
+      <memberdef kind="function" id="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
+        <templateparamlist>
+          <param>
+            <type>class Archive</type>
+          </param>
+        </templateparamlist>
+        <type>void</type>
+        <definition>void serialize</definition>
+        <argsstring>(Archive &amp;ar, const unsigned version)</argsstring>
+        <name>serialize</name>
+        <qualifiedname>libmolgrid::CoordinateSet::serialize</qualifiedname>
+        <param>
+          <type>Archive &amp;</type>
+          <declname>ar</declname>
+        </param>
+        <param>
+          <type>const unsigned</type>
+          <declname>version</declname>
+        </param>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="144" column="20" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="144" bodyend="164"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>A collection of typed atomic coordinates. </para>
     </briefdescription>
     <detaileddescription>
 <para>Types may be specified either as an index or a dense vector. Typically, only one type formated will be initialized although a vector one-hot encoding of an index type can be created. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" line="29" column="20" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="29" bodyend="139"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" line="32" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/coordinateset.h" bodystart="32" bodyend="165"/>
     <listofallmembers>
+      <member refid="structlibmolgrid_1_1CoordinateSet_1ac98d07dd8f7b70e16ccb9a01abf56b9c" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>boost::serialization::access</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a437464eaf145c5829daa0cbb90c95dee" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>center</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a19ad80288a826f7bbcbcd8d100c3587a" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>clone</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a88ee45d03f006fde3921e9bb55d1d600" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>CoordinateSet</name></member>
@@ -888,6 +1045,7 @@
       <member refid="structlibmolgrid_1_1CoordinateSet_1a5e84ac0f1e5fbb3fd24d137b02de0a3f" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>num_types</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a3407f177ad82eececcc71584fa62e0b8" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>operator==</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1aa9e99857d75e6127d4ea0d461d6b4e77" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>radii</name></member>
+      <member refid="structlibmolgrid_1_1CoordinateSet_1adb374cca8571472fe328980b7a609352" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>serialize</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a9089849cf94e065c175238376bf18acc" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>set_num_types</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a126a73e6d140f9e2a7b795c20fa42f70" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>size</name></member>
       <member refid="structlibmolgrid_1_1CoordinateSet_1a21abd5ed9a14048e25427e92766cf133" prot="public" virt="non-virtual"><scope>libmolgrid::CoordinateSet</scope><name>size_like</name></member>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1Example.xml b/docs/cpp/xml/structlibmolgrid_1_1Example.xml
index 2fcadbb7..ad28df2b 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1Example.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1Example.xml
@@ -1,49 +1,62 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1Example" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::Example</compoundname>
     <includes refid="example_8h" local="no">example.h</includes>
-      <sectiondef kind="public-attrib">
+    <sectiondef kind="public-attrib">
       <memberdef kind="variable" id="structlibmolgrid_1_1Example_1a3034c08e7d9765b2f120d44d49d33927" prot="public" static="no" mutable="no">
         <type>std::vector&lt; <ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref> &gt;</type>
         <definition>std::vector&lt;CoordinateSet&gt; sets</definition>
         <argsstring></argsstring>
         <name>sets</name>
+        <qualifiedname>libmolgrid::Example::sets</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="63" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="63" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="64" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="64" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" compoundref="grid__maker_8cpp" startline="163" endline="178">GridMaker::forward</referencedby>
         <referencedby refid="classlibmolgrid_1_1Transform_1a0a9ab0c16c128621044b64543e87806b" compoundref="transform_8cpp" startline="35" endline="43">Transform::forward</referencedby>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1a828a9cde89c68646dbc222bfc3046c74" compoundref="grid__maker_8cpp" startline="126" endline="141">GridMaker::forward</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" compoundref="example_8h" startline="139" endline="139">Example::make_vector_types</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" compoundref="example_8h" startline="131" endline="133">Example::operator==</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" compoundref="example_8h" startline="136" endline="136">Example::tocpu</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" compoundref="example_8h" startline="135" endline="135">Example::togpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" compoundref="example_8cpp" startline="241" endline="250">Example::has_index_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" compoundref="example_8cpp" startline="230" endline="239">Example::has_vector_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" compoundref="example_8h" startline="140" endline="140">Example::make_vector_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" compoundref="example_8cpp" startline="198" endline="228">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" compoundref="example_8cpp" startline="20" endline="26">Example::num_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" compoundref="example_8cpp" startline="28" endline="37">Example::num_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" compoundref="example_8h" startline="132" endline="134">Example::operator==</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="363" endline="382">Example::sum_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" compoundref="example_8h" startline="137" endline="137">Example::tocpu</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" compoundref="example_8h" startline="136" endline="136">Example::togpu</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1Example_1a7ea04b60c00847d97627bc44a0a6b2f2" prot="public" static="no" mutable="no">
         <type>std::vector&lt; float &gt;</type>
         <definition>std::vector&lt;float&gt; labels</definition>
         <argsstring></argsstring>
         <name>labels</name>
+        <qualifiedname>libmolgrid::Example::labels</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="64" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="64" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
-        <referencedby refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" compoundref="example_8h" startline="131" endline="133">Example::operator==</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="65" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="65" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" compoundref="example_8cpp" startline="279" endline="301">Example::extract_label</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" compoundref="example_8cpp" startline="253" endline="272">Example::extract_labels</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" compoundref="example_8h" startline="132" endline="134">Example::operator==</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1Example_1a0242027ec3331f3d5793c42d21b6f4e1" prot="public" static="no" mutable="no">
         <type>int</type>
         <definition>int group</definition>
         <argsstring></argsstring>
         <name>group</name>
+        <qualifiedname>libmolgrid::Example::group</qualifiedname>
         <initializer>= -1</initializer>
         <briefdescription>
         </briefdescription>
@@ -51,14 +64,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="65" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="65" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="66" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="66" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1Example_1a2d552310ef0a3f6a1daa19e5c84f3168" prot="public" static="no" mutable="no">
         <type>bool</type>
         <definition>bool seqcont</definition>
         <argsstring></argsstring>
         <name>seqcont</name>
+        <qualifiedname>libmolgrid::Example::seqcont</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -66,16 +80,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="66" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="66" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="67" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="67" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a29b5e5fcb7a177c6e0ce80c9423ff231" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t num_coordinates</definition>
         <argsstring>() const</argsstring>
         <name>num_coordinates</name>
+        <qualifiedname>libmolgrid::Example::num_coordinates</qualifiedname>
         <briefdescription>
 <para>for grouped inputs, true if not first member of group </para>
         </briefdescription>
@@ -84,13 +99,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="69" column="12" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="22" bodyend="28"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="70" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="20" bodyend="26"/>
+        <referencedby refid="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" compoundref="example_8cpp" startline="69" endline="100">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a9cdf22c0ea09d46e82c22a9e8c62f7a8" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>size_t</type>
         <definition>size_t num_types</definition>
         <argsstring>(bool unique_index_types=true) const</argsstring>
         <name>num_types</name>
+        <qualifiedname>libmolgrid::Example::num_types</qualifiedname>
         <param>
           <type>bool</type>
           <declname>unique_index_types</declname>
@@ -103,7 +121,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="72" column="12" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="30" bodyend="39"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="73" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="28" bodyend="37"/>
+        <referencedby refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" compoundref="example_8cpp" startline="198" endline="228">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" compoundref="example_8cpp" startline="363" endline="382">Example::sum_types</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1ad1f4b659e53779914a303ad373b7db79" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -117,6 +137,7 @@
         <definition>template void sum_types</definition>
         <argsstring>(Grid&lt; float, 1, isCUDA &gt; &amp;sum, bool unique_types=true) const</argsstring>
         <name>sum_types</name>
+        <qualifiedname>libmolgrid::Example::sum_types</qualifiedname>
         <param>
           <type><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid</ref>&lt; float, 1, isCUDA &gt; &amp;</type>
           <declname>sum</declname>
@@ -133,13 +154,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="76" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="357" bodyend="376"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="77" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="363" bodyend="382"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type><ref refid="structlibmolgrid_1_1CoordinateSet" kindref="compound">CoordinateSet</ref></type>
         <definition>CoordinateSet merge_coordinates</definition>
         <argsstring>(unsigned start=0, bool unique_index_types=true) const</argsstring>
         <name>merge_coordinates</name>
+        <qualifiedname>libmolgrid::Example::merge_coordinates</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>start</declname>
@@ -175,14 +197,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="85" column="19" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="200" bodyend="230"/>
-        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="110" endline="116">GridMaker::forward</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="86" column="19" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="198" bodyend="228"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1aca37b69a1f1f60ca9cc298584e7c2bb7" compoundref="grid__maker_8cpp" startline="147" endline="153">GridMaker::forward</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180" compoundref="example_8cpp" startline="40" endline="67">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" compoundref="example_8cpp" startline="198" endline="228">Example::merge_coordinates</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1aaf8ff3176b68cb7987d5ec8c95612180" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void merge_coordinates</definition>
         <argsstring>(Grid2f &amp;coords, Grid1f &amp;type_index, Grid1f &amp;radii, unsigned start=0, bool unique_index_types=true) const</argsstring>
         <name>merge_coordinates</name>
+        <qualifiedname>libmolgrid::Example::merge_coordinates</qualifiedname>
         <param>
           <type>Grid2f &amp;</type>
           <declname>coords</declname>
@@ -254,15 +279,16 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="96" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="42" bodyend="69"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="97" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="40" bodyend="67"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1aadbf4bff47ee7557c49edcb73e404604" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void merge_coordinates</definition>
         <argsstring>(std::vector&lt; float3 &gt; &amp;coords, std::vector&lt; float &gt; &amp;type_index, std::vector&lt; float &gt; &amp;radii, unsigned start=0, bool unique_index_types=true) const</argsstring>
         <name>merge_coordinates</name>
+        <qualifiedname>libmolgrid::Example::merge_coordinates</qualifiedname>
         <param>
-          <type>std::vector&lt; float3 &gt; &amp;</type>
+          <type>std::vector&lt; <ref refid="structfloat3" kindref="compound">float3</ref> &gt; &amp;</type>
           <declname>coords</declname>
         </param>
         <param>
@@ -289,13 +315,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="97" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="71" bodyend="102"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="98" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="69" bodyend="100"/>
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       <memberdef kind="function" id="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void merge_coordinates</definition>
         <argsstring>(Grid2f &amp;coords, Grid2f &amp;type_vector, Grid1f &amp;radii, unsigned start=0, bool unique_index_types=true) const</argsstring>
         <name>merge_coordinates</name>
+        <qualifiedname>libmolgrid::Example::merge_coordinates</qualifiedname>
         <param>
           <type>Grid2f &amp;</type>
           <declname>coords</declname>
@@ -367,15 +394,17 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="108" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="105" bodyend="138"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="109" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="103" bodyend="136"/>
+        <referencedby refid="structlibmolgrid_1_1Example_1ad44ab023ef81acc53befe9741066de55" compoundref="example_8cpp" startline="103" endline="136">Example::merge_coordinates</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>void</type>
         <definition>void merge_coordinates</definition>
         <argsstring>(std::vector&lt; float3 &gt; &amp;coords, std::vector&lt; std::vector&lt; float &gt; &gt; &amp;type_vector, std::vector&lt; float &gt; &amp;radii, unsigned start=0, bool unique_index_types=true) const</argsstring>
         <name>merge_coordinates</name>
+        <qualifiedname>libmolgrid::Example::merge_coordinates</qualifiedname>
         <param>
-          <type>std::vector&lt; float3 &gt; &amp;</type>
+          <type>std::vector&lt; <ref refid="structfloat3" kindref="compound">float3</ref> &gt; &amp;</type>
           <declname>coords</declname>
         </param>
         <param>
@@ -402,13 +431,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="109" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="140" bodyend="198"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="110" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="138" bodyend="196"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1ab1e5f47c98b8b36379ea2df5e41bc40b" prot="public" static="no" const="yes" explicit="no" inline="yes" virt="non-virtual">
         <type>bool</type>
         <definition>bool operator==</definition>
         <argsstring>(const Example &amp;rhs) const</argsstring>
         <name>operator==</name>
+        <qualifiedname>libmolgrid::Example::operator==</qualifiedname>
         <param>
           <type>const <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &amp;</type>
           <declname>rhs</declname>
@@ -419,39 +449,42 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="131" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="131" bodyend="133"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="132" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="132" bodyend="134"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a8ccac5491a7d8ed2d90302fd8827063d" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void togpu</definition>
         <argsstring>()</argsstring>
         <name>togpu</name>
+        <qualifiedname>libmolgrid::Example::togpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="135" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="135" bodyend="135"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="136" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="136" bodyend="136"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1af49e4585db4da5364523418dc95614ed" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void tocpu</definition>
         <argsstring>()</argsstring>
         <name>tocpu</name>
+        <qualifiedname>libmolgrid::Example::tocpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="136" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="136" bodyend="136"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="137" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="137" bodyend="137"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a36e9b084e04133a39bd8473892702281" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type>void</type>
         <definition>void make_vector_types</definition>
         <argsstring>()</argsstring>
         <name>make_vector_types</name>
+        <qualifiedname>libmolgrid::Example::make_vector_types</qualifiedname>
         <briefdescription>
 <para>Convert coordinate sets to vector types. </para>
         </briefdescription>
@@ -459,48 +492,54 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="139" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="139" bodyend="139"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="140" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="140" bodyend="140"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>bool</type>
         <definition>bool has_vector_types</definition>
         <argsstring>(unsigned start=0) const</argsstring>
         <name>has_vector_types</name>
+        <qualifiedname>libmolgrid::Example::has_vector_types</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>start</declname>
           <defval>0</defval>
         </param>
         <briefdescription>
-<para>Return true if all coord_sets &gt;= start have vector types (or is empty) </para>
+<para>Return true if all coord_sets &gt;= start have vector types (or is empty). </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="142" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="232" bodyend="241"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="143" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="230" bodyend="239"/>
+        <referencedby refid="structlibmolgrid_1_1Example_1a7503b6a47c9b4b6cc834e6a0f8415e26" compoundref="example_8cpp" startline="230" endline="239">Example::has_vector_types</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1aa0927ed6ec846f2a8e7daeb64e39795d" compoundref="example_8cpp" startline="138" endline="196">Example::merge_coordinates</referencedby>
+        <referencedby refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" compoundref="example_8cpp" startline="198" endline="228">Example::merge_coordinates</referencedby>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a2e1844ea21f945bfed11383c4ca32bf0" prot="public" static="no" const="yes" explicit="no" inline="no" virt="non-virtual">
         <type>bool</type>
         <definition>bool has_index_types</definition>
         <argsstring>(unsigned start=0) const</argsstring>
         <name>has_index_types</name>
+        <qualifiedname>libmolgrid::Example::has_index_types</qualifiedname>
         <param>
           <type>unsigned</type>
           <declname>start</declname>
           <defval>0</defval>
         </param>
         <briefdescription>
-<para>Return true if all coord_sets &gt;= start have index types (or is empty) </para>
+<para>Return true if all coord_sets &gt;= start have index types (or is empty). </para>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="145" column="10" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="243" bodyend="252"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="146" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="241" bodyend="250"/>
+        <referencedby refid="structlibmolgrid_1_1Example_1a4fc64e09b5e884185b4dbdc86c2ec67b" compoundref="example_8cpp" startline="198" endline="228">Example::merge_coordinates</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-static-func">
+    </sectiondef>
+    <sectiondef kind="public-static-func">
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
           <param>
@@ -513,6 +552,7 @@
         <definition>template void extract_labels</definition>
         <argsstring>(const std::vector&lt; Example &gt; &amp;examples, Grid&lt; float, 2, isCUDA &gt; &amp;out)</argsstring>
         <name>extract_labels</name>
+        <qualifiedname>libmolgrid::Example::extract_labels</qualifiedname>
         <param>
           <type>const std::vector&lt; <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &gt; &amp;</type>
           <declname>examples</declname>
@@ -546,7 +586,7 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="118" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="255" bodyend="270"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="119" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="253" bodyend="272"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" prot="public" static="yes" const="no" explicit="no" inline="no" virt="non-virtual">
         <templateparamlist>
@@ -560,6 +600,7 @@
         <definition>template void extract_label</definition>
         <argsstring>(const std::vector&lt; Example &gt; &amp;examples, unsigned labelpos, Grid&lt; float, 1, isCUDA &gt; &amp;out)</argsstring>
         <name>extract_label</name>
+        <qualifiedname>libmolgrid::Example::extract_label</qualifiedname>
         <param>
           <type>const std::vector&lt; <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> &gt; &amp;</type>
           <declname>examples</declname>
@@ -605,19 +646,15 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="128" column="17" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="277" bodyend="295"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="129" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="279" bodyend="301"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
-<para>A single example represented by its typed coordinates and label(s) </para>
+<para>A single example represented by its typed coordinates and label(s). </para>
     </briefdescription>
     <detaileddescription>
     </detaileddescription>
     <collaborationgraph>
-      <node id="3">
-        <label>CoordinateSet</label>
-        <link refid="structlibmolgrid_1_1CoordinateSet"/>
-      </node>
       <node id="1">
         <label>Example</label>
         <link refid="structlibmolgrid_1_1Example"/>
@@ -628,17 +665,21 @@
           <edgelabel>labels</edgelabel>
         </childnode>
       </node>
+      <node id="3">
+        <label>CoordinateSet</label>
+        <link refid="structlibmolgrid_1_1CoordinateSet"/>
+      </node>
+      <node id="4">
+        <label>vector&lt; float &gt;</label>
+      </node>
       <node id="2">
         <label>vector&lt; libmolgrid::CoordinateSet &gt;</label>
         <childnode refid="3" relation="usage">
           <edgelabel>elements</edgelabel>
         </childnode>
       </node>
-      <node id="4">
-        <label>vector&lt; float &gt;</label>
-      </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="60" column="14" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="60" bodyend="146"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="61" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="61" bodyend="147"/>
     <listofallmembers>
       <member refid="structlibmolgrid_1_1Example_1abd2622389892168945e6f8d721072e38" prot="public" virt="non-virtual"><scope>libmolgrid::Example</scope><name>extract_label</name></member>
       <member refid="structlibmolgrid_1_1Example_1a000f4bbd3c5453860543c5ad97be617a" prot="public" virt="non-virtual"><scope>libmolgrid::Example</scope><name>extract_labels</name></member>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1ExampleProviderSettings.xml b/docs/cpp/xml/structlibmolgrid_1_1ExampleProviderSettings.xml
index b899c7aa..1d35e27a 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1ExampleProviderSettings.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1ExampleProviderSettings.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1ExampleProviderSettings" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::ExampleProviderSettings</compoundname>
     <includes refid="example_8h" local="no">example.h</includes>
@@ -8,7 +8,7 @@
     <detaileddescription>
 <para>Description of how examples should be provided This provides configuration to example refs, extractors, and the provider itself as a declarative syntax. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="50" column="30" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="50" bodyend="53"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="51" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="51" bodyend="54"/>
     <listofallmembers>
     </listofallmembers>
   </compounddef>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1ExampleRef.xml b/docs/cpp/xml/structlibmolgrid_1_1ExampleRef.xml
index e1723ae9..7de8667a 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1ExampleRef.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1ExampleRef.xml
@@ -1,25 +1,27 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1ExampleRef" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::ExampleRef</compoundname>
     <includes refid="example_8h" local="no">example.h</includes>
-      <sectiondef kind="public-attrib">
+    <sectiondef kind="public-attrib">
       <memberdef kind="variable" id="structlibmolgrid_1_1ExampleRef_1ac821c82ea49c90f2e78434913bfbfa69" prot="public" static="no" mutable="no">
         <type>std::vector&lt; const char * &gt;</type>
         <definition>std::vector&lt;const char*&gt; files</definition>
         <argsstring></argsstring>
         <name>files</name>
+        <qualifiedname>libmolgrid::ExampleRef::files</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="153" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="153" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="154" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="154" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8h" startline="211" endline="224">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::addref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="315" endline="360">ExampleRef::ExampleRef</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" compoundref="example__extractor_8cpp" startline="73" endline="75">ExampleExtractor::num_types</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a92e331dc0874eea72e24fad42efdddc6" compoundref="example__extractor_8cpp" startline="77" endline="79">ExampleExtractor::num_types</referencedby>
         <referencedby refid="classlibmolgrid_1_1ReceptorStratifiedExampleRefProvider_1a4fc01d736fe50cf5b977f755b675f11d" compoundref="exampleref__providers_8cpp" startline="17" endline="46">ReceptorStratifiedExampleRefProvider&lt; Provider, K &gt;::setup</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1ExampleRef_1a7ea04b60c00847d97627bc44a0a6b2f2" prot="public" static="no" mutable="no">
@@ -27,17 +29,19 @@
         <definition>std::vector&lt;float&gt; labels</definition>
         <argsstring></argsstring>
         <name>labels</name>
+        <qualifiedname>libmolgrid::ExampleRef::labels</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="154" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="154" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8cpp" startline="64" endline="68">UniformExampleRefProvider::addref</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="155" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="155" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1BalancedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8cpp" startline="107" endline="117">BalancedExampleRefProvider::addref</referencedby>
+        <referencedby refid="classlibmolgrid_1_1UniformExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8cpp" startline="64" endline="68">UniformExampleRefProvider::addref</referencedby>
         <referencedby refid="classlibmolgrid_1_1ValueStratifiedExampleRefProfider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8h" startline="360" endline="366">ValueStratifiedExampleRefProfider&lt; Provider &gt;::addref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="315" endline="360">ExampleRef::ExampleRef</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1ExampleRef_1a0242027ec3331f3d5793c42d21b6f4e1" prot="public" static="no" mutable="no">
@@ -45,6 +49,7 @@
         <definition>int group</definition>
         <argsstring></argsstring>
         <name>group</name>
+        <qualifiedname>libmolgrid::ExampleRef::group</qualifiedname>
         <initializer>= -1</initializer>
         <briefdescription>
         </briefdescription>
@@ -52,9 +57,10 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="155" column="9" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="155" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="156" column="9" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="156" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1a8b9d408cf4383f3569d23636d5f3e62a" compoundref="exampleref__providers_8h" startline="478" endline="487">GroupedExampleRefProvider&lt; Provider &gt;::addref</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <referencedby refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" compoundref="example_8cpp" startline="315" endline="360">ExampleRef::ExampleRef</referencedby>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1ExampleRef_1a2d552310ef0a3f6a1daa19e5c84f3168" prot="public" static="no" mutable="no">
@@ -62,6 +68,7 @@
         <definition>bool seqcont</definition>
         <argsstring></argsstring>
         <name>seqcont</name>
+        <qualifiedname>libmolgrid::ExampleRef::seqcont</qualifiedname>
         <initializer>= false</initializer>
         <briefdescription>
         </briefdescription>
@@ -69,17 +76,18 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="156" column="10" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="156" bodyend="-1"/>
-        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="52">ExampleExtractor::extract</referencedby>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="157" column="10" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="157" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1ExampleExtractor_1a16688c316082e3c32e65e8c0bb03fe9f" compoundref="example__extractor_8cpp" startline="21" endline="55">ExampleExtractor::extract</referencedby>
         <referencedby refid="classlibmolgrid_1_1GroupedExampleRefProvider_1ae630292b50e44deb19e001f322914934" compoundref="exampleref__providers_8h" startline="505" endline="536">GroupedExampleRefProvider&lt; Provider &gt;::nextref</referencedby>
       </memberdef>
-      </sectiondef>
-      <sectiondef kind="public-func">
+    </sectiondef>
+    <sectiondef kind="public-func">
       <memberdef kind="function" id="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" prot="public" static="no" const="no" explicit="no" inline="yes" virt="non-virtual">
         <type></type>
         <definition>ExampleRef</definition>
         <argsstring>()</argsstring>
         <name>ExampleRef</name>
+        <qualifiedname>libmolgrid::ExampleRef::ExampleRef</qualifiedname>
         <briefdescription>
 <para>true if not first frame of group </para>
         </briefdescription>
@@ -87,13 +95,14 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="158" column="5" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="158" bodyend="158"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="159" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="159" bodyend="159"/>
       </memberdef>
       <memberdef kind="function" id="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" prot="public" static="no" const="no" explicit="no" inline="no" virt="non-virtual">
         <type></type>
         <definition>ExampleRef</definition>
         <argsstring>(const std::string &amp;line, int numlabels, bool hasgroup=false)</argsstring>
         <name>ExampleRef</name>
+        <qualifiedname>libmolgrid::ExampleRef::ExampleRef</qualifiedname>
         <param>
           <type>const std::string &amp;</type>
           <declname>line</declname>
@@ -114,9 +123,9 @@
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="160" column="5" bodyfile="/home/dkoes/git/libmolgrid/src/example.cpp" bodystart="309" bodyend="354"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="161" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/src/example.cpp" bodystart="315" bodyend="360"/>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
 <para>a reference to a single example - the parsed line. This is distinct from an <ref refid="structlibmolgrid_1_1Example" kindref="compound">Example</ref> to enable out-of-core training (although the default should be to load all examples into memory). </para>
     </briefdescription>
@@ -140,7 +149,7 @@
         <label>vector&lt; float &gt;</label>
       </node>
     </collaborationgraph>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" line="152" column="17" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/example.h" bodystart="152" bodyend="161"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" line="153" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/example.h" bodystart="153" bodyend="162"/>
     <listofallmembers>
       <member refid="structlibmolgrid_1_1ExampleRef_1a673e48c4d531cbc1bd304594141eadfc" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleRef</scope><name>ExampleRef</name></member>
       <member refid="structlibmolgrid_1_1ExampleRef_1af68ef87a6eab8ca94bd25484c273a402" prot="public" virt="non-virtual"><scope>libmolgrid::ExampleRef</scope><name>ExampleRef</name></member>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1GninaIndexTyper_1_1info.xml b/docs/cpp/xml/structlibmolgrid_1_1GninaIndexTyper_1_1info.xml
index 20b3437d..6c4eb951 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1GninaIndexTyper_1_1info.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1GninaIndexTyper_1_1info.xml
@@ -1,86 +1,92 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1GninaIndexTyper_1_1info" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::GninaIndexTyper::info</compoundname>
     <includes refid="atom__typer_8h" local="no">atom_typer.h</includes>
-      <sectiondef kind="public-attrib">
+    <sectiondef kind="public-attrib">
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a8d814dd57d2edee2e712cbd86a3127b1" prot="public" static="no" mutable="no">
         <type><ref refid="classlibmolgrid_1_1GninaIndexTyper_1a7aead736a07eaf25623ad7bfa1f0ee2d" kindref="member">type</ref></type>
         <definition>type sm</definition>
         <argsstring></argsstring>
         <name>sm</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::sm</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="160" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="160" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="160" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="160" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1aa70a63947393694475dc198400e22314" prot="public" static="no" mutable="no">
         <type>const char *</type>
         <definition>const char* smina_name</definition>
         <argsstring></argsstring>
         <name>smina_name</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::smina_name</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="161" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="161" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="161" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="161" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a7ca1880f6456c8d72c3efd41b15b48a5" prot="public" static="no" mutable="no">
         <type>const char *</type>
         <definition>const char* adname</definition>
         <argsstring></argsstring>
         <name>adname</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::adname</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="162" column="18" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="162" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="162" column="18" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="162" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ac31cb736bd9681bcba7a596b31e23541" prot="public" static="no" mutable="no">
         <type>unsigned</type>
         <definition>unsigned anum</definition>
         <argsstring></argsstring>
         <name>anum</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::anum</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="163" column="16" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="163" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="163" column="16" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="163" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a2bd81ddcf3b54c451533bb335a5a32a8" prot="public" static="no" mutable="no">
         <type>float</type>
         <definition>float ad_radius</definition>
         <argsstring></argsstring>
         <name>ad_radius</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::ad_radius</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="164" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="164" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="164" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="164" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af504cf271d0020317ec1cf9a219a36aa" prot="public" static="no" mutable="no">
         <type>float</type>
         <definition>float ad_depth</definition>
         <argsstring></argsstring>
         <name>ad_depth</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::ad_depth</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="165" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="165" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="165" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="165" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1af030eefb3668c4bf6c51e0184bc9652f" prot="public" static="no" mutable="no">
@@ -88,13 +94,14 @@
         <definition>float ad_solvation</definition>
         <argsstring></argsstring>
         <name>ad_solvation</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::ad_solvation</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="166" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="166" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="166" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="166" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad47f54e927cd62d42d78ffba9047cf92" prot="public" static="no" mutable="no">
@@ -102,13 +109,14 @@
         <definition>float ad_volume</definition>
         <argsstring></argsstring>
         <name>ad_volume</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::ad_volume</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="167" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="167" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="167" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="167" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1ad193828e93691abcbfe98341671cf90e" prot="public" static="no" mutable="no">
@@ -116,26 +124,28 @@
         <definition>float covalent_radius</definition>
         <argsstring></argsstring>
         <name>covalent_radius</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::covalent_radius</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="168" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="168" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="168" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="168" bodyend="-1"/>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a71b62833de40e93190610ebdd26df937" prot="public" static="no" mutable="no">
         <type>float</type>
         <definition>float xs_radius</definition>
         <argsstring></argsstring>
         <name>xs_radius</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::xs_radius</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="169" column="13" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="169" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="169" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="169" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ad2de174aee1d2d6da3500c728ee71e23" compoundref="atom__typer_8cpp" startline="395" endline="402">GninaVectorTyper::get_vector_type_radii</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a3c8ad373784fcd045ca46a59b0672a62" prot="public" static="no" mutable="no">
@@ -143,13 +153,14 @@
         <definition>bool xs_hydrophobe</definition>
         <argsstring></argsstring>
         <name>xs_hydrophobe</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::xs_hydrophobe</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="170" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="170" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="170" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="170" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a4d6140923dcfe9e59fe1355ecd106bd1" prot="public" static="no" mutable="no">
@@ -157,13 +168,14 @@
         <definition>bool xs_donor</definition>
         <argsstring></argsstring>
         <name>xs_donor</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::xs_donor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="171" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="171" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="171" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="171" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a63abb2440710ff892d3e7d1e73607f66" prot="public" static="no" mutable="no">
@@ -171,13 +183,14 @@
         <definition>bool xs_acceptor</definition>
         <argsstring></argsstring>
         <name>xs_acceptor</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::xs_acceptor</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="172" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="172" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="172" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="172" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
       <memberdef kind="variable" id="structlibmolgrid_1_1GninaIndexTyper_1_1info_1a1545b973b3b84e111b5983a51e0eec7e" prot="public" static="no" mutable="no">
@@ -185,22 +198,23 @@
         <definition>bool ad_heteroatom</definition>
         <argsstring></argsstring>
         <name>ad_heteroatom</name>
+        <qualifiedname>libmolgrid::GninaIndexTyper::info::ad_heteroatom</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
         </inbodydescription>
-        <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="173" column="12" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="173" bodyend="-1"/>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="173" column="12" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="173" bodyend="-1"/>
         <referencedby refid="classlibmolgrid_1_1GninaVectorTyper_1ae665f55a8d914fa0d36e469284e2443d" compoundref="atom__typer_8cpp" startline="303" endline="392">GninaVectorTyper::get_atom_type_vector</referencedby>
       </memberdef>
-      </sectiondef>
+    </sectiondef>
     <briefdescription>
     </briefdescription>
     <detaileddescription>
 <para>Information for an atom type. This includes many legacy fields. </para>
     </detaileddescription>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" line="159" column="1" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="158" bodyend="174"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" line="158" column="5" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/atom_typer.h" bodystart="159" bodyend="174"/>
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diff --git a/docs/cpp/xml/structlibmolgrid_1_1GridDesc.xml b/docs/cpp/xml/structlibmolgrid_1_1GridDesc.xml
new file mode 100644
index 00000000..e7a7db2a
--- /dev/null
+++ b/docs/cpp/xml/structlibmolgrid_1_1GridDesc.xml
@@ -0,0 +1,76 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structlibmolgrid_1_1GridDesc" kind="struct" language="C++" prot="public">
+    <compoundname>libmolgrid::GridDesc</compoundname>
+    <includes refid="metal__context_8h" local="no">metal_context.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structlibmolgrid_1_1GridDesc_1a7feefe7e22efd624e1da84c82e6f87a5" prot="public" static="no" mutable="no">
+        <type>unsigned long long</type>
+        <definition>unsigned long long ptr</definition>
+        <argsstring></argsstring>
+        <name>ptr</name>
+        <qualifiedname>libmolgrid::GridDesc::ptr</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="43" column="24" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="43" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structlibmolgrid_1_1GridDesc_1a3363690fae3830a143379aa6c835a20c" prot="public" static="no" mutable="no">
+        <type>unsigned</type>
+        <definition>unsigned dim[5]</definition>
+        <argsstring>[5]</argsstring>
+        <name>dim</name>
+        <qualifiedname>libmolgrid::GridDesc::dim</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="44" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="44" bodyend="-1"/>
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+      <memberdef kind="variable" id="structlibmolgrid_1_1GridDesc_1a0e30e5b31f45abcf7be8a77dd750795c" prot="public" static="no" mutable="no">
+        <type>unsigned</type>
+        <definition>unsigned off[5]</definition>
+        <argsstring>[5]</argsstring>
+        <name>off</name>
+        <qualifiedname>libmolgrid::GridDesc::off</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="45" column="14" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="45" bodyend="-1"/>
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+        <type>unsigned</type>
+        <definition>unsigned ndim</definition>
+        <argsstring></argsstring>
+        <name>ndim</name>
+        <qualifiedname>libmolgrid::GridDesc::ndim</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+      <member refid="structlibmolgrid_1_1GridDesc_1a0e30e5b31f45abcf7be8a77dd750795c" prot="public" virt="non-virtual"><scope>libmolgrid::GridDesc</scope><name>off</name></member>
+      <member refid="structlibmolgrid_1_1GridDesc_1a7feefe7e22efd624e1da84c82e6f87a5" prot="public" virt="non-virtual"><scope>libmolgrid::GridDesc</scope><name>ptr</name></member>
+    </listofallmembers>
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+</doxygen>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1GridMakerParams.xml b/docs/cpp/xml/structlibmolgrid_1_1GridMakerParams.xml
new file mode 100644
index 00000000..1c8324d3
--- /dev/null
+++ b/docs/cpp/xml/structlibmolgrid_1_1GridMakerParams.xml
@@ -0,0 +1,211 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structlibmolgrid_1_1GridMakerParams" kind="struct" language="C++" prot="public">
+    <compoundname>libmolgrid::GridMakerParams</compoundname>
+    <includes refid="metal__context_8h" local="no">metal_context.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1a4333d786c60465d20826583358b2798d" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float resolution</definition>
+        <argsstring></argsstring>
+        <name>resolution</name>
+        <qualifiedname>libmolgrid::GridMakerParams::resolution</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="24" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="24" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1a89e0bef89186145cd5f5a1d2d1ab3b15" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float dimension</definition>
+        <argsstring></argsstring>
+        <name>dimension</name>
+        <qualifiedname>libmolgrid::GridMakerParams::dimension</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="25" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="25" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1a274d43680ceffb680b2edcf6fd36dd22" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float radius_scale</definition>
+        <argsstring></argsstring>
+        <name>radius_scale</name>
+        <qualifiedname>libmolgrid::GridMakerParams::radius_scale</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="26" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="26" bodyend="-1"/>
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+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1a742dd8c218dd065c02d905dd69649d81" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float gaussian_radius_multiple</definition>
+        <argsstring></argsstring>
+        <name>gaussian_radius_multiple</name>
+        <qualifiedname>libmolgrid::GridMakerParams::gaussian_radius_multiple</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="27" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="27" bodyend="-1"/>
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+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1a780e58b160ad2d376bbd4df1dfa59ae5" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float final_radius_multiple</definition>
+        <argsstring></argsstring>
+        <name>final_radius_multiple</name>
+        <qualifiedname>libmolgrid::GridMakerParams::final_radius_multiple</qualifiedname>
+        <briefdescription>
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+        <detaileddescription>
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+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="28" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="28" bodyend="-1"/>
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+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1ad0fae016647bf6b083c331ca152b50e1" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float A</definition>
+        <argsstring></argsstring>
+        <name>A</name>
+        <qualifiedname>libmolgrid::GridMakerParams::A</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+        <inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="29" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="29" bodyend="-1"/>
+      </memberdef>
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+        <type>float</type>
+        <definition>float B</definition>
+        <argsstring></argsstring>
+        <name>B</name>
+        <qualifiedname>libmolgrid::GridMakerParams::B</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="29" column="13" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="29" bodyend="-1"/>
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+      <memberdef kind="variable" id="structlibmolgrid_1_1GridMakerParams_1ad12b105c602c51bd04d7763f600688cc" prot="public" static="no" mutable="no">
+        <type>float</type>
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+        <argsstring></argsstring>
+        <name>C</name>
+        <qualifiedname>libmolgrid::GridMakerParams::C</qualifiedname>
+        <briefdescription>
+        </briefdescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="29" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="29" bodyend="-1"/>
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+        <type>float</type>
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+        <argsstring></argsstring>
+        <name>D</name>
+        <qualifiedname>libmolgrid::GridMakerParams::D</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+        <qualifiedname>libmolgrid::GridMakerParams::E</qualifiedname>
+        <briefdescription>
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+        <type>unsigned</type>
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+        <name>dim</name>
+        <qualifiedname>libmolgrid::GridMakerParams::dim</qualifiedname>
+        <briefdescription>
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+        <qualifiedname>libmolgrid::GridMakerParams::binary</qualifiedname>
+        <briefdescription>
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+        <definition>int radii_type_indexed</definition>
+        <argsstring></argsstring>
+        <name>radii_type_indexed</name>
+        <qualifiedname>libmolgrid::GridMakerParams::radii_type_indexed</qualifiedname>
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diff --git a/docs/cpp/xml/structlibmolgrid_1_1QuatParams.xml b/docs/cpp/xml/structlibmolgrid_1_1QuatParams.xml
new file mode 100644
index 00000000..d6dfca62
--- /dev/null
+++ b/docs/cpp/xml/structlibmolgrid_1_1QuatParams.xml
@@ -0,0 +1,76 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structlibmolgrid_1_1QuatParams" kind="struct" language="C++" prot="public">
+    <compoundname>libmolgrid::QuatParams</compoundname>
+    <includes refid="metal__context_8h" local="no">metal_context.h</includes>
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+        <definition>float a</definition>
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+        <qualifiedname>libmolgrid::QuatParams::a</qualifiedname>
+        <briefdescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="38" column="11" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="38" bodyend="-1"/>
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+        <qualifiedname>libmolgrid::QuatParams::b</qualifiedname>
+        <briefdescription>
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+        <qualifiedname>libmolgrid::QuatParams::c</qualifiedname>
+        <briefdescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="38" column="15" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="38" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structlibmolgrid_1_1QuatParams_1a3fbbd8a3959e76a2bc3455d3bade52dc" prot="public" static="no" mutable="no">
+        <type>float</type>
+        <definition>float d</definition>
+        <argsstring></argsstring>
+        <name>d</name>
+        <qualifiedname>libmolgrid::QuatParams::d</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="38" column="17" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="38" bodyend="-1"/>
+      </memberdef>
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+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" line="37" column="1" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/metal_context.h" bodystart="37" bodyend="39"/>
+    <listofallmembers>
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+      <member refid="structlibmolgrid_1_1QuatParams_1a83fc1af92e29717b4513d121b0c72c7d" prot="public" virt="non-virtual"><scope>libmolgrid::QuatParams</scope><name>b</name></member>
+      <member refid="structlibmolgrid_1_1QuatParams_1ae78103ab33f03590e84ff7bc735629d7" prot="public" virt="non-virtual"><scope>libmolgrid::QuatParams</scope><name>c</name></member>
+      <member refid="structlibmolgrid_1_1QuatParams_1a3fbbd8a3959e76a2bc3455d3bade52dc" prot="public" virt="non-virtual"><scope>libmolgrid::QuatParams</scope><name>d</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/structlibmolgrid_1_1mgrid__buffer__data.xml b/docs/cpp/xml/structlibmolgrid_1_1mgrid__buffer__data.xml
index b895d4ab..3ef5e9c7 100644
--- a/docs/cpp/xml/structlibmolgrid_1_1mgrid__buffer__data.xml
+++ b/docs/cpp/xml/structlibmolgrid_1_1mgrid__buffer__data.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="structlibmolgrid_1_1mgrid__buffer__data" kind="struct" language="C++" prot="public">
     <compoundname>libmolgrid::mgrid_buffer_data</compoundname>
     <includes refid="managed__grid_8h" local="no">managed_grid.h</includes>
@@ -8,54 +8,29 @@
         <type>typename Dtype</type>
       </param>
     </templateparamlist>
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-      <memberdef kind="variable" id="structlibmolgrid_1_1mgrid__buffer__data_1adf32db11f40e4262951eabf20cf264a8" prot="public" static="no" mutable="no">
-        <type>Dtype *</type>
-        <definition>Dtype* gpu_ptr</definition>
-        <argsstring></argsstring>
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-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a354afea429c9572094ac2c5c5ed19786" compoundref="managed__grid_8h" startline="64" endline="75">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_cpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1aad5407e977e2f417b18ed54a0cf7730c" compoundref="managed__grid_8h" startline="78" endline="91">ManagedGridBase&lt; Dtype, 1 &gt;::alloc_and_set_gpu</referencedby>
-        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="103" endline="120">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
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-      </memberdef>
+    <sectiondef kind="public-attrib">
       <memberdef kind="variable" id="structlibmolgrid_1_1mgrid__buffer__data_1a8b2dea69bfa574c3fc5c573f37c9ec1e" prot="public" static="no" mutable="no">
         <type>bool</type>
         <definition>bool sent_to_gpu</definition>
         <argsstring></argsstring>
         <name>sent_to_gpu</name>
+        <qualifiedname>libmolgrid::mgrid_buffer_data::sent_to_gpu</qualifiedname>
         <briefdescription>
         </briefdescription>
         <detaileddescription>
         </detaileddescription>
         <inbodydescription>
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+        <referencedby refid="classlibmolgrid_1_1ManagedGridBase_1a3ab3abfca1447e4fc0874c00c47aadff" compoundref="managed__grid_8h" startline="124" endline="142">ManagedGridBase&lt; Dtype, 1 &gt;::clone_ptrs</referencedby>
       </memberdef>
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     </briefdescription>
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-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" line="24" column="24" bodyfile="/home/dkoes/git/libmolgrid/include/libmolgrid/managed_grid.h" bodystart="24" bodyend="27"/>
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diff --git a/docs/cpp/xml/structuint2.xml b/docs/cpp/xml/structuint2.xml
new file mode 100644
index 00000000..a3c3d650
--- /dev/null
+++ b/docs/cpp/xml/structuint2.xml
@@ -0,0 +1,48 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structuint2" kind="struct" language="C++" prot="public">
+    <compoundname>uint2</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" prot="public" static="no" mutable="no">
+        <type>unsigned int</type>
+        <definition>unsigned int x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>uint2::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="37" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="37" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" compoundref="grid__maker_8cpp" startline="755" endline="763">GridMaker::get_bounds_1d</referencedby>
+      </memberdef>
+      <memberdef kind="variable" id="structuint2_1ac30de26db5f6d1c18c63913729adca7d" prot="public" static="no" mutable="no">
+        <type>unsigned int</type>
+        <definition>unsigned int y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>uint2::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
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+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="37" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="37" bodyend="-1"/>
+        <referencedby refid="classlibmolgrid_1_1GridMaker_1af34459063dd2de96d0e68071a9d04334" compoundref="grid__maker_8cpp" startline="755" endline="763">GridMaker::get_bounds_1d</referencedby>
+      </memberdef>
+    </sectiondef>
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+    </briefdescription>
+    <detaileddescription>
+    </detaileddescription>
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+    <listofallmembers>
+      <member refid="structuint2_1a676e0da0ef83bbbdf42538e54b97506b" prot="public" virt="non-virtual"><scope>uint2</scope><name>x</name></member>
+      <member refid="structuint2_1ac30de26db5f6d1c18c63913729adca7d" prot="public" virt="non-virtual"><scope>uint2</scope><name>y</name></member>
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+</doxygen>
diff --git a/docs/cpp/xml/structuint3.xml b/docs/cpp/xml/structuint3.xml
new file mode 100644
index 00000000..66a1d137
--- /dev/null
+++ b/docs/cpp/xml/structuint3.xml
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='UTF-8' standalone='no'?>
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
+  <compounddef id="structuint3" kind="struct" language="C++" prot="public">
+    <compoundname>uint3</compoundname>
+    <includes refid="common_8h" local="no">common.h</includes>
+    <sectiondef kind="public-attrib">
+      <memberdef kind="variable" id="structuint3_1a676e0da0ef83bbbdf42538e54b97506b" prot="public" static="no" mutable="no">
+        <type>unsigned int</type>
+        <definition>unsigned int x</definition>
+        <argsstring></argsstring>
+        <name>x</name>
+        <qualifiedname>uint3::x</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="38" column="25" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="38" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structuint3_1ac30de26db5f6d1c18c63913729adca7d" prot="public" static="no" mutable="no">
+        <type>unsigned int</type>
+        <definition>unsigned int y</definition>
+        <argsstring></argsstring>
+        <name>y</name>
+        <qualifiedname>uint3::y</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
+        </detaileddescription>
+        <inbodydescription>
+        </inbodydescription>
+        <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" line="38" column="27" bodyfile="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/common.h" bodystart="38" bodyend="-1"/>
+      </memberdef>
+      <memberdef kind="variable" id="structuint3_1a3d99b005d0fb73033dce14d4a135d01f" prot="public" static="no" mutable="no">
+        <type>unsigned int</type>
+        <definition>unsigned int z</definition>
+        <argsstring></argsstring>
+        <name>z</name>
+        <qualifiedname>uint3::z</qualifiedname>
+        <briefdescription>
+        </briefdescription>
+        <detaileddescription>
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+    <listofallmembers>
+      <member refid="structuint3_1a676e0da0ef83bbbdf42538e54b97506b" prot="public" virt="non-virtual"><scope>uint3</scope><name>x</name></member>
+      <member refid="structuint3_1ac30de26db5f6d1c18c63913729adca7d" prot="public" virt="non-virtual"><scope>uint3</scope><name>y</name></member>
+      <member refid="structuint3_1a3d99b005d0fb73033dce14d4a135d01f" prot="public" virt="non-virtual"><scope>uint3</scope><name>z</name></member>
+    </listofallmembers>
+  </compounddef>
+</doxygen>
diff --git a/docs/cpp/xml/transform_8cpp.xml b/docs/cpp/xml/transform_8cpp.xml
index 362b11a4..7e056c00 100644
--- a/docs/cpp/xml/transform_8cpp.xml
+++ b/docs/cpp/xml/transform_8cpp.xml
@@ -1,159 +1,196 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="transform_8cpp" kind="file" language="C++">
     <compoundname>transform.cpp</compoundname>
     <includes refid="transform_8h" local="yes">libmolgrid/transform.h</includes>
     <incdepgraph>
-      <node id="19">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="20" relation="include">
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+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
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         </childnode>
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         </childnode>
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         </childnode>
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-        <label>boost/lexical_cast.hpp</label>
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         <childnode refid="11" relation="include">
         </childnode>
         <childnode refid="12" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
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+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
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         </childnode>
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         </childnode>
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         </childnode>
       </node>
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-      </node>
-      <node id="20">
-        <label>vector</label>
-      </node>
-      <node id="25">
-        <label>utility</label>
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+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="19" relation="include">
+        </childnode>
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+        </childnode>
+        <childnode refid="21" relation="include">
+        </childnode>
+        <childnode refid="29" relation="include">
+        </childnode>
       </node>
       <node id="14">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
         <childnode refid="15" relation="include">
         </childnode>
         <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
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-        <childnode refid="18" relation="include">
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-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-        <childnode refid="2" relation="include">
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         </childnode>
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-      <node id="6">
-        <label>iostream</label>
-      </node>
-      <node id="2">
-        <label>libmolgrid/transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="3" relation="include">
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         </childnode>
         <childnode refid="4" relation="include">
         </childnode>
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         <childnode refid="5" relation="include">
         </childnode>
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+        <label>libmolgrid/libmolgrid.h</label>
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         </childnode>
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         <link refid="managed__grid_8h"/>
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-        </childnode>
         <childnode refid="25" relation="include">
         </childnode>
+        <childnode refid="9" relation="include">
+        </childnode>
+        <childnode refid="26" relation="include">
+        </childnode>
         <childnode refid="7" relation="include">
         </childnode>
-        <childnode refid="10" relation="include">
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
+        <childnode refid="14" relation="include">
         </childnode>
       </node>
-      <node id="11">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="9">
+      <node id="13">
         <label>libmolgrid/quaternion.h</label>
         <link refid="quaternion_8h"/>
         <childnode refid="8" relation="include">
         </childnode>
       </node>
-      <node id="5">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
+      <node id="29">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="11" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+      </node>
+      <node id="2">
+        <label>libmolgrid/transform.h</label>
+        <link refid="transform_8h"/>
         <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+        <childnode refid="13" relation="include">
         </childnode>
-      </node>
-      <node id="16">
-        <label>cstring</label>
-      </node>
-      <node id="22">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="20" relation="include">
+        <childnode refid="14" relation="include">
         </childnode>
-        <childnode refid="23" relation="include">
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="24" relation="include">
+      </node>
+      <node id="1">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
+        <childnode refid="2" relation="include">
         </childnode>
       </node>
+      <node id="7">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
       <node id="15">
+        <label>boost/multi_array.hpp</label>
+      </node>
+      <node id="16">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="23">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="28">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="27">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="17">
+        <label>cassert</label>
+      </node>
+      <node id="25">
+        <label>cstdlib</label>
+      </node>
+      <node id="10">
+        <label>cstring</label>
+      </node>
+      <node id="6">
+        <label>iostream</label>
+      </node>
+      <node id="12">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="9">
         <label>memory</label>
       </node>
+      <node id="22">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="3">
+        <label>random</label>
+      </node>
+      <node id="4">
+        <label>stdexcept</label>
+      </node>
+      <node id="11">
+        <label>string</label>
+      </node>
+      <node id="20">
+        <label>unordered_set</label>
+      </node>
+      <node id="26">
+        <label>utility</label>
+      </node>
+      <node id="19">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
     <briefdescription>
@@ -173,7 +210,7 @@
 <codeline lineno="10"><highlight class="normal"></highlight></codeline>
 <codeline lineno="11"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="12"><highlight class="normal"></highlight></codeline>
-<codeline lineno="13" refid="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform::Transform</ref>(float3<sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translate<sp/></highlight><highlight class="comment">/*=<sp/>0.0*/</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotate<sp/></highlight><highlight class="comment">/*=<sp/>false*/</highlight><highlight class="normal">):<sp/>center(c)<sp/>{</highlight></codeline>
+<codeline lineno="13" refid="classlibmolgrid_1_1Transform_1a0efff6c41e09c88c91cb11d281e1b1ed" refkind="member"><highlight class="normal"><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform::Transform</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translate<sp/></highlight><highlight class="comment">/*=<sp/>0.0*/</highlight><highlight class="normal">,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotate<sp/></highlight><highlight class="comment">/*=<sp/>false*/</highlight><highlight class="normal">):<sp/>center(c)<sp/>{</highlight></codeline>
 <codeline lineno="14"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>std::uniform_real_distribution&lt;double&gt;<sp/>R(-1.0,1);</highlight></codeline>
 <codeline lineno="15"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>translate.x<sp/>=<sp/>R(<ref refid="namespacelibmolgrid_1a637541cee6c830dbabb26498f6c91249" kindref="member">random_engine</ref>)*random_translate;</highlight></codeline>
 <codeline lineno="16"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>translate.y<sp/>=<sp/>R(<ref refid="namespacelibmolgrid_1a637541cee6c830dbabb26498f6c91249" kindref="member">random_engine</ref>)*random_translate;</highlight></codeline>
@@ -228,16 +265,16 @@
 <codeline lineno="65"><highlight class="normal"><sp/><sp/><sp/><sp/>y<sp/>=<sp/>in(i,1);</highlight></codeline>
 <codeline lineno="66"><highlight class="normal"><sp/><sp/><sp/><sp/>z<sp/>=<sp/>in(i,2);</highlight></codeline>
 <codeline lineno="67"><highlight class="normal"></highlight></codeline>
-<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>newpt<sp/>=<sp/>make_float3(0,0,0);</highlight></codeline>
+<codeline lineno="68"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>newpt<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,0,0);</highlight></codeline>
 <codeline lineno="69"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(dotranslate)<sp/>{</highlight></codeline>
-<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>newpt<sp/>=<sp/>Q.<ref refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" kindref="member">transform</ref>(x,y,z,center,<sp/>translate);</highlight></codeline>
+<codeline lineno="70"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>newpt<sp/>=<sp/>Q.transform(x,y,z,center,<sp/>translate);</highlight></codeline>
 <codeline lineno="71"><highlight class="normal"><sp/><sp/><sp/><sp/>}<sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"><sp/>{</highlight></codeline>
-<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>newpt<sp/>=<sp/>Q.<ref refid="classlibmolgrid_1_1Quaternion_1ad07f19ca8585a6047d7fbb6a215f08aa" kindref="member">transform</ref>(x,y,z,center,<sp/>newpt);</highlight></codeline>
+<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>newpt<sp/>=<sp/>Q.transform(x,y,z,center,<sp/>newpt);</highlight></codeline>
 <codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="74"><highlight class="normal"></highlight></codeline>
-<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][0]<sp/>=<sp/>newpt.x;</highlight></codeline>
-<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][1]<sp/>=<sp/>newpt.y;</highlight></codeline>
-<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][2]<sp/>=<sp/>newpt.z;</highlight></codeline>
+<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][0]<sp/>=<sp/>newpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="76"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][1]<sp/>=<sp/>newpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="77"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][2]<sp/>=<sp/>newpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
 <codeline lineno="78"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="79"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="80"><highlight class="normal"></highlight></codeline>
@@ -249,24 +286,24 @@
 <codeline lineno="86" refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" refkind="member"><highlight class="normal"></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" kindref="member">Transform::backward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, false&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate<sp/></highlight><highlight class="comment">/*=true*/</highlight><highlight class="normal">)</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="87"><highlight class="normal"><sp/><sp/>checkGrids(in,out);</highlight></codeline>
 <codeline lineno="88"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>N<sp/>=<sp/>in.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(0);</highlight></codeline>
-<codeline lineno="89"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>invQ<sp/>=<sp/>Q.<ref refid="classlibmolgrid_1_1Quaternion_1a40e59f1b2dc5d2131dc5048c2459206f" kindref="member">inverse</ref>();</highlight></codeline>
+<codeline lineno="89"><highlight class="normal"><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>invQ<sp/>=<sp/>Q.<ref refid="classlibmolgrid_1_1Quaternion_1a7a8db6a1c581a808283af03c68ff598c" kindref="member">inverse</ref>();</highlight></codeline>
 <codeline lineno="90"><highlight class="normal"></highlight></codeline>
-<codeline lineno="91"><highlight class="normal"><sp/><sp/>float3<sp/>untranslate;</highlight></codeline>
+<codeline lineno="91"><highlight class="normal"><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>untranslate;</highlight></codeline>
 <codeline lineno="92"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(dotranslate)</highlight></codeline>
-<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/>untranslate<sp/>=<sp/>make_float3(-translate.x<sp/>-<sp/>center.x,<sp/>-translate.y<sp/>-<sp/>center.y,<sp/>-translate.z<sp/>-<sp/>center.z);</highlight></codeline>
+<codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/>untranslate<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(-translate.x<sp/>-<sp/>center.x,<sp/>-translate.y<sp/>-<sp/>center.y,<sp/>-translate.z<sp/>-<sp/>center.z);</highlight></codeline>
 <codeline lineno="94"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">else</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/>untranslate<sp/>=<sp/>make_float3(-center.x,<sp/>-center.y,<sp/>-center.z);</highlight></codeline>
+<codeline lineno="95"><highlight class="normal"><sp/><sp/><sp/><sp/>untranslate<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(-center.x,<sp/>-center.y,<sp/>-center.z);</highlight></codeline>
 <codeline lineno="96"><highlight class="normal"></highlight></codeline>
 <codeline lineno="97"><highlight class="normal"><sp/><sp/></highlight><highlight class="keywordflow">for</highlight><highlight class="normal">(</highlight><highlight class="keywordtype">unsigned</highlight><highlight class="normal"><sp/>i<sp/>=<sp/>0;<sp/>i<sp/>&lt;<sp/>N;<sp/>i++)<sp/>{</highlight></codeline>
 <codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/>Dtype<sp/>x,y,z;</highlight></codeline>
-<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/>x<sp/>=<sp/>in[i][0]<sp/>+<sp/>untranslate.x;</highlight></codeline>
-<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>y<sp/>=<sp/>in[i][1]<sp/>+<sp/>untranslate.y;</highlight></codeline>
-<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/>z<sp/>=<sp/>in[i][2]<sp/>+<sp/>untranslate.z;</highlight></codeline>
+<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/>x<sp/>=<sp/>in[i][0]<sp/>+<sp/>untranslate.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref>;</highlight></codeline>
+<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/>y<sp/>=<sp/>in[i][1]<sp/>+<sp/>untranslate.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref>;</highlight></codeline>
+<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/>z<sp/>=<sp/>in[i][2]<sp/>+<sp/>untranslate.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref>;</highlight></codeline>
 <codeline lineno="102"><highlight class="normal"></highlight></codeline>
-<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>newpt<sp/>=<sp/>invQ.<ref refid="classlibmolgrid_1_1Quaternion_1aa4e402e2cf35dd2ea523414b42878a18" kindref="member">rotate</ref>(x,y,z);</highlight></codeline>
-<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][0]<sp/>=<sp/>newpt.x<sp/>+<sp/>center.x;</highlight></codeline>
-<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][1]<sp/>=<sp/>newpt.y<sp/>+<sp/>center.y;</highlight></codeline>
-<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][2]<sp/>=<sp/>newpt.z<sp/>+<sp/>center.z;</highlight></codeline>
+<codeline lineno="103"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>newpt<sp/>=<sp/>invQ.<ref refid="classlibmolgrid_1_1Quaternion_1a58936fe7ed3a24a7eaa6bc38f5c5dd52" kindref="member">rotate</ref>(x,y,z);</highlight></codeline>
+<codeline lineno="104"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][0]<sp/>=<sp/>newpt.<ref refid="structfloat3_1ad0da36b2558901e21e7a30f6c227a45e" kindref="member">x</ref><sp/>+<sp/>center.x;</highlight></codeline>
+<codeline lineno="105"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][1]<sp/>=<sp/>newpt.<ref refid="structfloat3_1aa4f0d3eebc3c443f9be81bf48561a217" kindref="member">y</ref><sp/>+<sp/>center.y;</highlight></codeline>
+<codeline lineno="106"><highlight class="normal"><sp/><sp/><sp/><sp/>out[i][2]<sp/>=<sp/>newpt.<ref refid="structfloat3_1af73583b1e980b0aa03f9884812e9fd4d" kindref="member">z</ref><sp/>+<sp/>center.z;</highlight></codeline>
 <codeline lineno="107"><highlight class="normal"><sp/><sp/>}</highlight></codeline>
 <codeline lineno="108"><highlight class="normal">}</highlight></codeline>
 <codeline lineno="109"><highlight class="normal"></highlight></codeline>
@@ -276,6 +313,6 @@
 <codeline lineno="113"><highlight class="normal">};</highlight></codeline>
 <codeline lineno="114"><highlight class="normal"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/transform.cpp"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cpp"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/transform_8cu.xml b/docs/cpp/xml/transform_8cu.xml
index 98dd1b9a..bae97c58 100644
--- a/docs/cpp/xml/transform_8cu.xml
+++ b/docs/cpp/xml/transform_8cu.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="transform_8cu" kind="file" language="C++">
     <compoundname>transform.cu</compoundname>
     <briefdescription>
@@ -107,6 +107,6 @@
 <codeline></codeline>
 <codeline><highlight class="normal">}</highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/src/transform.cu"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/src/transform.cu"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/transform_8h.xml b/docs/cpp/xml/transform_8h.xml
index 70fd7a2e..c8aaba78 100644
--- a/docs/cpp/xml/transform_8h.xml
+++ b/docs/cpp/xml/transform_8h.xml
@@ -1,5 +1,5 @@
 <?xml version='1.0' encoding='UTF-8' standalone='no'?>
-<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.17">
+<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.16.1" xml:lang="en-US">
   <compounddef id="transform_8h" kind="file" language="C++">
     <compoundname>transform.h</compoundname>
     <includes local="no">random</includes>
@@ -13,150 +13,187 @@
     <includedby refid="libmolgrid_8cpp" local="yes">libmolgrid.cpp</includedby>
     <includedby refid="transform_8cpp" local="yes">transform.cpp</includedby>
     <incdepgraph>
-      <node id="18">
-        <label>libmolgrid/example.h</label>
-        <link refid="example_8h"/>
-        <childnode refid="19" relation="include">
+      <node id="7">
+        <label>libmolgrid/common.h</label>
+        <link refid="common_8h"/>
+        <childnode refid="8" relation="include">
         </childnode>
-        <childnode refid="20" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
-        <childnode refid="21" relation="include">
+        <childnode refid="3" relation="include">
+        </childnode>
+        <childnode refid="5" relation="include">
         </childnode>
-      </node>
-      <node id="6">
-        <label>boost/lexical_cast.hpp</label>
-      </node>
-      <node id="7">
-        <label>cuda_runtime.h</label>
-      </node>
-      <node id="12">
-        <label>cassert</label>
-      </node>
-      <node id="3">
-        <label>stdexcept</label>
-      </node>
-      <node id="9">
-        <label>libmolgrid/grid.h</label>
-        <link refid="grid_8h"/>
         <childnode refid="10" relation="include">
         </childnode>
         <childnode refid="11" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+      </node>
+      <node id="20">
+        <label>libmolgrid/coordinateset.h</label>
+        <link refid="coordinateset_8h"/>
+        <childnode refid="18" relation="include">
         </childnode>
-        <childnode refid="12" relation="include">
+        <childnode refid="21" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="22" relation="include">
         </childnode>
-        <childnode refid="13" relation="include">
+        <childnode refid="23" relation="include">
         </childnode>
-        <childnode refid="4" relation="include">
+        <childnode refid="28" relation="include">
         </childnode>
       </node>
-      <node id="22">
-        <label>openbabel/mol.h</label>
-      </node>
-      <node id="20">
-        <label>unordered_set</label>
-      </node>
-      <node id="2">
-        <label>random</label>
-      </node>
-      <node id="19">
-        <label>vector</label>
-      </node>
-      <node id="24">
-        <label>utility</label>
+      <node id="17">
+        <label>libmolgrid/example.h</label>
+        <link refid="example_8h"/>
+        <childnode refid="18" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+        <childnode refid="20" relation="include">
+        </childnode>
+        <childnode refid="28" relation="include">
+        </childnode>
       </node>
       <node id="13">
-        <label>libmolgrid/common.h</label>
-        <link refid="common_8h"/>
+        <label>libmolgrid/grid.h</label>
+        <link refid="grid_8h"/>
         <childnode refid="14" relation="include">
         </childnode>
         <childnode refid="15" relation="include">
         </childnode>
+        <childnode refid="6" relation="include">
+        </childnode>
         <childnode refid="16" relation="include">
         </childnode>
-        <childnode refid="17" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-      </node>
-      <node id="5">
-        <label>iostream</label>
-      </node>
-      <node id="1">
-        <label>transform.h</label>
-        <link refid="transform_8h"/>
-        <childnode refid="2" relation="include">
+        <childnode refid="9" relation="include">
         </childnode>
         <childnode refid="3" relation="include">
         </childnode>
+        <childnode refid="7" relation="include">
+        </childnode>
         <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="8" relation="include">
+      </node>
+      <node id="4">
+        <label>libmolgrid/libmolgrid.h</label>
+        <link refid="libmolgrid_8h"/>
+        <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="5" relation="include">
         </childnode>
-        <childnode refid="18" relation="include">
+        <childnode refid="6" relation="include">
+        </childnode>
+        <childnode refid="7" relation="include">
         </childnode>
-      </node>
-      <node id="17">
-        <label>cuda.h</label>
-      </node>
-      <node id="16">
-        <label>cuda_runtime_api.h</label>
-      </node>
-      <node id="11">
-        <label>boost/preprocessor/repetition.hpp</label>
       </node>
       <node id="23">
         <label>libmolgrid/managed_grid.h</label>
         <link refid="managed__grid_8h"/>
-        <childnode refid="14" relation="include">
-        </childnode>
         <childnode refid="24" relation="include">
         </childnode>
+        <childnode refid="8" relation="include">
+        </childnode>
+        <childnode refid="25" relation="include">
+        </childnode>
         <childnode refid="6" relation="include">
         </childnode>
-        <childnode refid="9" relation="include">
+        <childnode refid="26" relation="include">
+        </childnode>
+        <childnode refid="27" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
         </childnode>
       </node>
-      <node id="10">
-        <label>boost/multi_array.hpp</label>
-      </node>
-      <node id="8">
+      <node id="12">
         <label>libmolgrid/quaternion.h</label>
         <link refid="quaternion_8h"/>
         <childnode refid="7" relation="include">
         </childnode>
       </node>
-      <node id="4">
-        <label>libmolgrid/libmolgrid.h</label>
-        <link refid="libmolgrid_8h"/>
+      <node id="28">
+        <label>libmolgrid/string_cache.h</label>
+        <link refid="string__cache_8h"/>
+        <childnode refid="10" relation="include">
+        </childnode>
+        <childnode refid="19" relation="include">
+        </childnode>
+      </node>
+      <node id="1">
+        <label>transform.h</label>
+        <link refid="transform_8h"/>
         <childnode refid="2" relation="include">
         </childnode>
-        <childnode refid="5" relation="include">
+        <childnode refid="3" relation="include">
         </childnode>
-        <childnode refid="6" relation="include">
+        <childnode refid="4" relation="include">
         </childnode>
-        <childnode refid="7" relation="include">
+        <childnode refid="12" relation="include">
+        </childnode>
+        <childnode refid="13" relation="include">
         </childnode>
+        <childnode refid="17" relation="include">
+        </childnode>
+      </node>
+      <node id="6">
+        <label>boost/lexical_cast.hpp</label>
+      </node>
+      <node id="14">
+        <label>boost/multi_array.hpp</label>
       </node>
       <node id="15">
+        <label>boost/preprocessor/repetition.hpp</label>
+      </node>
+      <node id="22">
+        <label>boost/serialization/access.hpp</label>
+      </node>
+      <node id="27">
+        <label>boost/serialization/array.hpp</label>
+      </node>
+      <node id="26">
+        <label>boost/serialization/split_member.hpp</label>
+      </node>
+      <node id="16">
+        <label>cassert</label>
+      </node>
+      <node id="24">
+        <label>cstdlib</label>
+      </node>
+      <node id="9">
         <label>cstring</label>
       </node>
-      <node id="21">
-        <label>libmolgrid/coordinateset.h</label>
-        <link refid="coordinateset_8h"/>
-        <childnode refid="19" relation="include">
-        </childnode>
-        <childnode refid="22" relation="include">
-        </childnode>
-        <childnode refid="23" relation="include">
-        </childnode>
+      <node id="5">
+        <label>iostream</label>
       </node>
-      <node id="14">
+      <node id="11">
+        <label>libmolgrid/config.h</label>
+      </node>
+      <node id="8">
         <label>memory</label>
       </node>
+      <node id="21">
+        <label>openbabel/mol.h</label>
+      </node>
+      <node id="2">
+        <label>random</label>
+      </node>
+      <node id="3">
+        <label>stdexcept</label>
+      </node>
+      <node id="10">
+        <label>string</label>
+      </node>
+      <node id="19">
+        <label>unordered_set</label>
+      </node>
+      <node id="25">
+        <label>utility</label>
+      </node>
+      <node id="18">
+        <label>vector</label>
+      </node>
     </incdepgraph>
     <invincdepgraph>
       <node id="2">
@@ -165,28 +202,12 @@
         <childnode refid="3" relation="include">
         </childnode>
       </node>
-      <node id="5">
-        <label>grid_maker.cpp</label>
-        <link refid="grid__maker_8cpp"/>
-      </node>
       <node id="4">
         <label>grid_maker.h</label>
         <link refid="grid__maker_8h"/>
         <childnode refid="5" relation="include">
         </childnode>
       </node>
-      <node id="6">
-        <label>libmolgrid.cpp</label>
-        <link refid="libmolgrid_8cpp"/>
-      </node>
-      <node id="7">
-        <label>transform.cpp</label>
-        <link refid="transform_8cpp"/>
-      </node>
-      <node id="3">
-        <label>grid_interpolater.cpp</label>
-        <link refid="grid__interpolater_8cpp"/>
-      </node>
       <node id="1">
         <label>transform.h</label>
         <link refid="transform_8h"/>
@@ -199,6 +220,22 @@
         <childnode refid="7" relation="include">
         </childnode>
       </node>
+      <node id="3">
+        <label>grid_interpolater.cpp</label>
+        <link refid="grid__interpolater_8cpp"/>
+      </node>
+      <node id="5">
+        <label>grid_maker.cpp</label>
+        <link refid="grid__maker_8cpp"/>
+      </node>
+      <node id="6">
+        <label>libmolgrid.cpp</label>
+        <link refid="libmolgrid_8cpp"/>
+      </node>
+      <node id="7">
+        <label>transform.cpp</label>
+        <link refid="transform_8cpp"/>
+      </node>
     </invincdepgraph>
     <innerclass refid="classlibmolgrid_1_1Transform" prot="public">libmolgrid::Transform</innerclass>
     <innernamespace refid="namespacelibmolgrid">libmolgrid</innernamespace>
@@ -226,21 +263,21 @@
 <codeline lineno="17"><highlight class="normal"></highlight></codeline>
 <codeline lineno="18"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibmolgrid" kindref="compound">libmolgrid</ref><sp/>{</highlight></codeline>
 <codeline lineno="19"><highlight class="normal"></highlight></codeline>
-<codeline lineno="20"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Transform</highlight></codeline>
-<codeline lineno="27" refid="classlibmolgrid_1_1Transform" refkind="compound"><highlight class="comment"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Transform" kindref="compound">Transform</ref><sp/>{</highlight></codeline>
+<codeline lineno="20"><highlight class="normal"></highlight><highlight class="comment">//<sp/>Docstring_Transform</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="27" refid="classlibmolgrid_1_1Transform" refkind="compound"><highlight class="normal"></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform</ref><sp/>{</highlight></codeline>
 <codeline lineno="28"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref><sp/>Q;<sp/></highlight><highlight class="comment">//rotation</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>center;<sp/></highlight><highlight class="comment">//center<sp/>of<sp/>rotation</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/>translate;<sp/></highlight><highlight class="comment">//amount<sp/>to<sp/>move<sp/>after<sp/>rotation</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="29"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>center;<sp/></highlight><highlight class="comment">//center<sp/>of<sp/>rotation</highlight><highlight class="normal"></highlight></codeline>
+<codeline lineno="30"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>translate;<sp/></highlight><highlight class="comment">//amount<sp/>to<sp/>move<sp/>after<sp/>rotation</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="31"><highlight class="normal"></highlight></codeline>
 <codeline lineno="32"><highlight class="normal"><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
 <codeline lineno="33" refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform</ref>()<sp/>{</highlight></codeline>
-<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>center<sp/>=<sp/>make_float3(0,<sp/>0,<sp/>0);</highlight></codeline>
-<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>translate<sp/>=<sp/>make_float3(0,<sp/>0,<sp/>0);</highlight></codeline>
+<codeline lineno="34"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>center<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,<sp/>0,<sp/>0);</highlight></codeline>
+<codeline lineno="35"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>translate<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,<sp/>0,<sp/>0);</highlight></codeline>
 <codeline lineno="36"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="37"><highlight class="normal"></highlight></codeline>
 <codeline lineno="38" refid="classlibmolgrid_1_1Transform_1a9297cddcfa3ce722db2b9d947faf5fc1" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform_1a9297cddcfa3ce722db2b9d947faf5fc1" kindref="member">Transform</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>q,</highlight></codeline>
-<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>c<sp/>=<sp/>make_float3(0,<sp/>0,<sp/>0),</highlight></codeline>
-<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>float3<sp/>t<sp/>=<sp/>make_float3(0,<sp/>0,<sp/>0))</highlight></codeline>
+<codeline lineno="39"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>c<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,<sp/>0,<sp/>0),</highlight></codeline>
+<codeline lineno="40"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/>t<sp/>=<sp/><ref refid="common_8h_1a30e8664f6bf2996bbb07759857d474fd" kindref="member">make_float3</ref>(0,<sp/>0,<sp/>0))</highlight></codeline>
 <codeline lineno="41"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>:<sp/>Q(q),<sp/>center(c),<sp/>translate(t)<sp/>{</highlight></codeline>
 <codeline lineno="42"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="43"><highlight class="normal"></highlight></codeline>
@@ -250,7 +287,7 @@
 <codeline lineno="47"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_translate<sp/>Amount<sp/>(+/-)<sp/>to<sp/>randomly<sp/>translte</highlight></codeline>
 <codeline lineno="48"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>random_rotate<sp/>If<sp/>true,<sp/>apply<sp/>random<sp/>rotation</highlight></codeline>
 <codeline lineno="49"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
-<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform</ref>(float3<sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translate<sp/>=<sp/>0.0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotate<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
+<codeline lineno="50"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="classlibmolgrid_1_1Transform_1a9de68ec1c9b7809129814a3233ae4655" kindref="member">Transform</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>c,<sp/></highlight><highlight class="keywordtype">float</highlight><highlight class="normal"><sp/>random_translate<sp/>=<sp/>0.0,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>random_rotate<sp/>=<sp/></highlight><highlight class="keyword">false</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="51"><highlight class="normal"></highlight></codeline>
 <codeline lineno="52"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Transform_forward_1</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="53"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Apply<sp/>3D<sp/>transformation<sp/>on<sp/>CPU.<sp/><sp/><sp/>It<sp/>is<sp/>safe<sp/>to<sp/>transform</highlight></codeline>
@@ -294,7 +331,7 @@
 <codeline lineno="91"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>(This<sp/>is<sp/>for<sp/>vector<sp/>quantities<sp/>such<sp/>as<sp/>gradients<sp/>and<sp/>normals).</highlight></codeline>
 <codeline lineno="92"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="93"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="94"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1a00ddce88bd65b5128951517a5bc7f57a" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="94" refid="classlibmolgrid_1_1Transform_1aaac1c3c99bd6c9f760db45e134ee7421" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1aaac1c3c99bd6c9f760db45e134ee7421" kindref="member">forward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="95"><highlight class="normal"></highlight></codeline>
 <codeline lineno="96"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">//<sp/>Docstring_Transform_backward_1</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="comment">/*<sp/>\brief<sp/>Apply<sp/>inverse<sp/>of<sp/>3D<sp/>transformation<sp/>on<sp/>CPU.</highlight></codeline>
@@ -312,15 +349,15 @@
 <codeline lineno="109"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*<sp/>@param[in]<sp/>dotranslate<sp/>if<sp/>false<sp/>only<sp/>the<sp/>inverse<sp/>rotation<sp/>is<sp/>applied</highlight></codeline>
 <codeline lineno="110"><highlight class="comment"><sp/><sp/><sp/><sp/><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
 <codeline lineno="111"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">template</highlight><highlight class="normal"><sp/>&lt;</highlight><highlight class="keyword">typename</highlight><highlight class="normal"><sp/>Dtype&gt;</highlight></codeline>
-<codeline lineno="112"><highlight class="normal"><sp/><sp/><sp/><sp/>__host__<sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1acfada39f4f16531f4289971bd29ce946" kindref="member">backward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
+<codeline lineno="112" refid="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1af7ec363914911cc041e0512055de6f7f" kindref="member">backward</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>in,<sp/><ref refid="classlibmolgrid_1_1Grid" kindref="compound">Grid&lt;Dtype, 2, true&gt;</ref>&amp;<sp/>out,<sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/>dotranslate=</highlight><highlight class="keyword">true</highlight><highlight class="normal">)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
 <codeline lineno="113"><highlight class="normal"></highlight></codeline>
-<codeline lineno="114" refid="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Transform_1a820d00aca5ffb38b12e30dd732895d84" kindref="member">get_quaternion</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>Q;<sp/>}</highlight></codeline>
-<codeline lineno="115" refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>center;<sp/>}</highlight></codeline>
-<codeline lineno="116" refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>float3<sp/><ref refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" kindref="member">get_translation</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>translate;<sp/>}</highlight></codeline>
+<codeline lineno="114" refid="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/><ref refid="classlibmolgrid_1_1Transform_1a4ac37eee05a840bdfd3c390a58515057" kindref="member">get_quaternion</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>Q;<sp/>}</highlight></codeline>
+<codeline lineno="115" refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1Transform_1a8295f46fb38138ea671d17c1f0eb96db" kindref="member">get_rotation_center</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>center;<sp/>}</highlight></codeline>
+<codeline lineno="116" refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><ref refid="structfloat3" kindref="compound">float3</ref><sp/><ref refid="classlibmolgrid_1_1Transform_1a440d5c632b85f365f998eb5de1145417" kindref="member">get_translation</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{<sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>translate;<sp/>}</highlight></codeline>
 <codeline lineno="117"><highlight class="normal"></highlight></codeline>
 <codeline lineno="118" refid="classlibmolgrid_1_1Transform_1a9e38010f3139c44bade78285ff2592fc" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1a9e38010f3139c44bade78285ff2592fc" kindref="member">set_quaternion</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>&amp;<sp/>q)<sp/>{<sp/>Q<sp/>=<sp/>q;<sp/>}</highlight></codeline>
-<codeline lineno="119" refid="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5" kindref="member">set_rotation_center</ref>(float3<sp/>c)<sp/>{<sp/>center<sp/>=<sp/>c;<sp/>}</highlight></codeline>
-<codeline lineno="120" refid="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d" kindref="member">set_translation</ref>(float3<sp/>t)<sp/>{<sp/>translate<sp/>=<sp/>t;<sp/>}</highlight></codeline>
+<codeline lineno="119" refid="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1af6e35c966d85215c4de841c5a7a56fb5" kindref="member">set_rotation_center</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>c)<sp/>{<sp/>center<sp/>=<sp/>c;<sp/>}</highlight></codeline>
+<codeline lineno="120" refid="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1a91aa6efe3a2d9198c193ac42b2a3a42d" kindref="member">set_translation</ref>(<ref refid="structfloat3" kindref="compound">float3</ref><sp/>t)<sp/>{<sp/>translate<sp/>=<sp/>t;<sp/>}</highlight></codeline>
 <codeline lineno="121"><highlight class="normal"></highlight></codeline>
 <codeline lineno="123" refid="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">bool</highlight><highlight class="normal"><sp/><ref refid="classlibmolgrid_1_1Transform_1a91ad0596c60b63bca9cea696e377a2d6" kindref="member">is_identity</ref>()</highlight><highlight class="keyword"><sp/>const<sp/></highlight><highlight class="normal">{</highlight></codeline>
 <codeline lineno="124"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">return</highlight><highlight class="normal"><sp/>Q<sp/>==<sp/><ref refid="classlibmolgrid_1_1Quaternion" kindref="compound">Quaternion</ref>()<sp/>&amp;&amp;<sp/>translate.x<sp/>==<sp/>0<sp/>&amp;&amp;<sp/>translate.y<sp/>==<sp/>0<sp/>&amp;&amp;<sp/>translate.z<sp/>==<sp/>0;</highlight></codeline>
@@ -340,10 +377,10 @@
 <codeline lineno="138"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aa9b61e8668a98c2e264339c38e74065b" kindref="member">dimension</ref>(1)<sp/>!=<sp/>3)<sp/>{</highlight></codeline>
 <codeline lineno="139"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Output<sp/>coordinates<sp/>are<sp/>wrong<sp/>dimension.&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="140"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
+<codeline lineno="141"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(in.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
 <codeline lineno="142"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Input<sp/>coordinates<sp/>missing<sp/>memory&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="143"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
-<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1aaa5a68e1e5befda24cb7b3e422ba9cc5" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
+<codeline lineno="144"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">if</highlight><highlight class="normal">(out.<ref refid="classlibmolgrid_1_1Grid_1a1f3452be669796729ab78152d845013f" kindref="member">data</ref>()<sp/>==<sp/></highlight><highlight class="keyword">nullptr</highlight><highlight class="normal">)<sp/>{</highlight></codeline>
 <codeline lineno="145"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordflow">throw</highlight><highlight class="normal"><sp/>std::invalid_argument(</highlight><highlight class="stringliteral">&quot;Output<sp/>coordinates<sp/>missing<sp/>memory&quot;</highlight><highlight class="normal">);</highlight></codeline>
 <codeline lineno="146"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/>}</highlight></codeline>
 <codeline lineno="147"><highlight class="normal"><sp/><sp/><sp/><sp/>}</highlight></codeline>
@@ -356,6 +393,6 @@
 <codeline lineno="154"><highlight class="normal"></highlight></codeline>
 <codeline lineno="155"><highlight class="normal"></highlight><highlight class="preprocessor">#endif<sp/></highlight><highlight class="comment">/*<sp/>TRANSFORM_H_<sp/>*/</highlight><highlight class="preprocessor"></highlight></codeline>
     </programlisting>
-    <location file="/home/dkoes/git/libmolgrid/include/libmolgrid/transform.h"/>
+    <location file="/Users/florian/Documents/Science-IA/libmolgrid/include/libmolgrid/transform.h"/>
   </compounddef>
 </doxygen>
diff --git a/docs/cpp/xml/xml.xsd b/docs/cpp/xml/xml.xsd
new file mode 100644
index 00000000..9f80fe15
--- /dev/null
+++ b/docs/cpp/xml/xml.xsd
@@ -0,0 +1,23 @@
+<?xml version='1.0'?>
+<xsd:schema targetNamespace="http://www.w3.org/XML/1998/namespace"
+            xmlns:xsd="http://www.w3.org/2001/XMLSchema"
+            xml:lang="en">
+
+  <xsd:attribute name="lang" type="xsd:language">
+  </xsd:attribute>
+
+  <xsd:attribute name="space" default="preserve">
+    <xsd:simpleType>
+      <xsd:restriction base="xsd:NCName">
+        <xsd:enumeration value="default"/>
+        <xsd:enumeration value="preserve"/>
+      </xsd:restriction>
+    </xsd:simpleType>
+  </xsd:attribute>
+
+  <xsd:attributeGroup name="specialAttrs">
+    <xsd:attribute ref="xml:lang"/>
+    <xsd:attribute ref="xml:space"/>
+  </xsd:attributeGroup>
+
+</xsd:schema>
diff --git a/docs/index.md b/docs/index.md
index c2f3be4a..d9605116 100644
--- a/docs/index.md
+++ b/docs/index.md
@@ -11,40 +11,76 @@ title: libmolgrid
 
 libmolgrid abstracts basic input generation functionality used in our related project, [gnina](https://github.com/gnina/gnina), with applications reported in several papers including [Protein-Ligand Scoring with Convolutional Neural Networks](https://arxiv.org/abs/1612.02751).
 
-It's implemented in C++/CUDA with Python bindings, with first-class integration for PyTorch, Caffe, and Keras.
+It's implemented in C++ with Python bindings. This fork keeps the upstream CUDA backend available and adds a Metal backend for Apple Silicon builds.
 
 # Installation
 
-  Recommended:
+## PIP
 
-  ```bash
-  pip install molgrid
-  ```
+```bash
+pip install molgrid
+```
 
-  Install via conda is also supported:
+## conda
 
-  ```bash
-  conda install -c jsunseri molgrid
-  ```
+```bash
+conda install -c gnina molgrid
+```
 
-  Alternatively, you can build from source:
+## Build from Source
 
-  ```bash
-  pip3 install numpy pytest pyquaternion
-  ```
+```bash
+apt install git build-essential libboost-all-dev python3-pip rapidjson-dev
+pip3 install numpy pytest pyquaternion
+```
 
 [Install cmake 3.12 or higher.](https://cmake.org/install/)
 
 [Install CUDA.](https://developer.nvidia.com/cuda-downloads)
 
-Install OpenBabel 3.0 (Not yet released, build from [master](https://github.com/openbabel/openbabel)).
-
-  ```bash
-  git clone https://github.com/gnina/libmolgrid.git
-  cd libmolgrid
-  mkdir build
-  cd build
-  cmake ..
-  make -j8
-  sudo make install
-  ```
+Install OpenBabel 3.0 (build from [master](https://github.com/openbabel/openbabel) if needed).
+
+`apt install libeigen3-dev libboost-all-dev`
+
+```bash
+git clone https://github.com/gnina/libmolgrid.git
+cd libmolgrid
+mkdir build
+cd build
+cmake ..
+make -j8
+sudo make install
+```
+
+## macOS / Apple Silicon
+
+For this fork, macOS builds can use the Metal backend when CUDA is not available.
+
+```bash
+brew install cmake boost open-babel rapidjson eigen python
+pip3 install numpy pytest pyquaternion
+```
+
+Xcode Command Line Tools are required for the Metal toolchain:
+
+```bash
+xcode-select --install
+```
+
+Build with Metal explicitly enabled:
+
+```bash
+git clone https://github.com/fnachon/libmolgrid.git
+cd libmolgrid
+mkdir build
+cd build
+cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_CUDA=OFF
+make -j$(sysctl -n hw.logicalcpu)
+sudo make install
+```
+
+To build with the upstream CUDA backend instead, disable Metal and use a CUDA-enabled toolchain:
+
+```bash
+cmake .. -DCMAKE_BUILD_TYPE=Release -DLIBMOLGRID_ENABLE_METAL=OFF
+```
diff --git a/docs/python/.buildinfo b/docs/python/.buildinfo
index 6832981a..17077152 100644
--- a/docs/python/.buildinfo
+++ b/docs/python/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
-# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 927a56d93ee520698a0e08922687b400
+# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
+config: 2cd90147853fc630d634e6a8653a3a45
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/docs/python/.doctrees/environment.pickle b/docs/python/.doctrees/environment.pickle
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diff --git a/docs/python/_sources/index.rst.txt b/docs/python/_sources/index.rst.txt
index 8e5a5e43..9213c1ae 100644
--- a/docs/python/_sources/index.rst.txt
+++ b/docs/python/_sources/index.rst.txt
@@ -8,7 +8,6 @@ libmolgrid Python documentation
    About <../about#://>
    Docs Home <../docs.html#://>
    Tutorials <../tutorials#://>
-   molgrid Python documentation <index>
 
 Python Docs
 ===========
diff --git a/docs/python/_static/_sphinx_javascript_frameworks_compat.js b/docs/python/_static/_sphinx_javascript_frameworks_compat.js
new file mode 100644
index 00000000..81415803
--- /dev/null
+++ b/docs/python/_static/_sphinx_javascript_frameworks_compat.js
@@ -0,0 +1,123 @@
+/* Compatability shim for jQuery and underscores.js.
+ *
+ * Copyright Sphinx contributors
+ * Released under the two clause BSD licence
+ */
+
+/**
+ * small helper function to urldecode strings
+ *
+ * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL
+ */
+jQuery.urldecode = function(x) {
+    if (!x) {
+        return x
+    }
+    return decodeURIComponent(x.replace(/\+/g, ' '));
+};
+
+/**
+ * small helper function to urlencode strings
+ */
+jQuery.urlencode = encodeURIComponent;
+
+/**
+ * This function returns the parsed url parameters of the
+ * current request. Multiple values per key are supported,
+ * it will always return arrays of strings for the value parts.
+ */
+jQuery.getQueryParameters = function(s) {
+    if (typeof s === 'undefined')
+        s = document.location.search;
+    var parts = s.substr(s.indexOf('?') + 1).split('&');
+    var result = {};
+    for (var i = 0; i < parts.length; i++) {
+        var tmp = parts[i].split('=', 2);
+        var key = jQuery.urldecode(tmp[0]);
+        var value = jQuery.urldecode(tmp[1]);
+        if (key in result)
+            result[key].push(value);
+        else
+            result[key] = [value];
+    }
+    return result;
+};
+
+/**
+ * highlight a given string on a jquery object by wrapping it in
+ * span elements with the given class name.
+ */
+jQuery.fn.highlightText = function(text, className) {
+    function highlight(node, addItems) {
+        if (node.nodeType === 3) {
+            var val = node.nodeValue;
+            var pos = val.toLowerCase().indexOf(text);
+            if (pos >= 0 &&
+                !jQuery(node.parentNode).hasClass(className) &&
+                !jQuery(node.parentNode).hasClass("nohighlight")) {
+                var span;
+                var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg");
+                if (isInSVG) {
+                    span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
+                } else {
+                    span = document.createElement("span");
+                    span.className = className;
+                }
+                span.appendChild(document.createTextNode(val.substr(pos, text.length)));
+                node.parentNode.insertBefore(span, node.parentNode.insertBefore(
+                    document.createTextNode(val.substr(pos + text.length)),
+                    node.nextSibling));
+                node.nodeValue = val.substr(0, pos);
+                if (isInSVG) {
+                    var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect");
+                    var bbox = node.parentElement.getBBox();
+                    rect.x.baseVal.value = bbox.x;
+                    rect.y.baseVal.value = bbox.y;
+                    rect.width.baseVal.value = bbox.width;
+                    rect.height.baseVal.value = bbox.height;
+                    rect.setAttribute('class', className);
+                    addItems.push({
+                        "parent": node.parentNode,
+                        "target": rect});
+                }
+            }
+        }
+        else if (!jQuery(node).is("button, select, textarea")) {
+            jQuery.each(node.childNodes, function() {
+                highlight(this, addItems);
+            });
+        }
+    }
+    var addItems = [];
+    var result = this.each(function() {
+        highlight(this, addItems);
+    });
+    for (var i = 0; i < addItems.length; ++i) {
+        jQuery(addItems[i].parent).before(addItems[i].target);
+    }
+    return result;
+};
+
+/*
+ * backward compatibility for jQuery.browser
+ * This will be supported until firefox bug is fixed.
+ */
+if (!jQuery.browser) {
+    jQuery.uaMatch = function(ua) {
+        ua = ua.toLowerCase();
+
+        var match = /(chrome)[ \/]([\w.]+)/.exec(ua) ||
+            /(webkit)[ \/]([\w.]+)/.exec(ua) ||
+            /(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) ||
+            /(msie) ([\w.]+)/.exec(ua) ||
+            ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) ||
+            [];
+
+        return {
+            browser: match[ 1 ] || "",
+            version: match[ 2 ] || "0"
+        };
+    };
+    jQuery.browser = {};
+    jQuery.browser[jQuery.uaMatch(navigator.userAgent).browser] = true;
+}
diff --git a/docs/python/_static/base-stemmer.js b/docs/python/_static/base-stemmer.js
new file mode 100644
index 00000000..e6fa0c49
--- /dev/null
+++ b/docs/python/_static/base-stemmer.js
@@ -0,0 +1,476 @@
+// @ts-check
+
+/**@constructor*/
+BaseStemmer = function() {
+    /** @protected */
+    this.current = '';
+    this.cursor = 0;
+    this.limit = 0;
+    this.limit_backward = 0;
+    this.bra = 0;
+    this.ket = 0;
+
+    /**
+     * @param {string} value
+     */
+    this.setCurrent = function(value) {
+        this.current = value;
+        this.cursor = 0;
+        this.limit = this.current.length;
+        this.limit_backward = 0;
+        this.bra = this.cursor;
+        this.ket = this.limit;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.getCurrent = function() {
+        return this.current;
+    };
+
+    /**
+     * @param {BaseStemmer} other
+     */
+    this.copy_from = function(other) {
+        /** @protected */
+        this.current          = other.current;
+        this.cursor           = other.cursor;
+        this.limit            = other.limit;
+        this.limit_backward   = other.limit_backward;
+        this.bra              = other.bra;
+        this.ket              = other.ket;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.in_grouping = function(s, min, max) {
+        /** @protected */
+        if (this.cursor >= this.limit) return false;
+        var ch = this.current.charCodeAt(this.cursor);
+        if (ch > max || ch < min) return false;
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false;
+        this.cursor++;
+        return true;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_in_grouping = function(s, min, max) {
+        /** @protected */
+        while (this.cursor < this.limit) {
+            var ch = this.current.charCodeAt(this.cursor);
+            if (ch > max || ch < min)
+                return true;
+            ch -= min;
+            if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0)
+                return true;
+            this.cursor++;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.in_grouping_b = function(s, min, max) {
+        /** @protected */
+        if (this.cursor <= this.limit_backward) return false;
+        var ch = this.current.charCodeAt(this.cursor - 1);
+        if (ch > max || ch < min) return false;
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false;
+        this.cursor--;
+        return true;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_in_grouping_b = function(s, min, max) {
+        /** @protected */
+        while (this.cursor > this.limit_backward) {
+            var ch = this.current.charCodeAt(this.cursor - 1);
+            if (ch > max || ch < min) return true;
+            ch -= min;
+            if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return true;
+            this.cursor--;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.out_grouping = function(s, min, max) {
+        /** @protected */
+        if (this.cursor >= this.limit) return false;
+        var ch = this.current.charCodeAt(this.cursor);
+        if (ch > max || ch < min) {
+            this.cursor++;
+            return true;
+        }
+        ch -= min;
+        if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) == 0) {
+            this.cursor++;
+            return true;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_out_grouping = function(s, min, max) {
+        /** @protected */
+        while (this.cursor < this.limit) {
+            var ch = this.current.charCodeAt(this.cursor);
+            if (ch <= max && ch >= min) {
+                ch -= min;
+                if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) != 0) {
+                    return true;
+                }
+            }
+            this.cursor++;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.out_grouping_b = function(s, min, max) {
+        /** @protected */
+        if (this.cursor <= this.limit_backward) return false;
+        var ch = this.current.charCodeAt(this.cursor - 1);
+        if (ch > max || ch < min) {
+            this.cursor--;
+            return true;
+        }
+        ch -= min;
+        if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) {
+            this.cursor--;
+            return true;
+        }
+        return false;
+    };
+
+    /**
+     * @param {number[]} s
+     * @param {number} min
+     * @param {number} max
+     * @return {boolean}
+     */
+    this.go_out_grouping_b = function(s, min, max) {
+        /** @protected */
+        while (this.cursor > this.limit_backward) {
+            var ch = this.current.charCodeAt(this.cursor - 1);
+            if (ch <= max && ch >= min) {
+                ch -= min;
+                if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) != 0) {
+                    return true;
+                }
+            }
+            this.cursor--;
+        }
+        return false;
+    };
+
+    /**
+     * @param {string} s
+     * @return {boolean}
+     */
+    this.eq_s = function(s)
+    {
+        /** @protected */
+        if (this.limit - this.cursor < s.length) return false;
+        if (this.current.slice(this.cursor, this.cursor + s.length) != s)
+        {
+            return false;
+        }
+        this.cursor += s.length;
+        return true;
+    };
+
+    /**
+     * @param {string} s
+     * @return {boolean}
+     */
+    this.eq_s_b = function(s)
+    {
+        /** @protected */
+        if (this.cursor - this.limit_backward < s.length) return false;
+        if (this.current.slice(this.cursor - s.length, this.cursor) != s)
+        {
+            return false;
+        }
+        this.cursor -= s.length;
+        return true;
+    };
+
+    /**
+     * @param {Among[]} v
+     * @return {number}
+     */
+    this.find_among = function(v)
+    {
+        /** @protected */
+        var i = 0;
+        var j = v.length;
+
+        var c = this.cursor;
+        var l = this.limit;
+
+        var common_i = 0;
+        var common_j = 0;
+
+        var first_key_inspected = false;
+
+        while (true)
+        {
+            var k = i + ((j - i) >>> 1);
+            var diff = 0;
+            var common = common_i < common_j ? common_i : common_j; // smaller
+            // w[0]: string, w[1]: substring_i, w[2]: result, w[3]: function (optional)
+            var w = v[k];
+            var i2;
+            for (i2 = common; i2 < w[0].length; i2++)
+            {
+                if (c + common == l)
+                {
+                    diff = -1;
+                    break;
+                }
+                diff = this.current.charCodeAt(c + common) - w[0].charCodeAt(i2);
+                if (diff != 0) break;
+                common++;
+            }
+            if (diff < 0)
+            {
+                j = k;
+                common_j = common;
+            }
+            else
+            {
+                i = k;
+                common_i = common;
+            }
+            if (j - i <= 1)
+            {
+                if (i > 0) break; // v->s has been inspected
+                if (j == i) break; // only one item in v
+
+                // - but now we need to go round once more to get
+                // v->s inspected. This looks messy, but is actually
+                // the optimal approach.
+
+                if (first_key_inspected) break;
+                first_key_inspected = true;
+            }
+        }
+        do {
+            var w = v[i];
+            if (common_i >= w[0].length)
+            {
+                this.cursor = c + w[0].length;
+                if (w.length < 4) return w[2];
+                var res = w[3](this);
+                this.cursor = c + w[0].length;
+                if (res) return w[2];
+            }
+            i = w[1];
+        } while (i >= 0);
+        return 0;
+    };
+
+    // find_among_b is for backwards processing. Same comments apply
+    /**
+     * @param {Among[]} v
+     * @return {number}
+     */
+    this.find_among_b = function(v)
+    {
+        /** @protected */
+        var i = 0;
+        var j = v.length
+
+        var c = this.cursor;
+        var lb = this.limit_backward;
+
+        var common_i = 0;
+        var common_j = 0;
+
+        var first_key_inspected = false;
+
+        while (true)
+        {
+            var k = i + ((j - i) >> 1);
+            var diff = 0;
+            var common = common_i < common_j ? common_i : common_j;
+            var w = v[k];
+            var i2;
+            for (i2 = w[0].length - 1 - common; i2 >= 0; i2--)
+            {
+                if (c - common == lb)
+                {
+                    diff = -1;
+                    break;
+                }
+                diff = this.current.charCodeAt(c - 1 - common) - w[0].charCodeAt(i2);
+                if (diff != 0) break;
+                common++;
+            }
+            if (diff < 0)
+            {
+                j = k;
+                common_j = common;
+            }
+            else
+            {
+                i = k;
+                common_i = common;
+            }
+            if (j - i <= 1)
+            {
+                if (i > 0) break;
+                if (j == i) break;
+                if (first_key_inspected) break;
+                first_key_inspected = true;
+            }
+        }
+        do {
+            var w = v[i];
+            if (common_i >= w[0].length)
+            {
+                this.cursor = c - w[0].length;
+                if (w.length < 4) return w[2];
+                var res = w[3](this);
+                this.cursor = c - w[0].length;
+                if (res) return w[2];
+            }
+            i = w[1];
+        } while (i >= 0);
+        return 0;
+    };
+
+    /* to replace chars between c_bra and c_ket in this.current by the
+     * chars in s.
+     */
+    /**
+     * @param {number} c_bra
+     * @param {number} c_ket
+     * @param {string} s
+     * @return {number}
+     */
+    this.replace_s = function(c_bra, c_ket, s)
+    {
+        /** @protected */
+        var adjustment = s.length - (c_ket - c_bra);
+        this.current = this.current.slice(0, c_bra) + s + this.current.slice(c_ket);
+        this.limit += adjustment;
+        if (this.cursor >= c_ket) this.cursor += adjustment;
+        else if (this.cursor > c_bra) this.cursor = c_bra;
+        return adjustment;
+    };
+
+    /**
+     * @return {boolean}
+     */
+    this.slice_check = function()
+    {
+        /** @protected */
+        if (this.bra < 0 ||
+            this.bra > this.ket ||
+            this.ket > this.limit ||
+            this.limit > this.current.length)
+        {
+            return false;
+        }
+        return true;
+    };
+
+    /**
+     * @param {number} c_bra
+     * @return {boolean}
+     */
+    this.slice_from = function(s)
+    {
+        /** @protected */
+        var result = false;
+        if (this.slice_check())
+        {
+            this.replace_s(this.bra, this.ket, s);
+            result = true;
+        }
+        return result;
+    };
+
+    /**
+     * @return {boolean}
+     */
+    this.slice_del = function()
+    {
+        /** @protected */
+        return this.slice_from("");
+    };
+
+    /**
+     * @param {number} c_bra
+     * @param {number} c_ket
+     * @param {string} s
+     */
+    this.insert = function(c_bra, c_ket, s)
+    {
+        /** @protected */
+        var adjustment = this.replace_s(c_bra, c_ket, s);
+        if (c_bra <= this.bra) this.bra += adjustment;
+        if (c_bra <= this.ket) this.ket += adjustment;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.slice_to = function()
+    {
+        /** @protected */
+        var result = '';
+        if (this.slice_check())
+        {
+            result = this.current.slice(this.bra, this.ket);
+        }
+        return result;
+    };
+
+    /**
+     * @return {string}
+     */
+    this.assign_to = function()
+    {
+        /** @protected */
+        return this.current.slice(0, this.limit);
+    };
+};
diff --git a/docs/python/_static/basic.css b/docs/python/_static/basic.css
index 603f6a87..4738b2ed 100644
--- a/docs/python/_static/basic.css
+++ b/docs/python/_static/basic.css
@@ -1,12 +1,5 @@
 /*
- * basic.css
- * ~~~~~~~~~
- *
  * Sphinx stylesheet -- basic theme.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
  */
 
 /* -- main layout ----------------------------------------------------------- */
@@ -115,15 +108,11 @@ img {
 /* -- search page ----------------------------------------------------------- */
 
 ul.search {
-    margin: 10px 0 0 20px;
-    padding: 0;
+    margin-top: 10px;
 }
 
 ul.search li {
-    padding: 5px 0 5px 20px;
-    background-image: url(file.png);
-    background-repeat: no-repeat;
-    background-position: 0 7px;
+    padding: 5px 0;
 }
 
 ul.search li a {
@@ -222,7 +211,7 @@ table.modindextable td {
 /* -- general body styles --------------------------------------------------- */
 
 div.body {
-    min-width: 450px;
+    min-width: 360px;
     max-width: 800px;
 }
 
@@ -237,14 +226,8 @@ a.headerlink {
     visibility: hidden;
 }
 
-a.brackets:before,
-span.brackets > a:before{
-    content: "[";
-}
-
-a.brackets:after,
-span.brackets > a:after {
-    content: "]";
+a:visited {
+    color: #551A8B;
 }
 
 h1:hover > a.headerlink,
@@ -335,12 +318,16 @@ p.sidebar-title {
     font-weight: bold;
 }
 
+nav.contents,
+aside.topic,
 div.admonition, div.topic, blockquote {
     clear: left;
 }
 
 /* -- topics ---------------------------------------------------------------- */
 
+nav.contents,
+aside.topic,
 div.topic {
     border: 1px solid #ccc;
     padding: 7px;
@@ -379,6 +366,8 @@ div.body p.centered {
 
 div.sidebar > :last-child,
 aside.sidebar > :last-child,
+nav.contents > :last-child,
+aside.topic > :last-child,
 div.topic > :last-child,
 div.admonition > :last-child {
     margin-bottom: 0;
@@ -386,6 +375,8 @@ div.admonition > :last-child {
 
 div.sidebar::after,
 aside.sidebar::after,
+nav.contents::after,
+aside.topic::after,
 div.topic::after,
 div.admonition::after,
 blockquote::after {
@@ -428,10 +419,6 @@ table.docutils td, table.docutils th {
     border-bottom: 1px solid #aaa;
 }
 
-table.footnote td, table.footnote th {
-    border: 0 !important;
-}
-
 th {
     text-align: left;
     padding-right: 5px;
@@ -615,19 +602,26 @@ ul.simple p {
     margin-bottom: 0;
 }
 
-dl.footnote > dt,
-dl.citation > dt {
+aside.footnote > span,
+div.citation > span {
     float: left;
-    margin-right: 0.5em;
 }
-
-dl.footnote > dd,
-dl.citation > dd {
+aside.footnote > span:last-of-type,
+div.citation > span:last-of-type {
+  padding-right: 0.5em;
+}
+aside.footnote > p {
+  margin-left: 2em;
+}
+div.citation > p {
+  margin-left: 4em;
+}
+aside.footnote > p:last-of-type,
+div.citation > p:last-of-type {
     margin-bottom: 0em;
 }
-
-dl.footnote > dd:after,
-dl.citation > dd:after {
+aside.footnote > p:last-of-type:after,
+div.citation > p:last-of-type:after {
     content: "";
     clear: both;
 }
@@ -644,10 +638,6 @@ dl.field-list > dt {
     padding-right: 5px;
 }
 
-dl.field-list > dt:after {
-    content: ":";
-}
-
 dl.field-list > dd {
     padding-left: 0.5em;
     margin-top: 0em;
@@ -673,6 +663,16 @@ dd {
     margin-left: 30px;
 }
 
+.sig dd {
+    margin-top: 0px;
+    margin-bottom: 0px;
+}
+
+.sig dl {
+    margin-top: 0px;
+    margin-bottom: 0px;
+}
+
 dl > dd:last-child,
 dl > dd:last-child > :last-child {
     margin-bottom: 0;
@@ -757,6 +757,7 @@ span.pre {
     -ms-hyphens: none;
     -webkit-hyphens: none;
     hyphens: none;
+    white-space: nowrap;
 }
 
 div[class*="highlight-"] {
diff --git a/docs/python/_static/css/badge_only.css b/docs/python/_static/css/badge_only.css
index e380325b..88ba55b9 100644
--- a/docs/python/_static/css/badge_only.css
+++ b/docs/python/_static/css/badge_only.css
@@ -1 +1 @@
-.fa:before{-webkit-font-smoothing:antialiased}.clearfix{*zoom:1}.clearfix:after,.clearfix:before{display:table;content:""}.clearfix:after{clear:both}@font-face{font-family:FontAwesome;font-style:normal;font-weight:400;src:url(fonts/fontawesome-webfont.eot?674f50d287a8c48dc19ba404d20fe713?#iefix) format("embedded-opentype"),url(fonts/fontawesome-webfont.woff2?af7ae505a9eed503f8b8e6982036873e) format("woff2"),url(fonts/fontawesome-webfont.woff?fee66e712a8a08eef5805a46892932ad) format("woff"),url(fonts/fontawesome-webfont.ttf?b06871f281fee6b241d60582ae9369b9) format("truetype"),url(fonts/fontawesome-webfont.svg?912ec66d7572ff821749319396470bde#FontAwesome) format("svg")}.fa:before{font-family:FontAwesome;font-style:normal;font-weight:400;line-height:1}.fa:before,a .fa{text-decoration:inherit}.fa:before,a .fa,li .fa{display:inline-block}li .fa-large:before{width:1.875em}ul.fas{list-style-type:none;margin-left:2em;text-indent:-.8em}ul.fas li .fa{width:.8em}ul.fas li .fa-large:before{vertical-align:baseline}.fa-book:before,.icon-book:before{content:"\f02d"}.fa-caret-down:before,.icon-caret-down:before{content:"\f0d7"}.fa-caret-up:before,.icon-caret-up:before{content:"\f0d8"}.fa-caret-left:before,.icon-caret-left:before{content:"\f0d9"}.fa-caret-right:before,.icon-caret-right:before{content:"\f0da"}.rst-versions{position:fixed;bottom:0;left:0;width:300px;color:#fcfcfc;background:#1f1d1d;font-family:Lato,proxima-nova,Helvetica Neue,Arial,sans-serif;z-index:400}.rst-versions a{color:#2980b9;text-decoration:none}.rst-versions .rst-badge-small{display:none}.rst-versions .rst-current-version{padding:12px;background-color:#272525;display:block;text-align:right;font-size:90%;cursor:pointer;color:#27ae60}.rst-versions .rst-current-version:after{clear:both;content:"";display:block}.rst-versions .rst-current-version .fa{color:#fcfcfc}.rst-versions .rst-current-version .fa-book,.rst-versions .rst-current-version .icon-book{float:left}.rst-versions .rst-current-version.rst-out-of-date{background-color:#e74c3c;color:#fff}.rst-versions .rst-current-version.rst-active-old-version{background-color:#f1c40f;color:#000}.rst-versions.shift-up{height:auto;max-height:100%;overflow-y:scroll}.rst-versions.shift-up .rst-other-versions{display:block}.rst-versions .rst-other-versions{font-size:90%;padding:12px;color:grey;display:none}.rst-versions .rst-other-versions hr{display:block;height:1px;border:0;margin:20px 0;padding:0;border-top:1px solid #413d3d}.rst-versions .rst-other-versions dd{display:inline-block;margin:0}.rst-versions .rst-other-versions dd a{display:inline-block;padding:6px;color:#fcfcfc}.rst-versions.rst-badge{width:auto;bottom:20px;right:20px;left:auto;border:none;max-width:300px;max-height:90%}.rst-versions.rst-badge .fa-book,.rst-versions.rst-badge .icon-book{float:none;line-height:30px}.rst-versions.rst-badge.shift-up .rst-current-version{text-align:right}.rst-versions.rst-badge.shift-up .rst-current-version .fa-book,.rst-versions.rst-badge.shift-up .rst-current-version .icon-book{float:left}.rst-versions.rst-badge>.rst-current-version{width:auto;height:30px;line-height:30px;padding:0 6px;display:block;text-align:center}@media screen and (max-width:768px){.rst-versions{width:85%;display:none}.rst-versions.shift{display:block}}
\ No newline at end of file
+.clearfix{*zoom:1}.clearfix:after,.clearfix:before{display:table;content:""}.clearfix:after{clear:both}@font-face{font-family:FontAwesome;font-style:normal;font-weight:400;src:url(fonts/fontawesome-webfont.eot?674f50d287a8c48dc19ba404d20fe713?#iefix) format("embedded-opentype"),url(fonts/fontawesome-webfont.woff2?af7ae505a9eed503f8b8e6982036873e) format("woff2"),url(fonts/fontawesome-webfont.woff?fee66e712a8a08eef5805a46892932ad) format("woff"),url(fonts/fontawesome-webfont.ttf?b06871f281fee6b241d60582ae9369b9) format("truetype"),url(fonts/fontawesome-webfont.svg?912ec66d7572ff821749319396470bde#FontAwesome) format("svg")}.fa:before{font-family:FontAwesome;font-style:normal;font-weight:400;line-height:1}.fa:before,a .fa{text-decoration:inherit}.fa:before,a .fa,li .fa{display:inline-block}li .fa-large:before{width:1.875em}ul.fas{list-style-type:none;margin-left:2em;text-indent:-.8em}ul.fas li .fa{width:.8em}ul.fas li .fa-large:before{vertical-align:baseline}.fa-book:before,.icon-book:before{content:"\f02d"}.fa-caret-down:before,.icon-caret-down:before{content:"\f0d7"}.fa-caret-up:before,.icon-caret-up:before{content:"\f0d8"}.fa-caret-left:before,.icon-caret-left:before{content:"\f0d9"}.fa-caret-right:before,.icon-caret-right:before{content:"\f0da"}.rst-versions{position:fixed;bottom:0;left:0;width:300px;color:#fcfcfc;background:#1f1d1d;font-family:Lato,proxima-nova,Helvetica Neue,Arial,sans-serif;z-index:400}.rst-versions a{color:#2980b9;text-decoration:none}.rst-versions .rst-badge-small{display:none}.rst-versions .rst-current-version{padding:12px;background-color:#272525;display:block;text-align:right;font-size:90%;cursor:pointer;color:#27ae60}.rst-versions .rst-current-version:after{clear:both;content:"";display:block}.rst-versions .rst-current-version .fa{color:#fcfcfc}.rst-versions .rst-current-version .fa-book,.rst-versions .rst-current-version .icon-book{float:left}.rst-versions .rst-current-version.rst-out-of-date{background-color:#e74c3c;color:#fff}.rst-versions .rst-current-version.rst-active-old-version{background-color:#f1c40f;color:#000}.rst-versions.shift-up{height:auto;max-height:100%;overflow-y:scroll}.rst-versions.shift-up .rst-other-versions{display:block}.rst-versions .rst-other-versions{font-size:90%;padding:12px;color:grey;display:none}.rst-versions .rst-other-versions hr{display:block;height:1px;border:0;margin:20px 0;padding:0;border-top:1px solid #413d3d}.rst-versions .rst-other-versions dd{display:inline-block;margin:0}.rst-versions .rst-other-versions dd a{display:inline-block;padding:6px;color:#fcfcfc}.rst-versions .rst-other-versions .rtd-current-item{font-weight:700}.rst-versions.rst-badge{width:auto;bottom:20px;right:20px;left:auto;border:none;max-width:300px;max-height:90%}.rst-versions.rst-badge .fa-book,.rst-versions.rst-badge .icon-book{float:none;line-height:30px}.rst-versions.rst-badge.shift-up .rst-current-version{text-align:right}.rst-versions.rst-badge.shift-up .rst-current-version .fa-book,.rst-versions.rst-badge.shift-up .rst-current-version .icon-book{float:left}.rst-versions.rst-badge>.rst-current-version{width:auto;height:30px;line-height:30px;padding:0 6px;display:block;text-align:center}@media screen and (max-width:768px){.rst-versions{width:85%;display:none}.rst-versions.shift{display:block}}#flyout-search-form{padding:6px}
\ No newline at end of file
diff --git a/docs/python/_static/css/theme.css b/docs/python/_static/css/theme.css
index 0d9ae7e1..a88467c1 100644
--- a/docs/python/_static/css/theme.css
+++ b/docs/python/_static/css/theme.css
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diff --git a/docs/python/_static/doctools.js b/docs/python/_static/doctools.js
index 8cbf1b16..807cdb17 100644
--- a/docs/python/_static/doctools.js
+++ b/docs/python/_static/doctools.js
@@ -1,323 +1,150 @@
 /*
- * doctools.js
- * ~~~~~~~~~~~
- *
- * Sphinx JavaScript utilities for all documentation.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
+ * Base JavaScript utilities for all Sphinx HTML documentation.
  */
-
-/**
- * select a different prefix for underscore
- */
-$u = _.noConflict();
-
-/**
- * make the code below compatible with browsers without
- * an installed firebug like debugger
-if (!window.console || !console.firebug) {
-  var names = ["log", "debug", "info", "warn", "error", "assert", "dir",
-    "dirxml", "group", "groupEnd", "time", "timeEnd", "count", "trace",
-    "profile", "profileEnd"];
-  window.console = {};
-  for (var i = 0; i < names.length; ++i)
-    window.console[names[i]] = function() {};
-}
- */
-
-/**
- * small helper function to urldecode strings
- *
- * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL
- */
-jQuery.urldecode = function(x) {
-  if (!x) {
-    return x
-  }
-  return decodeURIComponent(x.replace(/\+/g, ' '));
-};
-
-/**
- * small helper function to urlencode strings
- */
-jQuery.urlencode = encodeURIComponent;
-
-/**
- * This function returns the parsed url parameters of the
- * current request. Multiple values per key are supported,
- * it will always return arrays of strings for the value parts.
- */
-jQuery.getQueryParameters = function(s) {
-  if (typeof s === 'undefined')
-    s = document.location.search;
-  var parts = s.substr(s.indexOf('?') + 1).split('&');
-  var result = {};
-  for (var i = 0; i < parts.length; i++) {
-    var tmp = parts[i].split('=', 2);
-    var key = jQuery.urldecode(tmp[0]);
-    var value = jQuery.urldecode(tmp[1]);
-    if (key in result)
-      result[key].push(value);
-    else
-      result[key] = [value];
+"use strict";
+
+const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([
+  "TEXTAREA",
+  "INPUT",
+  "SELECT",
+  "BUTTON",
+]);
+
+const _ready = (callback) => {
+  if (document.readyState !== "loading") {
+    callback();
+  } else {
+    document.addEventListener("DOMContentLoaded", callback);
   }
-  return result;
 };
 
-/**
- * highlight a given string on a jquery object by wrapping it in
- * span elements with the given class name.
- */
-jQuery.fn.highlightText = function(text, className) {
-  function highlight(node, addItems) {
-    if (node.nodeType === 3) {
-      var val = node.nodeValue;
-      var pos = val.toLowerCase().indexOf(text);
-      if (pos >= 0 &&
-          !jQuery(node.parentNode).hasClass(className) &&
-          !jQuery(node.parentNode).hasClass("nohighlight")) {
-        var span;
-        var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg");
-        if (isInSVG) {
-          span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
-        } else {
-          span = document.createElement("span");
-          span.className = className;
-        }
-        span.appendChild(document.createTextNode(val.substr(pos, text.length)));
-        node.parentNode.insertBefore(span, node.parentNode.insertBefore(
-          document.createTextNode(val.substr(pos + text.length)),
-          node.nextSibling));
-        node.nodeValue = val.substr(0, pos);
-        if (isInSVG) {
-          var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect");
-          var bbox = node.parentElement.getBBox();
-          rect.x.baseVal.value = bbox.x;
-          rect.y.baseVal.value = bbox.y;
-          rect.width.baseVal.value = bbox.width;
-          rect.height.baseVal.value = bbox.height;
-          rect.setAttribute('class', className);
-          addItems.push({
-              "parent": node.parentNode,
-              "target": rect});
-        }
-      }
-    }
-    else if (!jQuery(node).is("button, select, textarea")) {
-      jQuery.each(node.childNodes, function() {
-        highlight(this, addItems);
-      });
-    }
-  }
-  var addItems = [];
-  var result = this.each(function() {
-    highlight(this, addItems);
-  });
-  for (var i = 0; i < addItems.length; ++i) {
-    jQuery(addItems[i].parent).before(addItems[i].target);
-  }
-  return result;
-};
-
-/*
- * backward compatibility for jQuery.browser
- * This will be supported until firefox bug is fixed.
- */
-if (!jQuery.browser) {
-  jQuery.uaMatch = function(ua) {
-    ua = ua.toLowerCase();
-
-    var match = /(chrome)[ \/]([\w.]+)/.exec(ua) ||
-      /(webkit)[ \/]([\w.]+)/.exec(ua) ||
-      /(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) ||
-      /(msie) ([\w.]+)/.exec(ua) ||
-      ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) ||
-      [];
-
-    return {
-      browser: match[ 1 ] || "",
-      version: match[ 2 ] || "0"
-    };
-  };
-  jQuery.browser = {};
-  jQuery.browser[jQuery.uaMatch(navigator.userAgent).browser] = true;
-}
-
 /**
  * Small JavaScript module for the documentation.
  */
-var Documentation = {
-
-  init : function() {
-    this.fixFirefoxAnchorBug();
-    this.highlightSearchWords();
-    this.initIndexTable();
-    if (DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) {
-      this.initOnKeyListeners();
-    }
+const Documentation = {
+  init: () => {
+    Documentation.initDomainIndexTable();
+    Documentation.initOnKeyListeners();
   },
 
   /**
    * i18n support
    */
-  TRANSLATIONS : {},
-  PLURAL_EXPR : function(n) { return n === 1 ? 0 : 1; },
-  LOCALE : 'unknown',
+  TRANSLATIONS: {},
+  PLURAL_EXPR: (n) => (n === 1 ? 0 : 1),
+  LOCALE: "unknown",
 
   // gettext and ngettext don't access this so that the functions
   // can safely bound to a different name (_ = Documentation.gettext)
-  gettext : function(string) {
-    var translated = Documentation.TRANSLATIONS[string];
-    if (typeof translated === 'undefined')
-      return string;
-    return (typeof translated === 'string') ? translated : translated[0];
-  },
-
-  ngettext : function(singular, plural, n) {
-    var translated = Documentation.TRANSLATIONS[singular];
-    if (typeof translated === 'undefined')
-      return (n == 1) ? singular : plural;
-    return translated[Documentation.PLURALEXPR(n)];
+  gettext: (string) => {
+    const translated = Documentation.TRANSLATIONS[string];
+    switch (typeof translated) {
+      case "undefined":
+        return string; // no translation
+      case "string":
+        return translated; // translation exists
+      default:
+        return translated[0]; // (singular, plural) translation tuple exists
+    }
   },
 
-  addTranslations : function(catalog) {
-    for (var key in catalog.messages)
-      this.TRANSLATIONS[key] = catalog.messages[key];
-    this.PLURAL_EXPR = new Function('n', 'return +(' + catalog.plural_expr + ')');
-    this.LOCALE = catalog.locale;
+  ngettext: (singular, plural, n) => {
+    const translated = Documentation.TRANSLATIONS[singular];
+    if (typeof translated !== "undefined")
+      return translated[Documentation.PLURAL_EXPR(n)];
+    return n === 1 ? singular : plural;
   },
 
-  /**
-   * add context elements like header anchor links
-   */
-  addContextElements : function() {
-    $('div[id] > :header:first').each(function() {
-      $('<a class="headerlink">\u00B6</a>').
-      attr('href', '#' + this.id).
-      attr('title', _('Permalink to this headline')).
-      appendTo(this);
-    });
-    $('dt[id]').each(function() {
-      $('<a class="headerlink">\u00B6</a>').
-      attr('href', '#' + this.id).
-      attr('title', _('Permalink to this definition')).
-      appendTo(this);
-    });
+  addTranslations: (catalog) => {
+    Object.assign(Documentation.TRANSLATIONS, catalog.messages);
+    Documentation.PLURAL_EXPR = new Function(
+      "n",
+      `return (${catalog.plural_expr})`,
+    );
+    Documentation.LOCALE = catalog.locale;
   },
 
   /**
-   * workaround a firefox stupidity
-   * see: https://bugzilla.mozilla.org/show_bug.cgi?id=645075
+   * helper function to focus on search bar
    */
-  fixFirefoxAnchorBug : function() {
-    if (document.location.hash && $.browser.mozilla)
-      window.setTimeout(function() {
-        document.location.href += '';
-      }, 10);
+  focusSearchBar: () => {
+    document.querySelectorAll("input[name=q]")[0]?.focus();
   },
 
   /**
-   * highlight the search words provided in the url in the text
+   * Initialise the domain index toggle buttons
    */
-  highlightSearchWords : function() {
-    var params = $.getQueryParameters();
-    var terms = (params.highlight) ? params.highlight[0].split(/\s+/) : [];
-    if (terms.length) {
-      var body = $('div.body');
-      if (!body.length) {
-        body = $('body');
+  initDomainIndexTable: () => {
+    const toggler = (el) => {
+      const idNumber = el.id.substr(7);
+      const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`);
+      if (el.src.substr(-9) === "minus.png") {
+        el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`;
+        toggledRows.forEach((el) => (el.style.display = "none"));
+      } else {
+        el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`;
+        toggledRows.forEach((el) => (el.style.display = ""));
       }
-      window.setTimeout(function() {
-        $.each(terms, function() {
-          body.highlightText(this.toLowerCase(), 'highlighted');
-        });
-      }, 10);
-      $('<p class="highlight-link"><a href="javascript:Documentation.' +
-        'hideSearchWords()">' + _('Hide Search Matches') + '</a></p>')
-          .appendTo($('#searchbox'));
-    }
-  },
-
-  /**
-   * init the domain index toggle buttons
-   */
-  initIndexTable : function() {
-    var togglers = $('img.toggler').click(function() {
-      var src = $(this).attr('src');
-      var idnum = $(this).attr('id').substr(7);
-      $('tr.cg-' + idnum).toggle();
-      if (src.substr(-9) === 'minus.png')
-        $(this).attr('src', src.substr(0, src.length-9) + 'plus.png');
-      else
-        $(this).attr('src', src.substr(0, src.length-8) + 'minus.png');
-    }).css('display', '');
-    if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) {
-        togglers.click();
-    }
-  },
-
-  /**
-   * helper function to hide the search marks again
-   */
-  hideSearchWords : function() {
-    $('#searchbox .highlight-link').fadeOut(300);
-    $('span.highlighted').removeClass('highlighted');
-  },
-
-  /**
-   * make the url absolute
-   */
-  makeURL : function(relativeURL) {
-    return DOCUMENTATION_OPTIONS.URL_ROOT + '/' + relativeURL;
-  },
+    };
 
-  /**
-   * get the current relative url
-   */
-  getCurrentURL : function() {
-    var path = document.location.pathname;
-    var parts = path.split(/\//);
-    $.each(DOCUMENTATION_OPTIONS.URL_ROOT.split(/\//), function() {
-      if (this === '..')
-        parts.pop();
-    });
-    var url = parts.join('/');
-    return path.substring(url.lastIndexOf('/') + 1, path.length - 1);
+    const togglerElements = document.querySelectorAll("img.toggler");
+    togglerElements.forEach((el) =>
+      el.addEventListener("click", (event) => toggler(event.currentTarget)),
+    );
+    togglerElements.forEach((el) => (el.style.display = ""));
+    if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler);
   },
 
-  initOnKeyListeners: function() {
-    $(document).keydown(function(event) {
-      var activeElementType = document.activeElement.tagName;
-      // don't navigate when in search box, textarea, dropdown or button
-      if (activeElementType !== 'TEXTAREA' && activeElementType !== 'INPUT' && activeElementType !== 'SELECT'
-          && activeElementType !== 'BUTTON' && !event.altKey && !event.ctrlKey && !event.metaKey
-          && !event.shiftKey) {
-        switch (event.keyCode) {
-          case 37: // left
-            var prevHref = $('link[rel="prev"]').prop('href');
-            if (prevHref) {
-              window.location.href = prevHref;
-              return false;
+  initOnKeyListeners: () => {
+    // only install a listener if it is really needed
+    if (
+      !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS
+      && !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS
+    )
+      return;
+
+    document.addEventListener("keydown", (event) => {
+      // bail for input elements
+      if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName))
+        return;
+      // bail with special keys
+      if (event.altKey || event.ctrlKey || event.metaKey) return;
+
+      if (!event.shiftKey) {
+        switch (event.key) {
+          case "ArrowLeft":
+            if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break;
+
+            const prevLink = document.querySelector('link[rel="prev"]');
+            if (prevLink && prevLink.href) {
+              window.location.href = prevLink.href;
+              event.preventDefault();
             }
             break;
-          case 39: // right
-            var nextHref = $('link[rel="next"]').prop('href');
-            if (nextHref) {
-              window.location.href = nextHref;
-              return false;
+          case "ArrowRight":
+            if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break;
+
+            const nextLink = document.querySelector('link[rel="next"]');
+            if (nextLink && nextLink.href) {
+              window.location.href = nextLink.href;
+              event.preventDefault();
             }
             break;
         }
       }
+
+      // some keyboard layouts may need Shift to get /
+      switch (event.key) {
+        case "/":
+          if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break;
+          Documentation.focusSearchBar();
+          event.preventDefault();
+      }
     });
-  }
+  },
 };
 
 // quick alias for translations
-_ = Documentation.gettext;
+const _ = Documentation.gettext;
 
-$(document).ready(function() {
-  Documentation.init();
-});
+_ready(Documentation.init);
diff --git a/docs/python/_static/documentation_options.js b/docs/python/_static/documentation_options.js
index 2fa8c97f..7e4c114f 100644
--- a/docs/python/_static/documentation_options.js
+++ b/docs/python/_static/documentation_options.js
@@ -1,12 +1,13 @@
-var DOCUMENTATION_OPTIONS = {
-    URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
+const DOCUMENTATION_OPTIONS = {
     VERSION: '',
-    LANGUAGE: 'None',
+    LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
     FILE_SUFFIX: '.html',
     LINK_SUFFIX: '.html',
     HAS_SOURCE: true,
     SOURCELINK_SUFFIX: '.txt',
-    NAVIGATION_WITH_KEYS: false
+    NAVIGATION_WITH_KEYS: false,
+    SHOW_SEARCH_SUMMARY: true,
+    ENABLE_SEARCH_SHORTCUTS: true,
 };
\ No newline at end of file
diff --git a/docs/python/_static/english-stemmer.js b/docs/python/_static/english-stemmer.js
new file mode 100644
index 00000000..056760ee
--- /dev/null
+++ b/docs/python/_static/english-stemmer.js
@@ -0,0 +1,1066 @@
+// Generated from english.sbl by Snowball 3.0.1 - https://snowballstem.org/
+
+/**@constructor*/
+var EnglishStemmer = function() {
+    var base = new BaseStemmer();
+
+    /** @const */ var a_0 = [
+        ["arsen", -1, -1],
+        ["commun", -1, -1],
+        ["emerg", -1, -1],
+        ["gener", -1, -1],
+        ["later", -1, -1],
+        ["organ", -1, -1],
+        ["past", -1, -1],
+        ["univers", -1, -1]
+    ];
+
+    /** @const */ var a_1 = [
+        ["'", -1, 1],
+        ["'s'", 0, 1],
+        ["'s", -1, 1]
+    ];
+
+    /** @const */ var a_2 = [
+        ["ied", -1, 2],
+        ["s", -1, 3],
+        ["ies", 1, 2],
+        ["sses", 1, 1],
+        ["ss", 1, -1],
+        ["us", 1, -1]
+    ];
+
+    /** @const */ var a_3 = [
+        ["succ", -1, 1],
+        ["proc", -1, 1],
+        ["exc", -1, 1]
+    ];
+
+    /** @const */ var a_4 = [
+        ["even", -1, 2],
+        ["cann", -1, 2],
+        ["inn", -1, 2],
+        ["earr", -1, 2],
+        ["herr", -1, 2],
+        ["out", -1, 2],
+        ["y", -1, 1]
+    ];
+
+    /** @const */ var a_5 = [
+        ["", -1, -1],
+        ["ed", 0, 2],
+        ["eed", 1, 1],
+        ["ing", 0, 3],
+        ["edly", 0, 2],
+        ["eedly", 4, 1],
+        ["ingly", 0, 2]
+    ];
+
+    /** @const */ var a_6 = [
+        ["", -1, 3],
+        ["bb", 0, 2],
+        ["dd", 0, 2],
+        ["ff", 0, 2],
+        ["gg", 0, 2],
+        ["bl", 0, 1],
+        ["mm", 0, 2],
+        ["nn", 0, 2],
+        ["pp", 0, 2],
+        ["rr", 0, 2],
+        ["at", 0, 1],
+        ["tt", 0, 2],
+        ["iz", 0, 1]
+    ];
+
+    /** @const */ var a_7 = [
+        ["anci", -1, 3],
+        ["enci", -1, 2],
+        ["ogi", -1, 14],
+        ["li", -1, 16],
+        ["bli", 3, 12],
+        ["abli", 4, 4],
+        ["alli", 3, 8],
+        ["fulli", 3, 9],
+        ["lessli", 3, 15],
+        ["ousli", 3, 10],
+        ["entli", 3, 5],
+        ["aliti", -1, 8],
+        ["biliti", -1, 12],
+        ["iviti", -1, 11],
+        ["tional", -1, 1],
+        ["ational", 14, 7],
+        ["alism", -1, 8],
+        ["ation", -1, 7],
+        ["ization", 17, 6],
+        ["izer", -1, 6],
+        ["ator", -1, 7],
+        ["iveness", -1, 11],
+        ["fulness", -1, 9],
+        ["ousness", -1, 10],
+        ["ogist", -1, 13]
+    ];
+
+    /** @const */ var a_8 = [
+        ["icate", -1, 4],
+        ["ative", -1, 6],
+        ["alize", -1, 3],
+        ["iciti", -1, 4],
+        ["ical", -1, 4],
+        ["tional", -1, 1],
+        ["ational", 5, 2],
+        ["ful", -1, 5],
+        ["ness", -1, 5]
+    ];
+
+    /** @const */ var a_9 = [
+        ["ic", -1, 1],
+        ["ance", -1, 1],
+        ["ence", -1, 1],
+        ["able", -1, 1],
+        ["ible", -1, 1],
+        ["ate", -1, 1],
+        ["ive", -1, 1],
+        ["ize", -1, 1],
+        ["iti", -1, 1],
+        ["al", -1, 1],
+        ["ism", -1, 1],
+        ["ion", -1, 2],
+        ["er", -1, 1],
+        ["ous", -1, 1],
+        ["ant", -1, 1],
+        ["ent", -1, 1],
+        ["ment", 15, 1],
+        ["ement", 16, 1]
+    ];
+
+    /** @const */ var a_10 = [
+        ["e", -1, 1],
+        ["l", -1, 2]
+    ];
+
+    /** @const */ var a_11 = [
+        ["andes", -1, -1],
+        ["atlas", -1, -1],
+        ["bias", -1, -1],
+        ["cosmos", -1, -1],
+        ["early", -1, 5],
+        ["gently", -1, 3],
+        ["howe", -1, -1],
+        ["idly", -1, 2],
+        ["news", -1, -1],
+        ["only", -1, 6],
+        ["singly", -1, 7],
+        ["skies", -1, 1],
+        ["sky", -1, -1],
+        ["ugly", -1, 4]
+    ];
+
+    /** @const */ var /** Array<int> */ g_aeo = [17, 64];
+
+    /** @const */ var /** Array<int> */ g_v = [17, 65, 16, 1];
+
+    /** @const */ var /** Array<int> */ g_v_WXY = [1, 17, 65, 208, 1];
+
+    /** @const */ var /** Array<int> */ g_valid_LI = [55, 141, 2];
+
+    var /** boolean */ B_Y_found = false;
+    var /** number */ I_p2 = 0;
+    var /** number */ I_p1 = 0;
+
+
+    /** @return {boolean} */
+    function r_prelude() {
+        B_Y_found = false;
+        /** @const */ var /** number */ v_1 = base.cursor;
+        lab0: {
+            base.bra = base.cursor;
+            if (!(base.eq_s("'")))
+            {
+                break lab0;
+            }
+            base.ket = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        base.cursor = v_1;
+        /** @const */ var /** number */ v_2 = base.cursor;
+        lab1: {
+            base.bra = base.cursor;
+            if (!(base.eq_s("y")))
+            {
+                break lab1;
+            }
+            base.ket = base.cursor;
+            if (!base.slice_from("Y"))
+            {
+                return false;
+            }
+            B_Y_found = true;
+        }
+        base.cursor = v_2;
+        /** @const */ var /** number */ v_3 = base.cursor;
+        lab2: {
+            while(true)
+            {
+                /** @const */ var /** number */ v_4 = base.cursor;
+                lab3: {
+                    golab4: while(true)
+                    {
+                        /** @const */ var /** number */ v_5 = base.cursor;
+                        lab5: {
+                            if (!(base.in_grouping(g_v, 97, 121)))
+                            {
+                                break lab5;
+                            }
+                            base.bra = base.cursor;
+                            if (!(base.eq_s("y")))
+                            {
+                                break lab5;
+                            }
+                            base.ket = base.cursor;
+                            base.cursor = v_5;
+                            break golab4;
+                        }
+                        base.cursor = v_5;
+                        if (base.cursor >= base.limit)
+                        {
+                            break lab3;
+                        }
+                        base.cursor++;
+                    }
+                    if (!base.slice_from("Y"))
+                    {
+                        return false;
+                    }
+                    B_Y_found = true;
+                    continue;
+                }
+                base.cursor = v_4;
+                break;
+            }
+        }
+        base.cursor = v_3;
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_mark_regions() {
+        I_p1 = base.limit;
+        I_p2 = base.limit;
+        /** @const */ var /** number */ v_1 = base.cursor;
+        lab0: {
+            lab1: {
+                /** @const */ var /** number */ v_2 = base.cursor;
+                lab2: {
+                    if (base.find_among(a_0) == 0)
+                    {
+                        break lab2;
+                    }
+                    break lab1;
+                }
+                base.cursor = v_2;
+                if (!base.go_out_grouping(g_v, 97, 121))
+                {
+                    break lab0;
+                }
+                base.cursor++;
+                if (!base.go_in_grouping(g_v, 97, 121))
+                {
+                    break lab0;
+                }
+                base.cursor++;
+            }
+            I_p1 = base.cursor;
+            if (!base.go_out_grouping(g_v, 97, 121))
+            {
+                break lab0;
+            }
+            base.cursor++;
+            if (!base.go_in_grouping(g_v, 97, 121))
+            {
+                break lab0;
+            }
+            base.cursor++;
+            I_p2 = base.cursor;
+        }
+        base.cursor = v_1;
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_shortv() {
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                if (!(base.out_grouping_b(g_v_WXY, 89, 121)))
+                {
+                    break lab1;
+                }
+                if (!(base.in_grouping_b(g_v, 97, 121)))
+                {
+                    break lab1;
+                }
+                if (!(base.out_grouping_b(g_v, 97, 121)))
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            lab2: {
+                if (!(base.out_grouping_b(g_v, 97, 121)))
+                {
+                    break lab2;
+                }
+                if (!(base.in_grouping_b(g_v, 97, 121)))
+                {
+                    break lab2;
+                }
+                if (base.cursor > base.limit_backward)
+                {
+                    break lab2;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            if (!(base.eq_s_b("past")))
+            {
+                return false;
+            }
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_R1() {
+        return I_p1 <= base.cursor;
+    };
+
+    /** @return {boolean} */
+    function r_R2() {
+        return I_p2 <= base.cursor;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1a() {
+        var /** number */ among_var;
+        /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+        lab0: {
+            base.ket = base.cursor;
+            if (base.find_among_b(a_1) == 0)
+            {
+                base.cursor = base.limit - v_1;
+                break lab0;
+            }
+            base.bra = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_2);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("ss"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                lab1: {
+                    /** @const */ var /** number */ v_2 = base.limit - base.cursor;
+                    lab2: {
+                        {
+                            /** @const */ var /** number */ c1 = base.cursor - 2;
+                            if (c1 < base.limit_backward)
+                            {
+                                break lab2;
+                            }
+                            base.cursor = c1;
+                        }
+                        if (!base.slice_from("i"))
+                        {
+                            return false;
+                        }
+                        break lab1;
+                    }
+                    base.cursor = base.limit - v_2;
+                    if (!base.slice_from("ie"))
+                    {
+                        return false;
+                    }
+                }
+                break;
+            case 3:
+                if (base.cursor <= base.limit_backward)
+                {
+                    return false;
+                }
+                base.cursor--;
+                if (!base.go_out_grouping_b(g_v, 97, 121))
+                {
+                    return false;
+                }
+                base.cursor--;
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1b() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_5);
+        base.bra = base.cursor;
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                switch (among_var) {
+                    case 1:
+                        /** @const */ var /** number */ v_2 = base.limit - base.cursor;
+                        lab2: {
+                            lab3: {
+                                /** @const */ var /** number */ v_3 = base.limit - base.cursor;
+                                lab4: {
+                                    if (base.find_among_b(a_3) == 0)
+                                    {
+                                        break lab4;
+                                    }
+                                    if (base.cursor > base.limit_backward)
+                                    {
+                                        break lab4;
+                                    }
+                                    break lab3;
+                                }
+                                base.cursor = base.limit - v_3;
+                                if (!r_R1())
+                                {
+                                    break lab2;
+                                }
+                                if (!base.slice_from("ee"))
+                                {
+                                    return false;
+                                }
+                            }
+                        }
+                        base.cursor = base.limit - v_2;
+                        break;
+                    case 2:
+                        break lab1;
+                    case 3:
+                        among_var = base.find_among_b(a_4);
+                        if (among_var == 0)
+                        {
+                            break lab1;
+                        }
+                        switch (among_var) {
+                            case 1:
+                                /** @const */ var /** number */ v_4 = base.limit - base.cursor;
+                                if (!(base.out_grouping_b(g_v, 97, 121)))
+                                {
+                                    break lab1;
+                                }
+                                if (base.cursor > base.limit_backward)
+                                {
+                                    break lab1;
+                                }
+                                base.cursor = base.limit - v_4;
+                                base.bra = base.cursor;
+                                if (!base.slice_from("ie"))
+                                {
+                                    return false;
+                                }
+                                break;
+                            case 2:
+                                if (base.cursor > base.limit_backward)
+                                {
+                                    break lab1;
+                                }
+                                break;
+                        }
+                        break;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            /** @const */ var /** number */ v_5 = base.limit - base.cursor;
+            if (!base.go_out_grouping_b(g_v, 97, 121))
+            {
+                return false;
+            }
+            base.cursor--;
+            base.cursor = base.limit - v_5;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+            base.ket = base.cursor;
+            base.bra = base.cursor;
+            /** @const */ var /** number */ v_6 = base.limit - base.cursor;
+            among_var = base.find_among_b(a_6);
+            switch (among_var) {
+                case 1:
+                    if (!base.slice_from("e"))
+                    {
+                        return false;
+                    }
+                    return false;
+                case 2:
+                    {
+                        /** @const */ var /** number */ v_7 = base.limit - base.cursor;
+                        lab5: {
+                            if (!(base.in_grouping_b(g_aeo, 97, 111)))
+                            {
+                                break lab5;
+                            }
+                            if (base.cursor > base.limit_backward)
+                            {
+                                break lab5;
+                            }
+                            return false;
+                        }
+                        base.cursor = base.limit - v_7;
+                    }
+                    break;
+                case 3:
+                    if (base.cursor != I_p1)
+                    {
+                        return false;
+                    }
+                    /** @const */ var /** number */ v_8 = base.limit - base.cursor;
+                    if (!r_shortv())
+                    {
+                        return false;
+                    }
+                    base.cursor = base.limit - v_8;
+                    if (!base.slice_from("e"))
+                    {
+                        return false;
+                    }
+                    return false;
+            }
+            base.cursor = base.limit - v_6;
+            base.ket = base.cursor;
+            if (base.cursor <= base.limit_backward)
+            {
+                return false;
+            }
+            base.cursor--;
+            base.bra = base.cursor;
+            if (!base.slice_del())
+            {
+                return false;
+            }
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_1c() {
+        base.ket = base.cursor;
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+            lab1: {
+                if (!(base.eq_s_b("y")))
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = base.limit - v_1;
+            if (!(base.eq_s_b("Y")))
+            {
+                return false;
+            }
+        }
+        base.bra = base.cursor;
+        if (!(base.out_grouping_b(g_v, 97, 121)))
+        {
+            return false;
+        }
+        lab2: {
+            if (base.cursor > base.limit_backward)
+            {
+                break lab2;
+            }
+            return false;
+        }
+        if (!base.slice_from("i"))
+        {
+            return false;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_2() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_7);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R1())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("tion"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("ence"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("ance"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("able"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_from("ent"))
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!base.slice_from("ize"))
+                {
+                    return false;
+                }
+                break;
+            case 7:
+                if (!base.slice_from("ate"))
+                {
+                    return false;
+                }
+                break;
+            case 8:
+                if (!base.slice_from("al"))
+                {
+                    return false;
+                }
+                break;
+            case 9:
+                if (!base.slice_from("ful"))
+                {
+                    return false;
+                }
+                break;
+            case 10:
+                if (!base.slice_from("ous"))
+                {
+                    return false;
+                }
+                break;
+            case 11:
+                if (!base.slice_from("ive"))
+                {
+                    return false;
+                }
+                break;
+            case 12:
+                if (!base.slice_from("ble"))
+                {
+                    return false;
+                }
+                break;
+            case 13:
+                if (!base.slice_from("og"))
+                {
+                    return false;
+                }
+                break;
+            case 14:
+                if (!(base.eq_s_b("l")))
+                {
+                    return false;
+                }
+                if (!base.slice_from("og"))
+                {
+                    return false;
+                }
+                break;
+            case 15:
+                if (!base.slice_from("less"))
+                {
+                    return false;
+                }
+                break;
+            case 16:
+                if (!(base.in_grouping_b(g_valid_LI, 99, 116)))
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_3() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_8);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R1())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("tion"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("ate"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("al"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("ic"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!r_R2())
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_4() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_9);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        if (!r_R2())
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                lab0: {
+                    /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+                    lab1: {
+                        if (!(base.eq_s_b("s")))
+                        {
+                            break lab1;
+                        }
+                        break lab0;
+                    }
+                    base.cursor = base.limit - v_1;
+                    if (!(base.eq_s_b("t")))
+                    {
+                        return false;
+                    }
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_Step_5() {
+        var /** number */ among_var;
+        base.ket = base.cursor;
+        among_var = base.find_among_b(a_10);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.bra = base.cursor;
+        switch (among_var) {
+            case 1:
+                lab0: {
+                    lab1: {
+                        if (!r_R2())
+                        {
+                            break lab1;
+                        }
+                        break lab0;
+                    }
+                    if (!r_R1())
+                    {
+                        return false;
+                    }
+                    {
+                        /** @const */ var /** number */ v_1 = base.limit - base.cursor;
+                        lab2: {
+                            if (!r_shortv())
+                            {
+                                break lab2;
+                            }
+                            return false;
+                        }
+                        base.cursor = base.limit - v_1;
+                    }
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!r_R2())
+                {
+                    return false;
+                }
+                if (!(base.eq_s_b("l")))
+                {
+                    return false;
+                }
+                if (!base.slice_del())
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_exception1() {
+        var /** number */ among_var;
+        base.bra = base.cursor;
+        among_var = base.find_among(a_11);
+        if (among_var == 0)
+        {
+            return false;
+        }
+        base.ket = base.cursor;
+        if (base.cursor < base.limit)
+        {
+            return false;
+        }
+        switch (among_var) {
+            case 1:
+                if (!base.slice_from("sky"))
+                {
+                    return false;
+                }
+                break;
+            case 2:
+                if (!base.slice_from("idl"))
+                {
+                    return false;
+                }
+                break;
+            case 3:
+                if (!base.slice_from("gentl"))
+                {
+                    return false;
+                }
+                break;
+            case 4:
+                if (!base.slice_from("ugli"))
+                {
+                    return false;
+                }
+                break;
+            case 5:
+                if (!base.slice_from("earli"))
+                {
+                    return false;
+                }
+                break;
+            case 6:
+                if (!base.slice_from("onli"))
+                {
+                    return false;
+                }
+                break;
+            case 7:
+                if (!base.slice_from("singl"))
+                {
+                    return false;
+                }
+                break;
+        }
+        return true;
+    };
+
+    /** @return {boolean} */
+    function r_postlude() {
+        if (!B_Y_found)
+        {
+            return false;
+        }
+        while(true)
+        {
+            /** @const */ var /** number */ v_1 = base.cursor;
+            lab0: {
+                golab1: while(true)
+                {
+                    /** @const */ var /** number */ v_2 = base.cursor;
+                    lab2: {
+                        base.bra = base.cursor;
+                        if (!(base.eq_s("Y")))
+                        {
+                            break lab2;
+                        }
+                        base.ket = base.cursor;
+                        base.cursor = v_2;
+                        break golab1;
+                    }
+                    base.cursor = v_2;
+                    if (base.cursor >= base.limit)
+                    {
+                        break lab0;
+                    }
+                    base.cursor++;
+                }
+                if (!base.slice_from("y"))
+                {
+                    return false;
+                }
+                continue;
+            }
+            base.cursor = v_1;
+            break;
+        }
+        return true;
+    };
+
+    this.stem = /** @return {boolean} */ function() {
+        lab0: {
+            /** @const */ var /** number */ v_1 = base.cursor;
+            lab1: {
+                if (!r_exception1())
+                {
+                    break lab1;
+                }
+                break lab0;
+            }
+            base.cursor = v_1;
+            lab2: {
+                {
+                    /** @const */ var /** number */ v_2 = base.cursor;
+                    lab3: {
+                        {
+                            /** @const */ var /** number */ c1 = base.cursor + 3;
+                            if (c1 > base.limit)
+                            {
+                                break lab3;
+                            }
+                            base.cursor = c1;
+                        }
+                        break lab2;
+                    }
+                    base.cursor = v_2;
+                }
+                break lab0;
+            }
+            base.cursor = v_1;
+            r_prelude();
+            r_mark_regions();
+            base.limit_backward = base.cursor; base.cursor = base.limit;
+            /** @const */ var /** number */ v_3 = base.limit - base.cursor;
+            r_Step_1a();
+            base.cursor = base.limit - v_3;
+            /** @const */ var /** number */ v_4 = base.limit - base.cursor;
+            r_Step_1b();
+            base.cursor = base.limit - v_4;
+            /** @const */ var /** number */ v_5 = base.limit - base.cursor;
+            r_Step_1c();
+            base.cursor = base.limit - v_5;
+            /** @const */ var /** number */ v_6 = base.limit - base.cursor;
+            r_Step_2();
+            base.cursor = base.limit - v_6;
+            /** @const */ var /** number */ v_7 = base.limit - base.cursor;
+            r_Step_3();
+            base.cursor = base.limit - v_7;
+            /** @const */ var /** number */ v_8 = base.limit - base.cursor;
+            r_Step_4();
+            base.cursor = base.limit - v_8;
+            /** @const */ var /** number */ v_9 = base.limit - base.cursor;
+            r_Step_5();
+            base.cursor = base.limit - v_9;
+            base.cursor = base.limit_backward;
+            /** @const */ var /** number */ v_10 = base.cursor;
+            r_postlude();
+            base.cursor = v_10;
+        }
+        return true;
+    };
+
+    /**@return{string}*/
+    this['stemWord'] = function(/**string*/word) {
+        base.setCurrent(word);
+        this.stem();
+        return base.getCurrent();
+    };
+};
diff --git a/docs/python/_static/jquery.js b/docs/python/_static/jquery.js
index b0614034..c4c6022f 100644
--- a/docs/python/_static/jquery.js
+++ b/docs/python/_static/jquery.js
@@ -1,2 +1,2 @@
-/*! jQuery v3.5.1 | (c) JS Foundation and other contributors | jquery.org/license */
-!function(e,t){"use strict";"object"==typeof module&&"object"==typeof module.exports?module.exports=e.document?t(e,!0):function(e){if(!e.document)throw new Error("jQuery requires a window with a document");return t(e)}:t(e)}("undefined"!=typeof window?window:this,function(C,e){"use strict";var t=[],r=Object.getPrototypeOf,s=t.slice,g=t.flat?function(e){return t.flat.call(e)}:function(e){return t.concat.apply([],e)},u=t.push,i=t.indexOf,n={},o=n.toString,v=n.hasOwnProperty,a=v.toString,l=a.call(Object),y={},m=function(e){return"function"==typeof e&&"number"!=typeof e.nodeType},x=function(e){return null!=e&&e===e.window},E=C.document,c={type:!0,src:!0,nonce:!0,noModule:!0};function b(e,t,n){var r,i,o=(n=n||E).createElement("script");if(o.text=e,t)for(r in c)(i=t[r]||t.getAttribute&&t.getAttribute(r))&&o.setAttribute(r,i);n.head.appendChild(o).parentNode.removeChild(o)}function w(e){return null==e?e+"":"object"==typeof e||"function"==typeof e?n[o.call(e)]||"object":typeof e}var f="3.5.1",S=function(e,t){return new S.fn.init(e,t)};function p(e){var t=!!e&&"length"in e&&e.length,n=w(e);return!m(e)&&!x(e)&&("array"===n||0===t||"number"==typeof t&&0<t&&t-1 in e)}S.fn=S.prototype={jquery:f,constructor:S,length:0,toArray:function(){return s.call(this)},get:function(e){return null==e?s.call(this):e<0?this[e+this.length]:this[e]},pushStack:function(e){var t=S.merge(this.constructor(),e);return t.prevObject=this,t},each:function(e){return S.each(this,e)},map:function(n){return this.pushStack(S.map(this,function(e,t){return n.call(e,t,e)}))},slice:function(){return this.pushStack(s.apply(this,arguments))},first:function(){return this.eq(0)},last:function(){return this.eq(-1)},even:function(){return this.pushStack(S.grep(this,function(e,t){return(t+1)%2}))},odd:function(){return this.pushStack(S.grep(this,function(e,t){return t%2}))},eq:function(e){var t=this.length,n=+e+(e<0?t:0);return this.pushStack(0<=n&&n<t?[this[n]]:[])},end:function(){return 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diff --git a/docs/python/_static/js/versions.js b/docs/python/_static/js/versions.js
new file mode 100644
index 00000000..4958195e
--- /dev/null
+++ b/docs/python/_static/js/versions.js
@@ -0,0 +1,228 @@
+const themeFlyoutDisplay = "hidden";
+const themeVersionSelector = true;
+const themeLanguageSelector = true;
+
+if (themeFlyoutDisplay === "attached") {
+  function renderLanguages(config) {
+    if (!config.projects.translations.length) {
+      return "";
+    }
+
+    // Insert the current language to the options on the selector
+    let languages = config.projects.translations.concat(config.projects.current);
+    languages = languages.sort((a, b) => a.language.name.localeCompare(b.language.name));
+
+    const languagesHTML = `
+      <dl>
+        <dt>Languages</dt>
+        ${languages
+          .map(
+            (translation) => `
+        <dd ${translation.slug == config.projects.current.slug ? 'class="rtd-current-item"' : ""}>
+          <a href="${translation.urls.documentation}">${translation.language.code}</a>
+        </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return languagesHTML;
+  }
+
+  function renderVersions(config) {
+    if (!config.versions.active.length) {
+      return "";
+    }
+    const versionsHTML = `
+      <dl>
+        <dt>Versions</dt>
+        ${config.versions.active
+          .map(
+            (version) => `
+        <dd ${version.slug === config.versions.current.slug ? 'class="rtd-current-item"' : ""}>
+          <a href="${version.urls.documentation}">${version.slug}</a>
+        </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return versionsHTML;
+  }
+
+  function renderDownloads(config) {
+    if (!Object.keys(config.versions.current.downloads).length) {
+      return "";
+    }
+    const downloadsNameDisplay = {
+      pdf: "PDF",
+      epub: "Epub",
+      htmlzip: "HTML",
+    };
+
+    const downloadsHTML = `
+      <dl>
+        <dt>Downloads</dt>
+        ${Object.entries(config.versions.current.downloads)
+          .map(
+            ([name, url]) => `
+          <dd>
+            <a href="${url}">${downloadsNameDisplay[name]}</a>
+          </dd>
+        `,
+          )
+          .join("\n")}
+      </dl>
+    `;
+    return downloadsHTML;
+  }
+
+  document.addEventListener("readthedocs-addons-data-ready", function (event) {
+    const config = event.detail.data();
+
+    const flyout = `
+      <div class="rst-versions" data-toggle="rst-versions" role="note">
+        <span class="rst-current-version" data-toggle="rst-current-version">
+          <span class="fa fa-book"> Read the Docs</span>
+          v: ${config.versions.current.slug}
+          <span class="fa fa-caret-down"></span>
+        </span>
+        <div class="rst-other-versions">
+          <div class="injected">
+            ${renderLanguages(config)}
+            ${renderVersions(config)}
+            ${renderDownloads(config)}
+            <dl>
+              <dt>On Read the Docs</dt>
+              <dd>
+                <a href="${config.projects.current.urls.home}">Project Home</a>
+              </dd>
+              <dd>
+                <a href="${config.projects.current.urls.builds}">Builds</a>
+              </dd>
+              <dd>
+                <a href="${config.projects.current.urls.downloads}">Downloads</a>
+              </dd>
+            </dl>
+            <dl>
+              <dt>Search</dt>
+              <dd>
+                <form id="flyout-search-form">
+                  <input
+                    class="wy-form"
+                    type="text"
+                    name="q"
+                    aria-label="Search docs"
+                    placeholder="Search docs"
+                    />
+                </form>
+              </dd>
+            </dl>
+            <hr />
+            <small>
+              <span>Hosted by <a href="https://about.readthedocs.org/?utm_source=&utm_content=flyout">Read the Docs</a></span>
+            </small>
+          </div>
+        </div>
+    `;
+
+    // Inject the generated flyout into the body HTML element.
+    document.body.insertAdjacentHTML("beforeend", flyout);
+
+    // Trigger the Read the Docs Addons Search modal when clicking on the "Search docs" input from inside the flyout.
+    document
+      .querySelector("#flyout-search-form")
+      .addEventListener("focusin", () => {
+        const event = new CustomEvent("readthedocs-search-show");
+        document.dispatchEvent(event);
+      });
+  })
+}
+
+if (themeLanguageSelector || themeVersionSelector) {
+  function onSelectorSwitch(event) {
+    const option = event.target.selectedIndex;
+    const item = event.target.options[option];
+    window.location.href = item.dataset.url;
+  }
+
+  document.addEventListener("readthedocs-addons-data-ready", function (event) {
+    const config = event.detail.data();
+
+    const versionSwitch = document.querySelector(
+      "div.switch-menus > div.version-switch",
+    );
+    if (themeVersionSelector) {
+      let versions = config.versions.active;
+      if (config.versions.current.hidden || config.versions.current.type === "external") {
+        versions.unshift(config.versions.current);
+      }
+      const versionSelect = `
+    <select>
+      ${versions
+        .map(
+          (version) => `
+        <option
+  value="${version.slug}"
+  ${config.versions.current.slug === version.slug ? 'selected="selected"' : ""}
+              data-url="${version.urls.documentation}">
+              ${version.slug}
+          </option>`,
+        )
+        .join("\n")}
+    </select>
+  `;
+
+      versionSwitch.innerHTML = versionSelect;
+      versionSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+    }
+
+    const languageSwitch = document.querySelector(
+      "div.switch-menus > div.language-switch",
+    );
+
+    if (themeLanguageSelector) {
+      if (config.projects.translations.length) {
+        // Add the current language to the options on the selector
+        let languages = config.projects.translations.concat(
+          config.projects.current,
+        );
+        languages = languages.sort((a, b) =>
+          a.language.name.localeCompare(b.language.name),
+        );
+
+        const languageSelect = `
+      <select>
+        ${languages
+          .map(
+            (language) => `
+              <option
+                  value="${language.language.code}"
+                  ${config.projects.current.slug === language.slug ? 'selected="selected"' : ""}
+                  data-url="${language.urls.documentation}">
+                  ${language.language.name}
+              </option>`,
+          )
+          .join("\n")}
+       </select>
+    `;
+
+        languageSwitch.innerHTML = languageSelect;
+        languageSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+      }
+      else {
+        languageSwitch.remove();
+      }
+    }
+  });
+}
+
+document.addEventListener("readthedocs-addons-data-ready", function (event) {
+  // Trigger the Read the Docs Addons Search modal when clicking on "Search docs" input from the topnav.
+  document
+    .querySelector("[role='search'] input")
+    .addEventListener("focusin", () => {
+      const event = new CustomEvent("readthedocs-search-show");
+      document.dispatchEvent(event);
+    });
+});
\ No newline at end of file
diff --git a/docs/python/_static/language_data.js b/docs/python/_static/language_data.js
index 863704b3..57767864 100644
--- a/docs/python/_static/language_data.js
+++ b/docs/python/_static/language_data.js
@@ -1,297 +1,13 @@
 /*
- * language_data.js
- * ~~~~~~~~~~~~~~~~
- *
  * This script contains the language-specific data used by searchtools.js,
- * namely the list of stopwords, stemmer, scorer and splitter.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
+ * namely the set of stopwords, stemmer, scorer and splitter.
  */
 
-var stopwords = ["a","and","are","as","at","be","but","by","for","if","in","into","is","it","near","no","not","of","on","or","such","that","the","their","then","there","these","they","this","to","was","will","with"];
-
-
-/* Non-minified version is copied as a separate JS file, is available */
-
-/**
- * Porter Stemmer
- */
-var Stemmer = function() {
-
-  var step2list = {
-    ational: 'ate',
-    tional: 'tion',
-    enci: 'ence',
-    anci: 'ance',
-    izer: 'ize',
-    bli: 'ble',
-    alli: 'al',
-    entli: 'ent',
-    eli: 'e',
-    ousli: 'ous',
-    ization: 'ize',
-    ation: 'ate',
-    ator: 'ate',
-    alism: 'al',
-    iveness: 'ive',
-    fulness: 'ful',
-    ousness: 'ous',
-    aliti: 'al',
-    iviti: 'ive',
-    biliti: 'ble',
-    logi: 'log'
-  };
-
-  var step3list = {
-    icate: 'ic',
-    ative: '',
-    alize: 'al',
-    iciti: 'ic',
-    ical: 'ic',
-    ful: '',
-    ness: ''
-  };
-
-  var c = "[^aeiou]";          // consonant
-  var v = "[aeiouy]";          // vowel
-  var C = c + "[^aeiouy]*";    // consonant sequence
-  var V = v + "[aeiou]*";      // vowel sequence
-
-  var mgr0 = "^(" + C + ")?" + V + C;                      // [C]VC... is m>0
-  var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$";    // [C]VC[V] is m=1
-  var mgr1 = "^(" + C + ")?" + V + C + V + C;              // [C]VCVC... is m>1
-  var s_v   = "^(" + C + ")?" + v;                         // vowel in stem
-
-  this.stemWord = function (w) {
-    var stem;
-    var suffix;
-    var firstch;
-    var origword = w;
-
-    if (w.length < 3)
-      return w;
-
-    var re;
-    var re2;
-    var re3;
-    var re4;
-
-    firstch = w.substr(0,1);
-    if (firstch == "y")
-      w = firstch.toUpperCase() + w.substr(1);
-
-    // Step 1a
-    re = /^(.+?)(ss|i)es$/;
-    re2 = /^(.+?)([^s])s$/;
-
-    if (re.test(w))
-      w = w.replace(re,"$1$2");
-    else if (re2.test(w))
-      w = w.replace(re2,"$1$2");
-
-    // Step 1b
-    re = /^(.+?)eed$/;
-    re2 = /^(.+?)(ed|ing)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      re = new RegExp(mgr0);
-      if (re.test(fp[1])) {
-        re = /.$/;
-        w = w.replace(re,"");
-      }
-    }
-    else if (re2.test(w)) {
-      var fp = re2.exec(w);
-      stem = fp[1];
-      re2 = new RegExp(s_v);
-      if (re2.test(stem)) {
-        w = stem;
-        re2 = /(at|bl|iz)$/;
-        re3 = new RegExp("([^aeiouylsz])\\1$");
-        re4 = new RegExp("^" + C + v + "[^aeiouwxy]$");
-        if (re2.test(w))
-          w = w + "e";
-        else if (re3.test(w)) {
-          re = /.$/;
-          w = w.replace(re,"");
-        }
-        else if (re4.test(w))
-          w = w + "e";
-      }
-    }
-
-    // Step 1c
-    re = /^(.+?)y$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(s_v);
-      if (re.test(stem))
-        w = stem + "i";
-    }
-
-    // Step 2
-    re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      suffix = fp[2];
-      re = new RegExp(mgr0);
-      if (re.test(stem))
-        w = stem + step2list[suffix];
-    }
-
-    // Step 3
-    re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      suffix = fp[2];
-      re = new RegExp(mgr0);
-      if (re.test(stem))
-        w = stem + step3list[suffix];
-    }
-
-    // Step 4
-    re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/;
-    re2 = /^(.+?)(s|t)(ion)$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(mgr1);
-      if (re.test(stem))
-        w = stem;
-    }
-    else if (re2.test(w)) {
-      var fp = re2.exec(w);
-      stem = fp[1] + fp[2];
-      re2 = new RegExp(mgr1);
-      if (re2.test(stem))
-        w = stem;
-    }
-
-    // Step 5
-    re = /^(.+?)e$/;
-    if (re.test(w)) {
-      var fp = re.exec(w);
-      stem = fp[1];
-      re = new RegExp(mgr1);
-      re2 = new RegExp(meq1);
-      re3 = new RegExp("^" + C + v + "[^aeiouwxy]$");
-      if (re.test(stem) || (re2.test(stem) && !(re3.test(stem))))
-        w = stem;
-    }
-    re = /ll$/;
-    re2 = new RegExp(mgr1);
-    if (re.test(w) && re2.test(w)) {
-      re = /.$/;
-      w = w.replace(re,"");
-    }
-
-    // and turn initial Y back to y
-    if (firstch == "y")
-      w = firstch.toLowerCase() + w.substr(1);
-    return w;
-  }
-}
-
-
-
-
-var splitChars = (function() {
-    var result = {};
-    var singles = [96, 180, 187, 191, 215, 247, 749, 885, 903, 907, 909, 930, 1014, 1648,
-         1748, 1809, 2416, 2473, 2481, 2526, 2601, 2609, 2612, 2615, 2653, 2702,
-         2706, 2729, 2737, 2740, 2857, 2865, 2868, 2910, 2928, 2948, 2961, 2971,
-         2973, 3085, 3089, 3113, 3124, 3213, 3217, 3241, 3252, 3295, 3341, 3345,
-         3369, 3506, 3516, 3633, 3715, 3721, 3736, 3744, 3748, 3750, 3756, 3761,
-         3781, 3912, 4239, 4347, 4681, 4695, 4697, 4745, 4785, 4799, 4801, 4823,
-         4881, 5760, 5901, 5997, 6313, 7405, 8024, 8026, 8028, 8030, 8117, 8125,
-         8133, 8181, 8468, 8485, 8487, 8489, 8494, 8527, 11311, 11359, 11687, 11695,
-         11703, 11711, 11719, 11727, 11735, 12448, 12539, 43010, 43014, 43019, 43587,
-         43696, 43713, 64286, 64297, 64311, 64317, 64319, 64322, 64325, 65141];
-    var i, j, start, end;
-    for (i = 0; i < singles.length; i++) {
-        result[singles[i]] = true;
-    }
-    var ranges = [[0, 47], [58, 64], [91, 94], [123, 169], [171, 177], [182, 184], [706, 709],
-         [722, 735], [741, 747], [751, 879], [888, 889], [894, 901], [1154, 1161],
-         [1318, 1328], [1367, 1368], [1370, 1376], [1416, 1487], [1515, 1519], [1523, 1568],
-         [1611, 1631], [1642, 1645], [1750, 1764], [1767, 1773], [1789, 1790], [1792, 1807],
-         [1840, 1868], [1958, 1968], [1970, 1983], [2027, 2035], [2038, 2041], [2043, 2047],
-         [2070, 2073], [2075, 2083], [2085, 2087], [2089, 2307], [2362, 2364], [2366, 2383],
-         [2385, 2391], [2402, 2405], [2419, 2424], [2432, 2436], [2445, 2446], [2449, 2450],
-         [2483, 2485], [2490, 2492], [2494, 2509], [2511, 2523], [2530, 2533], [2546, 2547],
-         [2554, 2564], [2571, 2574], [2577, 2578], [2618, 2648], [2655, 2661], [2672, 2673],
-         [2677, 2692], [2746, 2748], [2750, 2767], [2769, 2783], [2786, 2789], [2800, 2820],
-         [2829, 2830], [2833, 2834], [2874, 2876], [2878, 2907], [2914, 2917], [2930, 2946],
-         [2955, 2957], [2966, 2968], [2976, 2978], [2981, 2983], [2987, 2989], [3002, 3023],
-         [3025, 3045], [3059, 3076], [3130, 3132], [3134, 3159], [3162, 3167], [3170, 3173],
-         [3184, 3191], [3199, 3204], [3258, 3260], [3262, 3293], [3298, 3301], [3312, 3332],
-         [3386, 3388], [3390, 3423], [3426, 3429], [3446, 3449], [3456, 3460], [3479, 3481],
-         [3518, 3519], [3527, 3584], [3636, 3647], [3655, 3663], [3674, 3712], [3717, 3718],
-         [3723, 3724], [3726, 3731], [3752, 3753], [3764, 3772], [3774, 3775], [3783, 3791],
-         [3802, 3803], [3806, 3839], [3841, 3871], [3892, 3903], [3949, 3975], [3980, 4095],
-         [4139, 4158], [4170, 4175], [4182, 4185], [4190, 4192], [4194, 4196], [4199, 4205],
-         [4209, 4212], [4226, 4237], [4250, 4255], [4294, 4303], [4349, 4351], [4686, 4687],
-         [4702, 4703], [4750, 4751], [4790, 4791], [4806, 4807], [4886, 4887], [4955, 4968],
-         [4989, 4991], [5008, 5023], [5109, 5120], [5741, 5742], [5787, 5791], [5867, 5869],
-         [5873, 5887], [5906, 5919], [5938, 5951], [5970, 5983], [6001, 6015], [6068, 6102],
-         [6104, 6107], [6109, 6111], [6122, 6127], [6138, 6159], [6170, 6175], [6264, 6271],
-         [6315, 6319], [6390, 6399], [6429, 6469], [6510, 6511], [6517, 6527], [6572, 6592],
-         [6600, 6607], [6619, 6655], [6679, 6687], [6741, 6783], [6794, 6799], [6810, 6822],
-         [6824, 6916], [6964, 6980], [6988, 6991], [7002, 7042], [7073, 7085], [7098, 7167],
-         [7204, 7231], [7242, 7244], [7294, 7400], [7410, 7423], [7616, 7679], [7958, 7959],
-         [7966, 7967], [8006, 8007], [8014, 8015], [8062, 8063], [8127, 8129], [8141, 8143],
-         [8148, 8149], [8156, 8159], [8173, 8177], [8189, 8303], [8306, 8307], [8314, 8318],
-         [8330, 8335], [8341, 8449], [8451, 8454], [8456, 8457], [8470, 8472], [8478, 8483],
-         [8506, 8507], [8512, 8516], [8522, 8525], [8586, 9311], [9372, 9449], [9472, 10101],
-         [10132, 11263], [11493, 11498], [11503, 11516], [11518, 11519], [11558, 11567],
-         [11622, 11630], [11632, 11647], [11671, 11679], [11743, 11822], [11824, 12292],
-         [12296, 12320], [12330, 12336], [12342, 12343], [12349, 12352], [12439, 12444],
-         [12544, 12548], [12590, 12592], [12687, 12689], [12694, 12703], [12728, 12783],
-         [12800, 12831], [12842, 12880], [12896, 12927], [12938, 12976], [12992, 13311],
-         [19894, 19967], [40908, 40959], [42125, 42191], [42238, 42239], [42509, 42511],
-         [42540, 42559], [42592, 42593], [42607, 42622], [42648, 42655], [42736, 42774],
-         [42784, 42785], [42889, 42890], [42893, 43002], [43043, 43055], [43062, 43071],
-         [43124, 43137], [43188, 43215], [43226, 43249], [43256, 43258], [43260, 43263],
-         [43302, 43311], [43335, 43359], [43389, 43395], [43443, 43470], [43482, 43519],
-         [43561, 43583], [43596, 43599], [43610, 43615], [43639, 43641], [43643, 43647],
-         [43698, 43700], [43703, 43704], [43710, 43711], [43715, 43738], [43742, 43967],
-         [44003, 44015], [44026, 44031], [55204, 55215], [55239, 55242], [55292, 55295],
-         [57344, 63743], [64046, 64047], [64110, 64111], [64218, 64255], [64263, 64274],
-         [64280, 64284], [64434, 64466], [64830, 64847], [64912, 64913], [64968, 65007],
-         [65020, 65135], [65277, 65295], [65306, 65312], [65339, 65344], [65371, 65381],
-         [65471, 65473], [65480, 65481], [65488, 65489], [65496, 65497]];
-    for (i = 0; i < ranges.length; i++) {
-        start = ranges[i][0];
-        end = ranges[i][1];
-        for (j = start; j <= end; j++) {
-            result[j] = true;
-        }
-    }
-    return result;
-})();
-
-function splitQuery(query) {
-    var result = [];
-    var start = -1;
-    for (var i = 0; i < query.length; i++) {
-        if (splitChars[query.charCodeAt(i)]) {
-            if (start !== -1) {
-                result.push(query.slice(start, i));
-                start = -1;
-            }
-        } else if (start === -1) {
-            start = i;
-        }
-    }
-    if (start !== -1) {
-        result.push(query.slice(start));
-    }
-    return result;
-}
+const stopwords = new Set(["a", "about", "above", "after", "again", "against", "all", "am", "an", "and", "any", "are", "aren't", "as", "at", "be", "because", "been", "before", "being", "below", "between", "both", "but", "by", "can't", "cannot", "could", "couldn't", "did", "didn't", "do", "does", "doesn't", "doing", "don't", "down", "during", "each", "few", "for", "from", "further", "had", "hadn't", "has", "hasn't", "have", "haven't", "having", "he", "he'd", "he'll", "he's", "her", "here", "here's", "hers", "herself", "him", "himself", "his", "how", "how's", "i", "i'd", "i'll", "i'm", "i've", "if", "in", "into", "is", "isn't", "it", "it's", "its", "itself", "let's", "me", "more", "most", "mustn't", "my", "myself", "no", "nor", "not", "of", "off", "on", "once", "only", "or", "other", "ought", "our", "ours", "ourselves", "out", "over", "own", "same", "shan't", "she", "she'd", "she'll", "she's", "should", "shouldn't", "so", "some", "such", "than", "that", "that's", "the", "their", "theirs", "them", "themselves", "then", "there", "there's", "these", "they", "they'd", "they'll", "they're", "they've", "this", "those", "through", "to", "too", "under", "until", "up", "very", "was", "wasn't", "we", "we'd", "we'll", "we're", "we've", "were", "weren't", "what", "what's", "when", "when's", "where", "where's", "which", "while", "who", "who's", "whom", "why", "why's", "with", "won't", "would", "wouldn't", "you", "you'd", "you'll", "you're", "you've", "your", "yours", "yourself", "yourselves"]);
+window.stopwords = stopwords;  // Export to global scope
 
 
+/* Non-minified versions are copied as separate JavaScript files, if available */
+BaseStemmer=function(){this.current="",this.cursor=0,this.limit=0,this.limit_backward=0,this.bra=0,this.ket=0,this.setCurrent=function(t){this.current=t,this.cursor=0,this.limit=this.current.length,this.limit_backward=0,this.bra=this.cursor,this.ket=this.limit},this.getCurrent=function(){return this.current},this.copy_from=function(t){this.current=t.current,this.cursor=t.cursor,this.limit=t.limit,this.limit_backward=t.limit_backward,this.bra=t.bra,this.ket=t.ket},this.in_grouping=function(t,r,i){return!(this.cursor>=this.limit||i<(i=this.current.charCodeAt(this.cursor))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i))||(this.cursor++,0))},this.go_in_grouping=function(t,r,i){for(;this.cursor<this.limit;){var s=this.current.charCodeAt(this.cursor);if(i<s||s<r)return!0;if(0==(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.in_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward||i<(i=this.current.charCodeAt(this.cursor-1))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i))||(this.cursor--,0))},this.go_in_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(i<s||s<r)return!0;if(0==(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.out_grouping=function(t,r,i){return!(this.cursor>=this.limit)&&(i<(i=this.current.charCodeAt(this.cursor))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i)))&&(this.cursor++,!0)},this.go_out_grouping=function(t,r,i){for(;this.cursor<this.limit;){var s=this.current.charCodeAt(this.cursor);if(s<=i&&r<=s&&0!=(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.out_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward)&&(i<(i=this.current.charCodeAt(this.cursor-1))||i<r||0==(t[(i-=r)>>>3]&1<<(7&i)))&&(this.cursor--,!0)},this.go_out_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(s<=i&&r<=s&&0!=(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.eq_s=function(t){return!(this.limit-this.cursor<t.length||this.current.slice(this.cursor,this.cursor+t.length)!=t||(this.cursor+=t.length,0))},this.eq_s_b=function(t){return!(this.cursor-this.limit_backward<t.length||this.current.slice(this.cursor-t.length,this.cursor)!=t||(this.cursor-=t.length,0))},this.find_among=function(t){for(var r=0,i=t.length,s=this.cursor,h=this.limit,e=0,n=0,c=!1;;){for(var u=r+(i-r>>>1),o=0,a=e<n?e:n,l=t[u],f=a;f<l[0].length;f++){if(s+a==h){o=-1;break}if(0!=(o=this.current.charCodeAt(s+a)-l[0].charCodeAt(f)))break;a++}if(o<0?(i=u,n=a):(r=u,e=a),i-r<=1){if(0<r)break;if(i==r)break;if(c)break;c=!0}}do{if(e>=(l=t[r])[0].length){if(this.cursor=s+l[0].length,l.length<4)return l[2];var g=l[3](this);if(this.cursor=s+l[0].length,g)return l[2]}}while(0<=(r=l[1]));return 0},this.find_among_b=function(t){for(var r=0,i=t.length,s=this.cursor,h=this.limit_backward,e=0,n=0,c=!1;;){for(var u,o=r+(i-r>>1),a=0,l=e<n?e:n,f=(u=t[o])[0].length-1-l;0<=f;f--){if(s-l==h){a=-1;break}if(0!=(a=this.current.charCodeAt(s-1-l)-u[0].charCodeAt(f)))break;l++}if(a<0?(i=o,n=l):(r=o,e=l),i-r<=1){if(0<r)break;if(i==r)break;if(c)break;c=!0}}do{if(e>=(u=t[r])[0].length){if(this.cursor=s-u[0].length,u.length<4)return u[2];var g=u[3](this);if(this.cursor=s-u[0].length,g)return u[2]}}while(0<=(r=u[1]));return 0},this.replace_s=function(t,r,i){var s=i.length-(r-t);return this.current=this.current.slice(0,t)+i+this.current.slice(r),this.limit+=s,this.cursor>=r?this.cursor+=s:this.cursor>t&&(this.cursor=t),s},this.slice_check=function(){return!(this.bra<0||this.bra>this.ket||this.ket>this.limit||this.limit>this.current.length)},this.slice_from=function(t){var r=!1;return this.slice_check()&&(this.replace_s(this.bra,this.ket,t),r=!0),r},this.slice_del=function(){return this.slice_from("")},this.insert=function(t,r,i){r=this.replace_s(t,r,i);t<=this.bra&&(this.bra+=r),t<=this.ket&&(this.ket+=r)},this.slice_to=function(){var t="";return t=this.slice_check()?this.current.slice(this.bra,this.ket):t},this.assign_to=function(){return this.current.slice(0,this.limit)}};
+var EnglishStemmer=function(){var a=new BaseStemmer,c=[["arsen",-1,-1],["commun",-1,-1],["emerg",-1,-1],["gener",-1,-1],["later",-1,-1],["organ",-1,-1],["past",-1,-1],["univers",-1,-1]],o=[["'",-1,1],["'s'",0,1],["'s",-1,1]],u=[["ied",-1,2],["s",-1,3],["ies",1,2],["sses",1,1],["ss",1,-1],["us",1,-1]],t=[["succ",-1,1],["proc",-1,1],["exc",-1,1]],l=[["even",-1,2],["cann",-1,2],["inn",-1,2],["earr",-1,2],["herr",-1,2],["out",-1,2],["y",-1,1]],n=[["",-1,-1],["ed",0,2],["eed",1,1],["ing",0,3],["edly",0,2],["eedly",4,1],["ingly",0,2]],f=[["",-1,3],["bb",0,2],["dd",0,2],["ff",0,2],["gg",0,2],["bl",0,1],["mm",0,2],["nn",0,2],["pp",0,2],["rr",0,2],["at",0,1],["tt",0,2],["iz",0,1]],_=[["anci",-1,3],["enci",-1,2],["ogi",-1,14],["li",-1,16],["bli",3,12],["abli",4,4],["alli",3,8],["fulli",3,9],["lessli",3,15],["ousli",3,10],["entli",3,5],["aliti",-1,8],["biliti",-1,12],["iviti",-1,11],["tional",-1,1],["ational",14,7],["alism",-1,8],["ation",-1,7],["ization",17,6],["izer",-1,6],["ator",-1,7],["iveness",-1,11],["fulness",-1,9],["ousness",-1,10],["ogist",-1,13]],m=[["icate",-1,4],["ative",-1,6],["alize",-1,3],["iciti",-1,4],["ical",-1,4],["tional",-1,1],["ational",5,2],["ful",-1,5],["ness",-1,5]],b=[["ic",-1,1],["ance",-1,1],["ence",-1,1],["able",-1,1],["ible",-1,1],["ate",-1,1],["ive",-1,1],["ize",-1,1],["iti",-1,1],["al",-1,1],["ism",-1,1],["ion",-1,2],["er",-1,1],["ous",-1,1],["ant",-1,1],["ent",-1,1],["ment",15,1],["ement",16,1]],k=[["e",-1,1],["l",-1,2]],g=[["andes",-1,-1],["atlas",-1,-1],["bias",-1,-1],["cosmos",-1,-1],["early",-1,5],["gently",-1,3],["howe",-1,-1],["idly",-1,2],["news",-1,-1],["only",-1,6],["singly",-1,7],["skies",-1,1],["sky",-1,-1],["ugly",-1,4]],d=[17,64],v=[17,65,16,1],i=[1,17,65,208,1],w=[55,141,2],p=!1,y=0,h=0;function q(){var r=a.limit-a.cursor;return!!(a.out_grouping_b(i,89,121)&&a.in_grouping_b(v,97,121)&&a.out_grouping_b(v,97,121)||(a.cursor=a.limit-r,a.out_grouping_b(v,97,121)&&a.in_grouping_b(v,97,121)&&!(a.cursor>a.limit_backward))||(a.cursor=a.limit-r,a.eq_s_b("past")))}function z(){return h<=a.cursor}function Y(){return y<=a.cursor}this.stem=function(){var r=a.cursor;if(!(()=>{var r;if(a.bra=a.cursor,0!=(r=a.find_among(g))&&(a.ket=a.cursor,!(a.cursor<a.limit))){switch(r){case 1:if(a.slice_from("sky"))break;return;case 2:if(a.slice_from("idl"))break;return;case 3:if(a.slice_from("gentl"))break;return;case 4:if(a.slice_from("ugli"))break;return;case 5:if(a.slice_from("earli"))break;return;case 6:if(a.slice_from("onli"))break;return;case 7:if(a.slice_from("singl"))break;return}return 1}})()){a.cursor=r;var i=a.cursor,e=a.cursor+3;if(e>a.limit)a.cursor=i;else{a.cursor=e,a.cursor=r,(()=>{p=!1;var r=a.cursor;if(a.bra=a.cursor,!a.eq_s("'")||(a.ket=a.cursor,a.slice_del())){a.cursor=r;r=a.cursor;if(a.bra=a.cursor,a.eq_s("y")){if(a.ket=a.cursor,!a.slice_from("Y"))return;p=!0}a.cursor=r;for(r=a.cursor;;){var i=a.cursor;r:{for(;;){var e=a.cursor;if(a.in_grouping(v,97,121)&&(a.bra=a.cursor,a.eq_s("y"))){a.ket=a.cursor,a.cursor=e;break}if(a.cursor=e,a.cursor>=a.limit)break r;a.cursor++}if(!a.slice_from("Y"))return;p=!0;continue}a.cursor=i;break}a.cursor=r}})(),h=a.limit,y=a.limit;i=a.cursor;r:{var s=a.cursor;if(0==a.find_among(c)){if(a.cursor=s,!a.go_out_grouping(v,97,121))break r;if(a.cursor++,!a.go_in_grouping(v,97,121))break r;a.cursor++}h=a.cursor,a.go_out_grouping(v,97,121)&&(a.cursor++,a.go_in_grouping(v,97,121))&&(a.cursor++,y=a.cursor)}a.cursor=i,a.limit_backward=a.cursor,a.cursor=a.limit;var e=a.limit-a.cursor,r=((()=>{var r=a.limit-a.cursor;if(a.ket=a.cursor,0==a.find_among_b(o))a.cursor=a.limit-r;else if(a.bra=a.cursor,!a.slice_del())return;if(a.ket=a.cursor,0!=(r=a.find_among_b(u)))switch(a.bra=a.cursor,r){case 1:if(a.slice_from("ss"))break;return;case 2:r:{var i=a.limit-a.cursor,e=a.cursor-2;if(!(e<a.limit_backward)){if(a.cursor=e,a.slice_from("i"))break r;return}if(a.cursor=a.limit-i,!a.slice_from("ie"))return}break;case 3:if(a.cursor<=a.limit_backward)return;if(a.cursor--,!a.go_out_grouping_b(v,97,121))return;if(a.cursor--,a.slice_del())break}})(),a.cursor=a.limit-e,a.limit-a.cursor),i=((()=>{a.ket=a.cursor,o=a.find_among_b(n),a.bra=a.cursor;r:{var r=a.limit-a.cursor;i:{switch(o){case 1:var i=a.limit-a.cursor;e:{var e=a.limit-a.cursor;if(0==a.find_among_b(t)||a.cursor>a.limit_backward){if(a.cursor=a.limit-e,!z())break e;if(!a.slice_from("ee"))return}}a.cursor=a.limit-i;break;case 2:break i;case 3:if(0==(o=a.find_among_b(l)))break i;switch(o){case 1:var s=a.limit-a.cursor;if(!a.out_grouping_b(v,97,121))break i;if(a.cursor>a.limit_backward)break i;if(a.cursor=a.limit-s,a.bra=a.cursor,a.slice_from("ie"))break;return;case 2:if(a.cursor>a.limit_backward)break i}}break r}a.cursor=a.limit-r;var c=a.limit-a.cursor;if(!a.go_out_grouping_b(v,97,121))return;if(a.cursor--,a.cursor=a.limit-c,!a.slice_del())return;a.ket=a.cursor,a.bra=a.cursor;var o,c=a.limit-a.cursor;switch(o=a.find_among_b(f)){case 1:return a.slice_from("e");case 2:var u=a.limit-a.cursor;if(a.in_grouping_b(d,97,111)&&!(a.cursor>a.limit_backward))return;a.cursor=a.limit-u;break;case 3:return a.cursor!=h||(u=a.limit-a.cursor,q()&&(a.cursor=a.limit-u,a.slice_from("e")))}if(a.cursor=a.limit-c,a.ket=a.cursor,a.cursor<=a.limit_backward)return;if(a.cursor--,a.bra=a.cursor,!a.slice_del())return}})(),a.cursor=a.limit-r,a.limit-a.cursor),r=(a.ket=a.cursor,e=a.limit-a.cursor,(a.eq_s_b("y")||(a.cursor=a.limit-e,a.eq_s_b("Y")))&&(a.bra=a.cursor,a.out_grouping_b(v,97,121))&&a.cursor>a.limit_backward&&a.slice_from("i"),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(_))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ence"))break;return;case 3:if(a.slice_from("ance"))break;return;case 4:if(a.slice_from("able"))break;return;case 5:if(a.slice_from("ent"))break;return;case 6:if(a.slice_from("ize"))break;return;case 7:if(a.slice_from("ate"))break;return;case 8:if(a.slice_from("al"))break;return;case 9:if(a.slice_from("ful"))break;return;case 10:if(a.slice_from("ous"))break;return;case 11:if(a.slice_from("ive"))break;return;case 12:if(a.slice_from("ble"))break;return;case 13:if(a.slice_from("og"))break;return;case 14:if(!a.eq_s_b("l"))return;if(a.slice_from("og"))break;return;case 15:if(a.slice_from("less"))break;return;case 16:if(!a.in_grouping_b(w,99,116))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.limit-a.cursor),i=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(m))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ate"))break;return;case 3:if(a.slice_from("al"))break;return;case 4:if(a.slice_from("ic"))break;return;case 5:if(a.slice_del())break;return;case 6:if(!Y())return;if(a.slice_del())break}})(),a.cursor=a.limit-e,a.limit-a.cursor),r=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(b))&&(a.bra=a.cursor,Y()))switch(r){case 1:if(a.slice_del())break;return;case 2:var i=a.limit-a.cursor;if(!a.eq_s_b("s")&&(a.cursor=a.limit-i,!a.eq_s_b("t")))return;if(a.slice_del())break}})(),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(k)))switch(a.bra=a.cursor,r){case 1:if(!Y()){if(!z())return;var i=a.limit-a.cursor;if(q())return;a.cursor=a.limit-i}if(a.slice_del())break;return;case 2:if(!Y())return;if(!a.eq_s_b("l"))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.cursor=a.limit_backward,a.cursor);(()=>{if(p)for(;;){var r=a.cursor;r:{for(;;){var i=a.cursor;if(a.bra=a.cursor,a.eq_s("Y")){a.ket=a.cursor,a.cursor=i;break}if(a.cursor=i,a.cursor>=a.limit)break r;a.cursor++}if(a.slice_from("y"))continue;return}a.cursor=r;break}})(),a.cursor=e}}return!0},this.stemWord=function(r){return a.setCurrent(r),this.stem(),a.getCurrent()}};
+window.Stemmer = EnglishStemmer;
diff --git a/docs/python/_static/pygments.css b/docs/python/_static/pygments.css
index 582d5c3a..6f8b210a 100644
--- a/docs/python/_static/pygments.css
+++ b/docs/python/_static/pygments.css
@@ -5,70 +5,71 @@ td.linenos .special { color: #000000; background-color: #ffffc0; padding-left: 5
 span.linenos.special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; }
 .highlight .hll { background-color: #ffffcc }
 .highlight { background: #f8f8f8; }
-.highlight .c { color: #408080; font-style: italic } /* Comment */
-.highlight .err { border: 1px solid #FF0000 } /* Error */
+.highlight .c { color: #3D7B7B; font-style: italic } /* Comment */
+.highlight .err { border: 1px solid #F00 } /* Error */
 .highlight .k { color: #008000; font-weight: bold } /* Keyword */
-.highlight .o { color: #666666 } /* Operator */
-.highlight .ch { color: #408080; font-style: italic } /* Comment.Hashbang */
-.highlight .cm { color: #408080; font-style: italic } /* Comment.Multiline */
-.highlight .cp { color: #BC7A00 } /* Comment.Preproc */
-.highlight .cpf { color: #408080; font-style: italic } /* Comment.PreprocFile */
-.highlight .c1 { color: #408080; font-style: italic } /* Comment.Single */
-.highlight .cs { color: #408080; font-style: italic } /* Comment.Special */
+.highlight .o { color: #666 } /* Operator */
+.highlight .ch { color: #3D7B7B; font-style: italic } /* Comment.Hashbang */
+.highlight .cm { color: #3D7B7B; font-style: italic } /* Comment.Multiline */
+.highlight .cp { color: #9C6500 } /* Comment.Preproc */
+.highlight .cpf { color: #3D7B7B; font-style: italic } /* Comment.PreprocFile */
+.highlight .c1 { color: #3D7B7B; font-style: italic } /* Comment.Single */
+.highlight .cs { color: #3D7B7B; font-style: italic } /* Comment.Special */
 .highlight .gd { color: #A00000 } /* Generic.Deleted */
 .highlight .ge { font-style: italic } /* Generic.Emph */
-.highlight .gr { color: #FF0000 } /* Generic.Error */
+.highlight .ges { font-weight: bold; font-style: italic } /* Generic.EmphStrong */
+.highlight .gr { color: #E40000 } /* Generic.Error */
 .highlight .gh { color: #000080; font-weight: bold } /* Generic.Heading */
-.highlight .gi { color: #00A000 } /* Generic.Inserted */
-.highlight .go { color: #888888 } /* Generic.Output */
+.highlight .gi { color: #008400 } /* Generic.Inserted */
+.highlight .go { color: #717171 } /* Generic.Output */
 .highlight .gp { color: #000080; font-weight: bold } /* Generic.Prompt */
 .highlight .gs { font-weight: bold } /* Generic.Strong */
 .highlight .gu { color: #800080; font-weight: bold } /* Generic.Subheading */
-.highlight .gt { color: #0044DD } /* Generic.Traceback */
+.highlight .gt { color: #04D } /* Generic.Traceback */
 .highlight .kc { color: #008000; font-weight: bold } /* Keyword.Constant */
 .highlight .kd { color: #008000; font-weight: bold } /* Keyword.Declaration */
 .highlight .kn { color: #008000; font-weight: bold } /* Keyword.Namespace */
 .highlight .kp { color: #008000 } /* Keyword.Pseudo */
 .highlight .kr { color: #008000; font-weight: bold } /* Keyword.Reserved */
 .highlight .kt { color: #B00040 } /* Keyword.Type */
-.highlight .m { color: #666666 } /* Literal.Number */
+.highlight .m { color: #666 } /* Literal.Number */
 .highlight .s { color: #BA2121 } /* Literal.String */
-.highlight .na { color: #7D9029 } /* Name.Attribute */
+.highlight .na { color: #687822 } /* Name.Attribute */
 .highlight .nb { color: #008000 } /* Name.Builtin */
-.highlight .nc { color: #0000FF; font-weight: bold } /* Name.Class */
-.highlight .no { color: #880000 } /* Name.Constant */
-.highlight .nd { color: #AA22FF } /* Name.Decorator */
-.highlight .ni { color: #999999; font-weight: bold } /* Name.Entity */
-.highlight .ne { color: #D2413A; font-weight: bold } /* Name.Exception */
-.highlight .nf { color: #0000FF } /* Name.Function */
-.highlight .nl { color: #A0A000 } /* Name.Label */
-.highlight .nn { color: #0000FF; font-weight: bold } /* Name.Namespace */
+.highlight .nc { color: #00F; font-weight: bold } /* Name.Class */
+.highlight .no { color: #800 } /* Name.Constant */
+.highlight .nd { color: #A2F } /* Name.Decorator */
+.highlight .ni { color: #717171; font-weight: bold } /* Name.Entity */
+.highlight .ne { color: #CB3F38; font-weight: bold } /* Name.Exception */
+.highlight .nf { color: #00F } /* Name.Function */
+.highlight .nl { color: #767600 } /* Name.Label */
+.highlight .nn { color: #00F; font-weight: bold } /* Name.Namespace */
 .highlight .nt { color: #008000; font-weight: bold } /* Name.Tag */
 .highlight .nv { color: #19177C } /* Name.Variable */
-.highlight .ow { color: #AA22FF; font-weight: bold } /* Operator.Word */
-.highlight .w { color: #bbbbbb } /* Text.Whitespace */
-.highlight .mb { color: #666666 } /* Literal.Number.Bin */
-.highlight .mf { color: #666666 } /* Literal.Number.Float */
-.highlight .mh { color: #666666 } /* Literal.Number.Hex */
-.highlight .mi { color: #666666 } /* Literal.Number.Integer */
-.highlight .mo { color: #666666 } /* Literal.Number.Oct */
+.highlight .ow { color: #A2F; font-weight: bold } /* Operator.Word */
+.highlight .w { color: #BBB } /* Text.Whitespace */
+.highlight .mb { color: #666 } /* Literal.Number.Bin */
+.highlight .mf { color: #666 } /* Literal.Number.Float */
+.highlight .mh { color: #666 } /* Literal.Number.Hex */
+.highlight .mi { color: #666 } /* Literal.Number.Integer */
+.highlight .mo { color: #666 } /* Literal.Number.Oct */
 .highlight .sa { color: #BA2121 } /* Literal.String.Affix */
 .highlight .sb { color: #BA2121 } /* Literal.String.Backtick */
 .highlight .sc { color: #BA2121 } /* Literal.String.Char */
 .highlight .dl { color: #BA2121 } /* Literal.String.Delimiter */
 .highlight .sd { color: #BA2121; font-style: italic } /* Literal.String.Doc */
 .highlight .s2 { color: #BA2121 } /* Literal.String.Double */
-.highlight .se { color: #BB6622; font-weight: bold } /* Literal.String.Escape */
+.highlight .se { color: #AA5D1F; font-weight: bold } /* Literal.String.Escape */
 .highlight .sh { color: #BA2121 } /* Literal.String.Heredoc */
-.highlight .si { color: #BB6688; font-weight: bold } /* Literal.String.Interpol */
+.highlight .si { color: #A45A77; font-weight: bold } /* Literal.String.Interpol */
 .highlight .sx { color: #008000 } /* Literal.String.Other */
-.highlight .sr { color: #BB6688 } /* Literal.String.Regex */
+.highlight .sr { color: #A45A77 } /* Literal.String.Regex */
 .highlight .s1 { color: #BA2121 } /* Literal.String.Single */
 .highlight .ss { color: #19177C } /* Literal.String.Symbol */
 .highlight .bp { color: #008000 } /* Name.Builtin.Pseudo */
-.highlight .fm { color: #0000FF } /* Name.Function.Magic */
+.highlight .fm { color: #00F } /* Name.Function.Magic */
 .highlight .vc { color: #19177C } /* Name.Variable.Class */
 .highlight .vg { color: #19177C } /* Name.Variable.Global */
 .highlight .vi { color: #19177C } /* Name.Variable.Instance */
 .highlight .vm { color: #19177C } /* Name.Variable.Magic */
-.highlight .il { color: #666666 } /* Literal.Number.Integer.Long */
\ No newline at end of file
+.highlight .il { color: #666 } /* Literal.Number.Integer.Long */
\ No newline at end of file
diff --git a/docs/python/_static/searchtools.js b/docs/python/_static/searchtools.js
index 002e9c4a..e29b1c75 100644
--- a/docs/python/_static/searchtools.js
+++ b/docs/python/_static/searchtools.js
@@ -1,25 +1,20 @@
 /*
- * searchtools.js
- * ~~~~~~~~~~~~~~~~
- *
  * Sphinx JavaScript utilities for the full-text search.
- *
- * :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
- * :license: BSD, see LICENSE for details.
- *
  */
+"use strict";
 
-if (!Scorer) {
-  /**
-   * Simple result scoring code.
-   */
+/**
+ * Simple result scoring code.
+ */
+if (typeof Scorer === "undefined") {
   var Scorer = {
     // Implement the following function to further tweak the score for each result
-    // The function takes a result array [filename, title, anchor, descr, score]
+    // The function takes a result array [docname, title, anchor, descr, score, filename]
     // and returns the new score.
     /*
-    score: function(result) {
-      return result[4];
+    score: result => {
+      const [docname, title, anchor, descr, score, filename, kind] = result
+      return score
     },
     */
 
@@ -28,9 +23,11 @@ if (!Scorer) {
     // or matches in the last dotted part of the object name
     objPartialMatch: 6,
     // Additive scores depending on the priority of the object
-    objPrio: {0:  15,   // used to be importantResults
-              1:  5,   // used to be objectResults
-              2: -5},  // used to be unimportantResults
+    objPrio: {
+      0: 15, // used to be importantResults
+      1: 5, // used to be objectResults
+      2: -5, // used to be unimportantResults
+    },
     //  Used when the priority is not in the mapping.
     objPrioDefault: 0,
 
@@ -39,456 +36,628 @@ if (!Scorer) {
     partialTitle: 7,
     // query found in terms
     term: 5,
-    partialTerm: 2
+    partialTerm: 2,
   };
 }
 
-if (!splitQuery) {
-  function splitQuery(query) {
-    return query.split(/\s+/);
+// Global search result kind enum, used by themes to style search results.
+// prettier-ignore
+class SearchResultKind {
+  static get index() { return "index"; }
+  static get object() { return "object"; }
+  static get text() { return "text"; }
+  static get title() { return "title"; }
+}
+
+const _removeChildren = (element) => {
+  while (element && element.lastChild) element.removeChild(element.lastChild);
+};
+
+/**
+ * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping
+ */
+const _escapeRegExp = (string) =>
+  string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string
+
+const _escapeHTML = (text) => {
+  return text
+    .replaceAll("&", "&amp;")
+    .replaceAll("<", "&lt;")
+    .replaceAll(">", "&gt;")
+    .replaceAll('"', "&quot;")
+    .replaceAll("'", "&apos;");
+};
+
+const _displayItem = (item, searchTerms, highlightTerms) => {
+  const docBuilder = DOCUMENTATION_OPTIONS.BUILDER;
+  const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX;
+  const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX;
+  const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY;
+  const contentRoot = document.documentElement.dataset.content_root;
+
+  const [docName, title, anchor, descr, score, _filename, kind] = item;
+
+  let listItem = document.createElement("li");
+  // Add a class representing the item's type:
+  // can be used by a theme's CSS selector for styling
+  // See SearchResultKind for the class names.
+  listItem.classList.add(`kind-${kind}`);
+  let requestUrl;
+  let linkUrl;
+  if (docBuilder === "dirhtml") {
+    // dirhtml builder
+    let dirname = docName + "/";
+    if (dirname.match(/\/index\/$/))
+      dirname = dirname.substring(0, dirname.length - 6);
+    else if (dirname === "index/") dirname = "";
+    requestUrl = contentRoot + dirname;
+    linkUrl = requestUrl;
+  } else {
+    // normal html builders
+    requestUrl = contentRoot + docName + docFileSuffix;
+    linkUrl = docName + docLinkSuffix;
+  }
+  let linkEl = listItem.appendChild(document.createElement("a"));
+  linkEl.href = linkUrl + anchor;
+  linkEl.dataset.score = score;
+  linkEl.innerHTML = _escapeHTML(title);
+  if (descr) {
+    listItem.appendChild(document.createElement("span")).innerHTML =
+      ` (${_escapeHTML(descr)})`;
+    // highlight search terms in the description
+    if (SPHINX_HIGHLIGHT_ENABLED)
+      // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+      highlightTerms.forEach((term) =>
+        _highlightText(listItem, term, "highlighted"),
+      );
+  } else if (showSearchSummary)
+    fetch(requestUrl)
+      .then((responseData) => responseData.text())
+      .then((data) => {
+        if (data)
+          listItem.appendChild(
+            Search.makeSearchSummary(data, searchTerms, anchor),
+          );
+        // highlight search terms in the summary
+        if (SPHINX_HIGHLIGHT_ENABLED)
+          // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+          highlightTerms.forEach((term) =>
+            _highlightText(listItem, term, "highlighted"),
+          );
+      });
+  Search.output.appendChild(listItem);
+};
+const _finishSearch = (resultCount) => {
+  Search.stopPulse();
+  Search.title.innerText = _("Search Results");
+  if (!resultCount)
+    Search.status.innerText = Documentation.gettext(
+      "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories.",
+    );
+  else
+    Search.status.innerText = Documentation.ngettext(
+      "Search finished, found one page matching the search query.",
+      "Search finished, found ${resultCount} pages matching the search query.",
+      resultCount,
+    ).replace("${resultCount}", resultCount);
+};
+const _displayNextItem = (
+  results,
+  resultCount,
+  searchTerms,
+  highlightTerms,
+) => {
+  // results left, load the summary and display it
+  // this is intended to be dynamic (don't sub resultsCount)
+  if (results.length) {
+    _displayItem(results.pop(), searchTerms, highlightTerms);
+    setTimeout(
+      () => _displayNextItem(results, resultCount, searchTerms, highlightTerms),
+      5,
+    );
+  }
+  // search finished, update title and status message
+  else _finishSearch(resultCount);
+};
+// Helper function used by query() to order search results.
+// Each input is an array of [docname, title, anchor, descr, score, filename, kind].
+// Order the results by score (in opposite order of appearance, since the
+// `_displayNextItem` function uses pop() to retrieve items) and then alphabetically.
+const _orderResultsByScoreThenName = (a, b) => {
+  const leftScore = a[4];
+  const rightScore = b[4];
+  if (leftScore === rightScore) {
+    // same score: sort alphabetically
+    const leftTitle = a[1].toLowerCase();
+    const rightTitle = b[1].toLowerCase();
+    if (leftTitle === rightTitle) return 0;
+    return leftTitle > rightTitle ? -1 : 1; // inverted is intentional
   }
+  return leftScore > rightScore ? 1 : -1;
+};
+
+/**
+ * Default splitQuery function. Can be overridden in ``sphinx.search`` with a
+ * custom function per language.
+ *
+ * The regular expression works by splitting the string on consecutive characters
+ * that are not Unicode letters, numbers, underscores, or emoji characters.
+ * This is the same as ``\W+`` in Python, preserving the surrogate pair area.
+ */
+if (typeof splitQuery === "undefined") {
+  var splitQuery = (query) =>
+    query
+      .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu)
+      .filter((term) => term); // remove remaining empty strings
 }
 
 /**
  * Search Module
  */
-var Search = {
-
-  _index : null,
-  _queued_query : null,
-  _pulse_status : -1,
-
-  htmlToText : function(htmlString) {
-      var virtualDocument = document.implementation.createHTMLDocument('virtual');
-      var htmlElement = $(htmlString, virtualDocument);
-      htmlElement.find('.headerlink').remove();
-      docContent = htmlElement.find('[role=main]')[0];
-      if(docContent === undefined) {
-          console.warn("Content block not found. Sphinx search tries to obtain it " +
-                       "via '[role=main]'. Could you check your theme or template.");
-          return "";
-      }
-      return docContent.textContent || docContent.innerText;
-  },
+const Search = {
+  _index: null,
+  _queued_query: null,
+  _pulse_status: -1,
+
+  htmlToText: (htmlString, anchor) => {
+    const htmlElement = new DOMParser().parseFromString(
+      htmlString,
+      "text/html",
+    );
+    for (const removalQuery of [".headerlink", "script", "style"]) {
+      htmlElement.querySelectorAll(removalQuery).forEach((el) => {
+        el.remove();
+      });
+    }
+    if (anchor) {
+      const anchorContent = htmlElement.querySelector(
+        `[role="main"] ${anchor}`,
+      );
+      if (anchorContent) return anchorContent.textContent;
+
+      console.warn(
+        `Anchored content block not found. Sphinx search tries to obtain it via DOM query '[role=main] ${anchor}'. Check your theme or template.`,
+      );
+    }
 
-  init : function() {
-      var params = $.getQueryParameters();
-      if (params.q) {
-          var query = params.q[0];
-          $('input[name="q"]')[0].value = query;
-          this.performSearch(query);
-      }
+    // if anchor not specified or not found, fall back to main content
+    const docContent = htmlElement.querySelector('[role="main"]');
+    if (docContent) return docContent.textContent;
+
+    console.warn(
+      "Content block not found. Sphinx search tries to obtain it via DOM query '[role=main]'. Check your theme or template.",
+    );
+    return "";
   },
 
-  loadIndex : function(url) {
-    $.ajax({type: "GET", url: url, data: null,
-            dataType: "script", cache: true,
-            complete: function(jqxhr, textstatus) {
-              if (textstatus != "success") {
-                document.getElementById("searchindexloader").src = url;
-              }
-            }});
+  init: () => {
+    const query = new URLSearchParams(window.location.search).get("q");
+    document
+      .querySelectorAll('input[name="q"]')
+      .forEach((el) => (el.value = query));
+    if (query) Search.performSearch(query);
   },
 
-  setIndex : function(index) {
-    var q;
-    this._index = index;
-    if ((q = this._queued_query) !== null) {
-      this._queued_query = null;
-      Search.query(q);
+  loadIndex: (url) =>
+    (document.body.appendChild(document.createElement("script")).src = url),
+
+  setIndex: (index) => {
+    Search._index = index;
+    if (Search._queued_query !== null) {
+      const query = Search._queued_query;
+      Search._queued_query = null;
+      Search.query(query);
     }
   },
 
-  hasIndex : function() {
-      return this._index !== null;
-  },
+  hasIndex: () => Search._index !== null,
 
-  deferQuery : function(query) {
-      this._queued_query = query;
-  },
+  deferQuery: (query) => (Search._queued_query = query),
 
-  stopPulse : function() {
-      this._pulse_status = 0;
-  },
+  stopPulse: () => (Search._pulse_status = -1),
+
+  startPulse: () => {
+    if (Search._pulse_status >= 0) return;
 
-  startPulse : function() {
-    if (this._pulse_status >= 0)
-        return;
-    function pulse() {
-      var i;
+    const pulse = () => {
       Search._pulse_status = (Search._pulse_status + 1) % 4;
-      var dotString = '';
-      for (i = 0; i < Search._pulse_status; i++)
-        dotString += '.';
-      Search.dots.text(dotString);
-      if (Search._pulse_status > -1)
-        window.setTimeout(pulse, 500);
-    }
+      Search.dots.innerText = ".".repeat(Search._pulse_status);
+      if (Search._pulse_status >= 0) window.setTimeout(pulse, 500);
+    };
     pulse();
   },
 
   /**
    * perform a search for something (or wait until index is loaded)
    */
-  performSearch : function(query) {
+  performSearch: (query) => {
     // create the required interface elements
-    this.out = $('#search-results');
-    this.title = $('<h2>' + _('Searching') + '</h2>').appendTo(this.out);
-    this.dots = $('<span></span>').appendTo(this.title);
-    this.status = $('<p class="search-summary">&nbsp;</p>').appendTo(this.out);
-    this.output = $('<ul class="search"/>').appendTo(this.out);
-
-    $('#search-progress').text(_('Preparing search...'));
-    this.startPulse();
+    const searchText = document.createElement("h2");
+    searchText.textContent = _("Searching");
+    const searchSummary = document.createElement("p");
+    searchSummary.classList.add("search-summary");
+    searchSummary.innerText = "";
+    const searchList = document.createElement("ul");
+    searchList.setAttribute("role", "list");
+    searchList.classList.add("search");
+
+    const out = document.getElementById("search-results");
+    Search.title = out.appendChild(searchText);
+    Search.dots = Search.title.appendChild(document.createElement("span"));
+    Search.status = out.appendChild(searchSummary);
+    Search.output = out.appendChild(searchList);
+
+    const searchProgress = document.getElementById("search-progress");
+    // Some themes don't use the search progress node
+    if (searchProgress) {
+      searchProgress.innerText = _("Preparing search...");
+    }
+    Search.startPulse();
 
     // index already loaded, the browser was quick!
-    if (this.hasIndex())
-      this.query(query);
-    else
-      this.deferQuery(query);
+    if (Search.hasIndex()) Search.query(query);
+    else Search.deferQuery(query);
   },
 
-  /**
-   * execute search (requires search index to be loaded)
-   */
-  query : function(query) {
-    var i;
-
-    // stem the searchterms and add them to the correct list
-    var stemmer = new Stemmer();
-    var searchterms = [];
-    var excluded = [];
-    var hlterms = [];
-    var tmp = splitQuery(query);
-    var objectterms = [];
-    for (i = 0; i < tmp.length; i++) {
-      if (tmp[i] !== "") {
-          objectterms.push(tmp[i].toLowerCase());
-      }
+  _parseQuery: (query) => {
+    // stem the search terms and add them to the correct list
+    const stemmer = new Stemmer();
+    const searchTerms = new Set();
+    const excludedTerms = new Set();
+    const highlightTerms = new Set();
+    const objectTerms = new Set(splitQuery(query.toLowerCase().trim()));
+    splitQuery(query.trim()).forEach((queryTerm) => {
+      const queryTermLower = queryTerm.toLowerCase();
+
+      // maybe skip this "word"
+      // stopwords set is from language_data.js
+      if (stopwords.has(queryTermLower) || queryTerm.match(/^\d+$/)) return;
 
-      if ($u.indexOf(stopwords, tmp[i].toLowerCase()) != -1 || tmp[i] === "") {
-        // skip this "word"
-        continue;
-      }
       // stem the word
-      var word = stemmer.stemWord(tmp[i].toLowerCase());
-      // prevent stemmer from cutting word smaller than two chars
-      if(word.length < 3 && tmp[i].length >= 3) {
-        word = tmp[i];
-      }
-      var toAppend;
+      let word = stemmer.stemWord(queryTermLower);
       // select the correct list
-      if (word[0] == '-') {
-        toAppend = excluded;
-        word = word.substr(1);
-      }
+      if (word[0] === "-") excludedTerms.add(word.substr(1));
       else {
-        toAppend = searchterms;
-        hlterms.push(tmp[i].toLowerCase());
+        searchTerms.add(word);
+        highlightTerms.add(queryTermLower);
       }
-      // only add if not already in the list
-      if (!$u.contains(toAppend, word))
-        toAppend.push(word);
+    });
+
+    if (SPHINX_HIGHLIGHT_ENABLED) {
+      // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js
+      localStorage.setItem(
+        "sphinx_highlight_terms",
+        [...highlightTerms].join(" "),
+      );
     }
-    var highlightstring = '?highlight=' + $.urlencode(hlterms.join(" "));
 
-    // console.debug('SEARCH: searching for:');
-    // console.info('required: ', searchterms);
-    // console.info('excluded: ', excluded);
+    // console.debug("SEARCH: searching for:");
+    // console.info("required: ", [...searchTerms]);
+    // console.info("excluded: ", [...excludedTerms]);
 
-    // prepare search
-    var terms = this._index.terms;
-    var titleterms = this._index.titleterms;
+    return [query, searchTerms, excludedTerms, highlightTerms, objectTerms];
+  },
 
-    // array of [filename, title, anchor, descr, score]
-    var results = [];
-    $('#search-progress').empty();
+  /**
+   * execute search (requires search index to be loaded)
+   */
+  _performSearch: (
+    query,
+    searchTerms,
+    excludedTerms,
+    highlightTerms,
+    objectTerms,
+  ) => {
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const titles = Search._index.titles;
+    const allTitles = Search._index.alltitles;
+    const indexEntries = Search._index.indexentries;
+
+    // Collect multiple result groups to be sorted separately and then ordered.
+    // Each is an array of [docname, title, anchor, descr, score, filename, kind].
+    const normalResults = [];
+    const nonMainIndexResults = [];
+
+    _removeChildren(document.getElementById("search-progress"));
+
+    const queryLower = query.toLowerCase().trim();
+    for (const [title, foundTitles] of Object.entries(allTitles)) {
+      if (
+        title.toLowerCase().trim().includes(queryLower)
+        && queryLower.length >= title.length / 2
+      ) {
+        for (const [file, id] of foundTitles) {
+          const score = Math.round(
+            (Scorer.title * queryLower.length) / title.length,
+          );
+          const boost = titles[file] === title ? 1 : 0; // add a boost for document titles
+          normalResults.push([
+            docNames[file],
+            titles[file] !== title ? `${titles[file]} > ${title}` : title,
+            id !== null ? "#" + id : "",
+            null,
+            score + boost,
+            filenames[file],
+            SearchResultKind.title,
+          ]);
+        }
+      }
+    }
 
-    // lookup as object
-    for (i = 0; i < objectterms.length; i++) {
-      var others = [].concat(objectterms.slice(0, i),
-                             objectterms.slice(i+1, objectterms.length));
-      results = results.concat(this.performObjectSearch(objectterms[i], others));
+    // search for explicit entries in index directives
+    for (const [entry, foundEntries] of Object.entries(indexEntries)) {
+      if (entry.includes(queryLower) && queryLower.length >= entry.length / 2) {
+        for (const [file, id, isMain] of foundEntries) {
+          const score = Math.round((100 * queryLower.length) / entry.length);
+          const result = [
+            docNames[file],
+            titles[file],
+            id ? "#" + id : "",
+            null,
+            score,
+            filenames[file],
+            SearchResultKind.index,
+          ];
+          if (isMain) {
+            normalResults.push(result);
+          } else {
+            nonMainIndexResults.push(result);
+          }
+        }
+      }
     }
 
+    // lookup as object
+    objectTerms.forEach((term) =>
+      normalResults.push(...Search.performObjectSearch(term, objectTerms)),
+    );
+
     // lookup as search terms in fulltext
-    results = results.concat(this.performTermsSearch(searchterms, excluded, terms, titleterms));
+    normalResults.push(
+      ...Search.performTermsSearch(searchTerms, excludedTerms),
+    );
 
     // let the scorer override scores with a custom scoring function
     if (Scorer.score) {
-      for (i = 0; i < results.length; i++)
-        results[i][4] = Scorer.score(results[i]);
+      normalResults.forEach((item) => (item[4] = Scorer.score(item)));
+      nonMainIndexResults.forEach((item) => (item[4] = Scorer.score(item)));
     }
 
-    // now sort the results by score (in opposite order of appearance, since the
-    // display function below uses pop() to retrieve items) and then
-    // alphabetically
-    results.sort(function(a, b) {
-      var left = a[4];
-      var right = b[4];
-      if (left > right) {
-        return 1;
-      } else if (left < right) {
-        return -1;
-      } else {
-        // same score: sort alphabetically
-        left = a[1].toLowerCase();
-        right = b[1].toLowerCase();
-        return (left > right) ? -1 : ((left < right) ? 1 : 0);
+    // Sort each group of results by score and then alphabetically by name.
+    normalResults.sort(_orderResultsByScoreThenName);
+    nonMainIndexResults.sort(_orderResultsByScoreThenName);
+
+    // Combine the result groups in (reverse) order.
+    // Non-main index entries are typically arbitrary cross-references,
+    // so display them after other results.
+    let results = [...nonMainIndexResults, ...normalResults];
+
+    // remove duplicate search results
+    // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept
+    let seen = new Set();
+    results = results.reverse().reduce((acc, result) => {
+      let resultStr = result
+        .slice(0, 4)
+        .concat([result[5]])
+        .map((v) => String(v))
+        .join(",");
+      if (!seen.has(resultStr)) {
+        acc.push(result);
+        seen.add(resultStr);
       }
-    });
+      return acc;
+    }, []);
+
+    return results.reverse();
+  },
+
+  query: (query) => {
+    const [
+      searchQuery,
+      searchTerms,
+      excludedTerms,
+      highlightTerms,
+      objectTerms,
+    ] = Search._parseQuery(query);
+    const results = Search._performSearch(
+      searchQuery,
+      searchTerms,
+      excludedTerms,
+      highlightTerms,
+      objectTerms,
+    );
 
     // for debugging
     //Search.lastresults = results.slice();  // a copy
-    //console.info('search results:', Search.lastresults);
+    // console.info("search results:", Search.lastresults);
 
     // print the results
-    var resultCount = results.length;
-    function displayNextItem() {
-      // results left, load the summary and display it
-      if (results.length) {
-        var item = results.pop();
-        var listItem = $('<li></li>');
-        var requestUrl = "";
-        var linkUrl = "";
-        if (DOCUMENTATION_OPTIONS.BUILDER === 'dirhtml') {
-          // dirhtml builder
-          var dirname = item[0] + '/';
-          if (dirname.match(/\/index\/$/)) {
-            dirname = dirname.substring(0, dirname.length-6);
-          } else if (dirname == 'index/') {
-            dirname = '';
-          }
-          requestUrl = DOCUMENTATION_OPTIONS.URL_ROOT + dirname;
-          linkUrl = requestUrl;
-
-        } else {
-          // normal html builders
-          requestUrl = DOCUMENTATION_OPTIONS.URL_ROOT + item[0] + DOCUMENTATION_OPTIONS.FILE_SUFFIX;
-          linkUrl = item[0] + DOCUMENTATION_OPTIONS.LINK_SUFFIX;
-        }
-        listItem.append($('<a/>').attr('href',
-            linkUrl +
-            highlightstring + item[2]).html(item[1]));
-        if (item[3]) {
-          listItem.append($('<span> (' + item[3] + ')</span>'));
-          Search.output.append(listItem);
-          setTimeout(function() {
-            displayNextItem();
-          }, 5);
-        } else if (DOCUMENTATION_OPTIONS.HAS_SOURCE) {
-          $.ajax({url: requestUrl,
-                  dataType: "text",
-                  complete: function(jqxhr, textstatus) {
-                    var data = jqxhr.responseText;
-                    if (data !== '' && data !== undefined) {
-                      var summary = Search.makeSearchSummary(data, searchterms, hlterms);
-                      if (summary) {
-                        listItem.append(summary);
-                      }
-                    }
-                    Search.output.append(listItem);
-                    setTimeout(function() {
-                      displayNextItem();
-                    }, 5);
-                  }});
-        } else {
-          // no source available, just display title
-          Search.output.append(listItem);
-          setTimeout(function() {
-            displayNextItem();
-          }, 5);
-        }
-      }
-      // search finished, update title and status message
-      else {
-        Search.stopPulse();
-        Search.title.text(_('Search Results'));
-        if (!resultCount)
-          Search.status.text(_('Your search did not match any documents. Please make sure that all words are spelled correctly and that you\'ve selected enough categories.'));
-        else
-            Search.status.text(_('Search finished, found %s page(s) matching the search query.').replace('%s', resultCount));
-        Search.status.fadeIn(500);
-      }
-    }
-    displayNextItem();
+    _displayNextItem(results, results.length, searchTerms, highlightTerms);
   },
 
   /**
    * search for object names
    */
-  performObjectSearch : function(object, otherterms) {
-    var filenames = this._index.filenames;
-    var docnames = this._index.docnames;
-    var objects = this._index.objects;
-    var objnames = this._index.objnames;
-    var titles = this._index.titles;
-
-    var i;
-    var results = [];
-
-    for (var prefix in objects) {
-      for (var iMatch = 0; iMatch != objects[prefix].length; ++iMatch) {
-        var match = objects[prefix][iMatch];
-        var name = match[4];
-        var fullname = (prefix ? prefix + '.' : '') + name;
-        var fullnameLower = fullname.toLowerCase()
-        if (fullnameLower.indexOf(object) > -1) {
-          var score = 0;
-          var parts = fullnameLower.split('.');
-          // check for different match types: exact matches of full name or
-          // "last name" (i.e. last dotted part)
-          if (fullnameLower == object || parts[parts.length - 1] == object) {
-            score += Scorer.objNameMatch;
-          // matches in last name
-          } else if (parts[parts.length - 1].indexOf(object) > -1) {
-            score += Scorer.objPartialMatch;
-          }
-          var objname = objnames[match[1]][2];
-          var title = titles[match[0]];
-          // If more than one term searched for, we require other words to be
-          // found in the name/title/description
-          if (otherterms.length > 0) {
-            var haystack = (prefix + ' ' + name + ' ' +
-                            objname + ' ' + title).toLowerCase();
-            var allfound = true;
-            for (i = 0; i < otherterms.length; i++) {
-              if (haystack.indexOf(otherterms[i]) == -1) {
-                allfound = false;
-                break;
-              }
-            }
-            if (!allfound) {
-              continue;
-            }
-          }
-          var descr = objname + _(', in ') + title;
-
-          var anchor = match[3];
-          if (anchor === '')
-            anchor = fullname;
-          else if (anchor == '-')
-            anchor = objnames[match[1]][1] + '-' + fullname;
-          // add custom score for some objects according to scorer
-          if (Scorer.objPrio.hasOwnProperty(match[2])) {
-            score += Scorer.objPrio[match[2]];
-          } else {
-            score += Scorer.objPrioDefault;
-          }
-          results.push([docnames[match[0]], fullname, '#'+anchor, descr, score, filenames[match[0]]]);
-        }
+  performObjectSearch: (object, objectTerms) => {
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const objects = Search._index.objects;
+    const objNames = Search._index.objnames;
+    const titles = Search._index.titles;
+
+    const results = [];
+
+    const objectSearchCallback = (prefix, match) => {
+      const name = match[4];
+      const fullname = (prefix ? prefix + "." : "") + name;
+      const fullnameLower = fullname.toLowerCase();
+      if (fullnameLower.indexOf(object) < 0) return;
+
+      let score = 0;
+      const parts = fullnameLower.split(".");
+
+      // check for different match types: exact matches of full name or
+      // "last name" (i.e. last dotted part)
+      if (fullnameLower === object || parts.slice(-1)[0] === object)
+        score += Scorer.objNameMatch;
+      else if (parts.slice(-1)[0].indexOf(object) > -1)
+        score += Scorer.objPartialMatch; // matches in last name
+
+      const objName = objNames[match[1]][2];
+      const title = titles[match[0]];
+
+      // If more than one term searched for, we require other words to be
+      // found in the name/title/description
+      const otherTerms = new Set(objectTerms);
+      otherTerms.delete(object);
+      if (otherTerms.size > 0) {
+        const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase();
+        if (
+          [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0)
+        )
+          return;
       }
-    }
 
+      let anchor = match[3];
+      if (anchor === "") anchor = fullname;
+      else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname;
+
+      const descr = objName + _(", in ") + title;
+
+      // add custom score for some objects according to scorer
+      if (Scorer.objPrio.hasOwnProperty(match[2]))
+        score += Scorer.objPrio[match[2]];
+      else score += Scorer.objPrioDefault;
+
+      results.push([
+        docNames[match[0]],
+        fullname,
+        "#" + anchor,
+        descr,
+        score,
+        filenames[match[0]],
+        SearchResultKind.object,
+      ]);
+    };
+    Object.keys(objects).forEach((prefix) =>
+      objects[prefix].forEach((array) => objectSearchCallback(prefix, array)),
+    );
     return results;
   },
 
-  /**
-   * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions
-   */
-  escapeRegExp : function(string) {
-    return string.replace(/[.*+\-?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string
-  },
-
   /**
    * search for full-text terms in the index
    */
-  performTermsSearch : function(searchterms, excluded, terms, titleterms) {
-    var docnames = this._index.docnames;
-    var filenames = this._index.filenames;
-    var titles = this._index.titles;
+  performTermsSearch: (searchTerms, excludedTerms) => {
+    // prepare search
+    const terms = Search._index.terms;
+    const titleTerms = Search._index.titleterms;
+    const filenames = Search._index.filenames;
+    const docNames = Search._index.docnames;
+    const titles = Search._index.titles;
 
-    var i, j, file;
-    var fileMap = {};
-    var scoreMap = {};
-    var results = [];
+    const scoreMap = new Map();
+    const fileMap = new Map();
 
     // perform the search on the required terms
-    for (i = 0; i < searchterms.length; i++) {
-      var word = searchterms[i];
-      var files = [];
-      var _o = [
-        {files: terms[word], score: Scorer.term},
-        {files: titleterms[word], score: Scorer.title}
+    searchTerms.forEach((word) => {
+      const files = [];
+      // find documents, if any, containing the query word in their text/title term indices
+      // use Object.hasOwnProperty to avoid mismatching against prototype properties
+      const arr = [
+        {
+          files: terms.hasOwnProperty(word) ? terms[word] : undefined,
+          score: Scorer.term,
+        },
+        {
+          files: titleTerms.hasOwnProperty(word) ? titleTerms[word] : undefined,
+          score: Scorer.title,
+        },
       ];
       // add support for partial matches
       if (word.length > 2) {
-        var word_regex = this.escapeRegExp(word);
-        for (var w in terms) {
-          if (w.match(word_regex) && !terms[word]) {
-            _o.push({files: terms[w], score: Scorer.partialTerm})
-          }
+        const escapedWord = _escapeRegExp(word);
+        if (!terms.hasOwnProperty(word)) {
+          Object.keys(terms).forEach((term) => {
+            if (term.match(escapedWord))
+              arr.push({ files: terms[term], score: Scorer.partialTerm });
+          });
         }
-        for (var w in titleterms) {
-          if (w.match(word_regex) && !titleterms[word]) {
-              _o.push({files: titleterms[w], score: Scorer.partialTitle})
-          }
+        if (!titleTerms.hasOwnProperty(word)) {
+          Object.keys(titleTerms).forEach((term) => {
+            if (term.match(escapedWord))
+              arr.push({ files: titleTerms[term], score: Scorer.partialTitle });
+          });
         }
       }
 
       // no match but word was a required one
-      if ($u.every(_o, function(o){return o.files === undefined;})) {
-        break;
-      }
+      if (arr.every((record) => record.files === undefined)) return;
+
       // found search word in contents
-      $u.each(_o, function(o) {
-        var _files = o.files;
-        if (_files === undefined)
-          return
-
-        if (_files.length === undefined)
-          _files = [_files];
-        files = files.concat(_files);
-
-        // set score for the word in each file to Scorer.term
-        for (j = 0; j < _files.length; j++) {
-          file = _files[j];
-          if (!(file in scoreMap))
-            scoreMap[file] = {};
-          scoreMap[file][word] = o.score;
-        }
+      arr.forEach((record) => {
+        if (record.files === undefined) return;
+
+        let recordFiles = record.files;
+        if (recordFiles.length === undefined) recordFiles = [recordFiles];
+        files.push(...recordFiles);
+
+        // set score for the word in each file
+        recordFiles.forEach((file) => {
+          if (!scoreMap.has(file)) scoreMap.set(file, new Map());
+          const fileScores = scoreMap.get(file);
+          fileScores.set(word, record.score);
+        });
       });
 
       // create the mapping
-      for (j = 0; j < files.length; j++) {
-        file = files[j];
-        if (file in fileMap && fileMap[file].indexOf(word) === -1)
-          fileMap[file].push(word);
-        else
-          fileMap[file] = [word];
-      }
-    }
+      files.forEach((file) => {
+        if (!fileMap.has(file)) fileMap.set(file, [word]);
+        else if (fileMap.get(file).indexOf(word) === -1)
+          fileMap.get(file).push(word);
+      });
+    });
 
     // now check if the files don't contain excluded terms
-    for (file in fileMap) {
-      var valid = true;
-
+    const results = [];
+    for (const [file, wordList] of fileMap) {
       // check if all requirements are matched
-      var filteredTermCount = // as search terms with length < 3 are discarded: ignore
-        searchterms.filter(function(term){return term.length > 2}).length
+
+      // as search terms with length < 3 are discarded
+      const filteredTermCount = [...searchTerms].filter(
+        (term) => term.length > 2,
+      ).length;
       if (
-        fileMap[file].length != searchterms.length &&
-        fileMap[file].length != filteredTermCount
-      ) continue;
+        wordList.length !== searchTerms.size
+        && wordList.length !== filteredTermCount
+      )
+        continue;
 
       // ensure that none of the excluded terms is in the search result
-      for (i = 0; i < excluded.length; i++) {
-        if (terms[excluded[i]] == file ||
-            titleterms[excluded[i]] == file ||
-            $u.contains(terms[excluded[i]] || [], file) ||
-            $u.contains(titleterms[excluded[i]] || [], file)) {
-          valid = false;
-          break;
-        }
-      }
+      if (
+        [...excludedTerms].some(
+          (term) =>
+            terms[term] === file
+            || titleTerms[term] === file
+            || (terms[term] || []).includes(file)
+            || (titleTerms[term] || []).includes(file),
+        )
+      )
+        break;
 
-      // if we have still a valid result we can add it to the result list
-      if (valid) {
-        // select one (max) score for the file.
-        // for better ranking, we should calculate ranking by using words statistics like basic tf-idf...
-        var score = $u.max($u.map(fileMap[file], function(w){return scoreMap[file][w]}));
-        results.push([docnames[file], titles[file], '', null, score, filenames[file]]);
-      }
+      // select one (max) score for the file.
+      const score = Math.max(...wordList.map((w) => scoreMap.get(file).get(w)));
+      // add result to the result list
+      results.push([
+        docNames[file],
+        titles[file],
+        "",
+        null,
+        score,
+        filenames[file],
+        SearchResultKind.text,
+      ]);
     }
     return results;
   },
@@ -496,34 +665,29 @@ var Search = {
   /**
    * helper function to return a node containing the
    * search summary for a given text. keywords is a list
-   * of stemmed words, hlwords is the list of normal, unstemmed
-   * words. the first one is used to find the occurrence, the
-   * latter for highlighting it.
+   * of stemmed words.
    */
-  makeSearchSummary : function(htmlText, keywords, hlwords) {
-    var text = Search.htmlToText(htmlText);
-    if (text == "") {
-      return null;
-    }
-    var textLower = text.toLowerCase();
-    var start = 0;
-    $.each(keywords, function() {
-      var i = textLower.indexOf(this.toLowerCase());
-      if (i > -1)
-        start = i;
-    });
-    start = Math.max(start - 120, 0);
-    var excerpt = ((start > 0) ? '...' : '') +
-      $.trim(text.substr(start, 240)) +
-      ((start + 240 - text.length) ? '...' : '');
-    var rv = $('<p class="context"></p>').text(excerpt);
-    $.each(hlwords, function() {
-      rv = rv.highlightText(this, 'highlighted');
-    });
-    return rv;
-  }
+  makeSearchSummary: (htmlText, keywords, anchor) => {
+    const text = Search.htmlToText(htmlText, anchor);
+    if (text === "") return null;
+
+    const textLower = text.toLowerCase();
+    const actualStartPosition = [...keywords]
+      .map((k) => textLower.indexOf(k.toLowerCase()))
+      .filter((i) => i > -1)
+      .slice(-1)[0];
+    const startWithContext = Math.max(actualStartPosition - 120, 0);
+
+    const top = startWithContext === 0 ? "" : "...";
+    const tail = startWithContext + 240 < text.length ? "..." : "";
+
+    let summary = document.createElement("p");
+    summary.classList.add("context");
+    summary.textContent =
+      top + text.substr(startWithContext, 240).trim() + tail;
+
+    return summary;
+  },
 };
 
-$(document).ready(function() {
-  Search.init();
-});
+_ready(Search.init);
diff --git a/docs/python/_static/sphinx_highlight.js b/docs/python/_static/sphinx_highlight.js
new file mode 100644
index 00000000..a74e103a
--- /dev/null
+++ b/docs/python/_static/sphinx_highlight.js
@@ -0,0 +1,159 @@
+/* Highlighting utilities for Sphinx HTML documentation. */
+"use strict";
+
+const SPHINX_HIGHLIGHT_ENABLED = true;
+
+/**
+ * highlight a given string on a node by wrapping it in
+ * span elements with the given class name.
+ */
+const _highlight = (node, addItems, text, className) => {
+  if (node.nodeType === Node.TEXT_NODE) {
+    const val = node.nodeValue;
+    const parent = node.parentNode;
+    const pos = val.toLowerCase().indexOf(text);
+    if (
+      pos >= 0
+      && !parent.classList.contains(className)
+      && !parent.classList.contains("nohighlight")
+    ) {
+      let span;
+
+      const closestNode = parent.closest("body, svg, foreignObject");
+      const isInSVG = closestNode && closestNode.matches("svg");
+      if (isInSVG) {
+        span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
+      } else {
+        span = document.createElement("span");
+        span.classList.add(className);
+      }
+
+      span.appendChild(document.createTextNode(val.substr(pos, text.length)));
+      const rest = document.createTextNode(val.substr(pos + text.length));
+      parent.insertBefore(span, parent.insertBefore(rest, node.nextSibling));
+      node.nodeValue = val.substr(0, pos);
+      /* There may be more occurrences of search term in this node. So call this
+       * function recursively on the remaining fragment.
+       */
+      _highlight(rest, addItems, text, className);
+
+      if (isInSVG) {
+        const rect = document.createElementNS(
+          "http://www.w3.org/2000/svg",
+          "rect",
+        );
+        const bbox = parent.getBBox();
+        rect.x.baseVal.value = bbox.x;
+        rect.y.baseVal.value = bbox.y;
+        rect.width.baseVal.value = bbox.width;
+        rect.height.baseVal.value = bbox.height;
+        rect.setAttribute("class", className);
+        addItems.push({ parent: parent, target: rect });
+      }
+    }
+  } else if (node.matches && !node.matches("button, select, textarea")) {
+    node.childNodes.forEach((el) => _highlight(el, addItems, text, className));
+  }
+};
+const _highlightText = (thisNode, text, className) => {
+  let addItems = [];
+  _highlight(thisNode, addItems, text, className);
+  addItems.forEach((obj) =>
+    obj.parent.insertAdjacentElement("beforebegin", obj.target),
+  );
+};
+
+/**
+ * Small JavaScript module for the documentation.
+ */
+const SphinxHighlight = {
+  /**
+   * highlight the search words provided in localstorage in the text
+   */
+  highlightSearchWords: () => {
+    if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight
+
+    // get and clear terms from localstorage
+    const url = new URL(window.location);
+    const highlight =
+      localStorage.getItem("sphinx_highlight_terms")
+      || url.searchParams.get("highlight")
+      || "";
+    localStorage.removeItem("sphinx_highlight_terms");
+    // Update history only if '?highlight' is present; otherwise it
+    // clears text fragments (not set in window.location by the browser)
+    if (url.searchParams.has("highlight")) {
+      url.searchParams.delete("highlight");
+      window.history.replaceState({}, "", url);
+    }
+
+    // get individual terms from highlight string
+    const terms = highlight
+      .toLowerCase()
+      .split(/\s+/)
+      .filter((x) => x);
+    if (terms.length === 0) return; // nothing to do
+
+    // There should never be more than one element matching "div.body"
+    const divBody = document.querySelectorAll("div.body");
+    const body = divBody.length ? divBody[0] : document.querySelector("body");
+    window.setTimeout(() => {
+      terms.forEach((term) => _highlightText(body, term, "highlighted"));
+    }, 10);
+
+    const searchBox = document.getElementById("searchbox");
+    if (searchBox === null) return;
+    searchBox.appendChild(
+      document
+        .createRange()
+        .createContextualFragment(
+          '<p class="highlight-link">'
+            + '<a href="javascript:SphinxHighlight.hideSearchWords()">'
+            + _("Hide Search Matches")
+            + "</a></p>",
+        ),
+    );
+  },
+
+  /**
+   * helper function to hide the search marks again
+   */
+  hideSearchWords: () => {
+    document
+      .querySelectorAll("#searchbox .highlight-link")
+      .forEach((el) => el.remove());
+    document
+      .querySelectorAll("span.highlighted")
+      .forEach((el) => el.classList.remove("highlighted"));
+    localStorage.removeItem("sphinx_highlight_terms");
+  },
+
+  initEscapeListener: () => {
+    // only install a listener if it is really needed
+    if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return;
+
+    document.addEventListener("keydown", (event) => {
+      // bail for input elements
+      if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName))
+        return;
+      // bail with special keys
+      if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey)
+        return;
+      if (
+        DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS
+        && event.key === "Escape"
+      ) {
+        SphinxHighlight.hideSearchWords();
+        event.preventDefault();
+      }
+    });
+  },
+};
+
+_ready(() => {
+  /* Do not call highlightSearchWords() when we are on the search page.
+   * It will highlight words from the *previous* search query.
+   */
+  if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords();
+  SphinxHighlight.initEscapeListener();
+});
diff --git a/docs/python/genindex.html b/docs/python/genindex.html
index c7d42dc0..63228d46 100644
--- a/docs/python/genindex.html
+++ b/docs/python/genindex.html
@@ -1,19 +1,20 @@
+
+
 <!DOCTYPE html>
-<html class="writer-html5" lang="en" >
+<html class="writer-html5" lang="en" data-content_root="./">
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>Index &mdash; molgrid  documentation</title>
-      <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
-      <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
-  <!--[if lt IE 9]>
-    <script src="_static/js/html5shiv.min.js"></script>
-  <![endif]-->
+      <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
+      <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
+
   
-        <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-        <script src="_static/jquery.js"></script>
-        <script src="_static/underscore.js"></script>
-        <script src="_static/doctools.js"></script>
+      <script src="_static/jquery.js?v=5d32c60e"></script>
+      <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
+      <script src="_static/documentation_options.js?v=5929fcd5"></script>
+      <script src="_static/doctools.js?v=fd6eb6e6"></script>
+      <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
     <script src="_static/js/theme.js"></script>
     <link rel="index" title="Index" href="#" />
     <link rel="search" title="Search" href="search.html" /> 
@@ -24,11 +25,15 @@
     <nav data-toggle="wy-nav-shift" class="wy-nav-side">
       <div class="wy-side-scroll">
         <div class="wy-side-nav-search" >
-            <a href="index.html" class="icon icon-home"> molgrid
+
+          
+          
+          <a href="index.html" class="icon icon-home">
+            molgrid
           </a>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
-    <input type="text" name="q" placeholder="Search docs" />
+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
     <input type="hidden" name="check_keywords" value="yes" />
     <input type="hidden" name="area" value="default" />
   </form>
@@ -39,9 +44,6 @@
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html">libmolgrid Python documentation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#python-docs">Python Docs</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#indices-and-tables">Indices and tables</a></li>
 </ul>
 
         </div>
@@ -57,8 +59,8 @@
         <div class="rst-content">
           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-      <li><a href="index.html" class="icon icon-home"></a> &raquo;</li>
-      <li>Index</li>
+      <li><a href="index.html" class="icon icon-home" aria-label="Home"></a></li>
+      <li class="breadcrumb-item active">Index</li>
       <li class="wy-breadcrumbs-aside">
       </li>
   </ul>
@@ -125,6 +127,8 @@ <h2 id="B">B</h2>
       <li><a href="index.html#molgrid.GridMaker.backward_gradients">backward_gradients() (molgrid.GridMaker method)</a>
 </li>
       <li><a href="index.html#molgrid.ExampleProviderSettings.balanced">balanced (molgrid.ExampleProviderSettings property)</a>
+</li>
+      <li><a href="index.html#molgrid.torch_bindings.MolIterDataset.batch_to_tensors">batch_to_tensors() (molgrid.torch_bindings.MolIterDataset method)</a>
 </li>
       <li><a href="index.html#molgrid.torch_bindings.BatchedCoords2GridFunction">BatchedCoords2GridFunction (class in molgrid.torch_bindings)</a>
 </li>
@@ -146,7 +150,7 @@ <h2 id="C">C</h2>
       </ul></li>
       <li><a href="index.html#molgrid.CoordinateSet.clone">clone() (molgrid.CoordinateSet method)</a>
 </li>
-      <li><a href="index.html#molgrid.torch_bindings.MolDataset.collateMolDataset">collateMolDataset() (molgrid.torch_bindings.MolDataset static method)</a>
+      <li><a href="index.html#molgrid.torch_bindings.MolMapDataset.collateMolDataset">collateMolDataset() (molgrid.torch_bindings.MolMapDataset static method)</a>
 </li>
   </ul></td>
   <td style="width: 33%; vertical-align: top;"><ul>
@@ -187,6 +191,8 @@ <h2 id="E">E</h2>
       <li><a href="index.html#molgrid.ElementIndexTyper">ElementIndexTyper (class in molgrid)</a>
 </li>
       <li><a href="index.html#molgrid.Example">Example (class in molgrid)</a>
+</li>
+      <li><a href="index.html#molgrid.torch_bindings.MolIterDataset.example_to_tensor">example_to_tensor() (molgrid.torch_bindings.MolIterDataset method)</a>
 </li>
       <li><a href="index.html#molgrid.ExampleProvider">ExampleProvider (class in molgrid)</a>
 </li>
@@ -236,6 +242,8 @@ <h2 id="F">F</h2>
 <h2 id="G">G</h2>
 <table style="width: 100%" class="indextable genindextable"><tr>
   <td style="width: 33%; vertical-align: top;"><ul>
+      <li><a href="index.html#molgrid.torch_bindings.MolIterDataset.generate">generate() (molgrid.torch_bindings.MolIterDataset method)</a>
+</li>
       <li><a href="index.html#molgrid.ElementIndexTyper.get_atom_type_index">get_atom_type_index() (molgrid.ElementIndexTyper method)</a>
 
       <ul>
@@ -389,6 +397,8 @@ <h2 id="L">L</h2>
       <li><a href="index.html#molgrid.ExampleProvider.large_epoch_size">large_epoch_size() (molgrid.ExampleProvider method)</a>
 </li>
       <li><a href="index.html#molgrid.ExampleProviderSettings.ligmolcache">ligmolcache (molgrid.ExampleProviderSettings property)</a>
+</li>
+      <li><a href="index.html#molgrid.ExampleProvider.load_mem_caches">load_mem_caches() (molgrid.ExampleProvider method)</a>
 </li>
   </ul></td>
 </tr></table>
@@ -409,6 +419,8 @@ <h2 id="M">M</h2>
       <li><a href="index.html#molgrid.ExampleProviderSettings.max_group_size">max_group_size (molgrid.ExampleProviderSettings property)</a>
 </li>
       <li><a href="index.html#molgrid.CoordinateSet.max_type">max_type (molgrid.CoordinateSet property)</a>
+</li>
+      <li><a href="index.html#molgrid.ExampleProvider.mem_caches_size">mem_caches_size() (molgrid.ExampleProvider method)</a>
 </li>
       <li><a href="index.html#molgrid.Example.merge_coordinates">merge_coordinates() (molgrid.Example method)</a>
 </li>
@@ -423,8 +435,6 @@ <h2 id="M">M</h2>
         <li><a href="index.html#module-molgrid.torch_bindings">molgrid.torch_bindings</a>
 </li>
       </ul></li>
-      <li><a href="index.html#molgrid.torch_bindings.MolDataset">MolDataset (class in molgrid.torch_bindings)</a>
-</li>
       <li>
     molgrid
 
@@ -439,6 +449,10 @@ <h2 id="M">M</h2>
         <li><a href="index.html#module-molgrid.torch_bindings">module</a>
 </li>
       </ul></li>
+      <li><a href="index.html#molgrid.torch_bindings.MolIterDataset">MolIterDataset (class in molgrid.torch_bindings)</a>
+</li>
+      <li><a href="index.html#molgrid.torch_bindings.MolMapDataset">MolMapDataset (class in molgrid.torch_bindings)</a>
+</li>
   </ul></td>
 </tr></table>
 
@@ -549,6 +563,8 @@ <h2 id="R">R</h2>
 <h2 id="S">S</h2>
 <table style="width: 100%" class="indextable genindextable"><tr>
   <td style="width: 33%; vertical-align: top;"><ul>
+      <li><a href="index.html#molgrid.ExampleProvider.save_mem_caches">save_mem_caches() (molgrid.ExampleProvider method)</a>
+</li>
       <li><a href="index.html#molgrid.Example.seqcont">seqcont (molgrid.Example property)</a>
 </li>
       <li><a href="index.html#molgrid.GridMaker.set_binary">set_binary() (molgrid.GridMaker method)</a>
@@ -633,16 +649,14 @@ <h2 id="T">T</h2>
         <li><a href="index.html#molgrid.Example.togpu">(molgrid.Example method)</a>
 </li>
       </ul></li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="index.html#molgrid.tonumpy">tonumpy() (in module molgrid)</a>
 
       <ul>
         <li><a href="index.html#molgrid.GridMaker.tonumpy">(molgrid.GridMaker method)</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
-      <li><a href="index.html#molgrid.torch_bindings.Coords2Grid.training">training (molgrid.torch_bindings.Coords2Grid attribute)</a>
-</li>
       <li><a href="index.html#molgrid.Transform">Transform (class in molgrid)</a>
 </li>
       <li><a href="index.html#molgrid.Quaternion.transform">transform() (molgrid.Quaternion method)</a>
diff --git a/docs/python/index.html b/docs/python/index.html
index 06a87c85..225c8ea4 100644
--- a/docs/python/index.html
+++ b/docs/python/index.html
@@ -1,20 +1,21 @@
+
+
 <!DOCTYPE html>
-<html class="writer-html5" lang="en" >
+<html class="writer-html5" lang="en" data-content_root="./">
 <head>
-  <meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />
+  <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>libmolgrid Python documentation &mdash; molgrid  documentation</title>
-      <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
-      <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
-  <!--[if lt IE 9]>
-    <script src="_static/js/html5shiv.min.js"></script>
-  <![endif]-->
+      <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
+      <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
+
   
-        <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-        <script src="_static/jquery.js"></script>
-        <script src="_static/underscore.js"></script>
-        <script src="_static/doctools.js"></script>
+      <script src="_static/jquery.js?v=5d32c60e"></script>
+      <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
+      <script src="_static/documentation_options.js?v=5929fcd5"></script>
+      <script src="_static/doctools.js?v=fd6eb6e6"></script>
+      <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
     <script src="_static/js/theme.js"></script>
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" /> 
@@ -25,58 +26,25 @@
     <nav data-toggle="wy-nav-shift" class="wy-nav-side">
       <div class="wy-side-scroll">
         <div class="wy-side-nav-search" >
-            <a href="#" class="icon icon-home"> molgrid
+
+          
+          
+          <a href="#" class="icon icon-home">
+            molgrid
           </a>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
-    <input type="text" name="q" placeholder="Search docs" />
+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
     <input type="hidden" name="check_keywords" value="yes" />
     <input type="hidden" name="area" value="default" />
   </form>
 </div>
         </div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
-              <ul class="current">
+              <ul>
 <li class="toctree-l1"><a class="reference external" href="../index#://">Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1 current"><a class="current reference internal" href="#">libmolgrid Python documentation</a><ul>
-<li class="toctree-l2"><a class="reference external" href="../index#://">Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../about#://">About</a></li>
-<li class="toctree-l2"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#python-docs">Python Docs</a><ul>
-<li class="toctree-l2"><a class="reference internal" href="#module-molgrid.torch_bindings">molgrid.torch_bindings module</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#molgrid-module-classes">molgrid module classes</a><ul>
-<li class="toctree-l3"><a class="reference internal" href="#the-atomtyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-cartesiangrid-class">The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-coordinateset-class">The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-elementindextyper-class">The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-example-class">The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-exampleprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-exampleprovidersettings-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-examplevec-class">The <code class="docutils literal notranslate"><span class="pre">ExampleVec</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-fileatommapper-class">The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-filemappedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-filemappedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gninaindextyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gninavectortyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gridmaker-class">The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-nullindextyper-class">The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-pythoncallbackindextyper-class">The <code class="docutils literal notranslate"><span class="pre">PythonCallbackIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-pythoncallbackvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">PythonCallbackVectorTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-quaternion-class">The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-subsetatommapper-class">The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-subsettedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-transform-class">The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class</a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="#module-molgrid">Module contents</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#indices-and-tables">Indices and tables</a></li>
 </ul>
 
         </div>
@@ -92,8 +60,8 @@
         <div class="rst-content">
           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-      <li><a href="#" class="icon icon-home"></a> &raquo;</li>
-      <li>libmolgrid Python documentation</li>
+      <li><a href="#" class="icon icon-home" aria-label="Home"></a></li>
+      <li class="breadcrumb-item active">libmolgrid Python documentation</li>
       <li class="wy-breadcrumbs-aside">
             <a href="_sources/index.rst.txt" rel="nofollow"> View page source</a>
       </li>
@@ -104,71 +72,34 @@
            <div itemprop="articleBody">
              
   <section id="libmolgrid-python-documentation">
-<h1>libmolgrid Python documentation<a class="headerlink" href="#libmolgrid-python-documentation" title="Permalink to this headline"></a></h1>
+<h1>libmolgrid Python documentation<a class="headerlink" href="#libmolgrid-python-documentation" title="Link to this heading"></a></h1>
 <div class="toctree-wrapper compound">
-<ul class="current">
+<ul>
 <li class="toctree-l1"><a class="reference external" href="../index#://">Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../about#://">About</a></li>
 <li class="toctree-l1"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1 current"><a class="current reference internal" href="#">libmolgrid Python documentation</a><ul>
-<li class="toctree-l2"><a class="reference external" href="../index#://">Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../about#://">About</a></li>
-<li class="toctree-l2"><a class="reference external" href="../docs.html#://">Docs Home</a></li>
-<li class="toctree-l2"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#python-docs">Python Docs</a><ul>
-<li class="toctree-l2"><a class="reference internal" href="#module-molgrid.torch_bindings">molgrid.torch_bindings module</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#molgrid-module-classes">molgrid module classes</a><ul>
-<li class="toctree-l3"><a class="reference internal" href="#the-atomtyper-class">The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-cartesiangrid-class">The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-coordinateset-class">The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-elementindextyper-class">The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-example-class">The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-exampleprovider-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-exampleprovidersettings-class">The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-examplevec-class">The <code class="docutils literal notranslate"><span class="pre">ExampleVec</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-fileatommapper-class">The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-filemappedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-filemappedgninatyper-class">The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gninaindextyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gninavectortyper-class">The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-gridmaker-class">The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-nullindextyper-class">The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-pythoncallbackindextyper-class">The <code class="docutils literal notranslate"><span class="pre">PythonCallbackIndexTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-pythoncallbackvectortyper-class">The <code class="docutils literal notranslate"><span class="pre">PythonCallbackVectorTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-quaternion-class">The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-subsetatommapper-class">The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-subsettedelementtyper-class">The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class</a></li>
-<li class="toctree-l3"><a class="reference internal" href="#the-transform-class">The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class</a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="#module-molgrid">Module contents</a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="#indices-and-tables">Indices and tables</a></li>
 </ul>
 </div>
 </section>
 <section id="python-docs">
-<h1>Python Docs<a class="headerlink" href="#python-docs" title="Permalink to this headline"></a></h1>
+<h1>Python Docs<a class="headerlink" href="#python-docs" title="Link to this heading"></a></h1>
 <section id="module-molgrid.torch_bindings">
-<span id="molgrid-torch-bindings-module"></span><h2>molgrid.torch_bindings module<a class="headerlink" href="#module-molgrid.torch_bindings" title="Permalink to this headline"></a></h2>
+<span id="molgrid-torch-bindings-module"></span><h2>molgrid.torch_bindings module<a class="headerlink" href="#module-molgrid.torch_bindings" title="Link to this heading"></a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.BatchedCoords2GridFunction">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">BatchedCoords2GridFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">torch.autograd.function.Function</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">BatchedCoords2GridFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Function</span></code></p>
 <p>Layer for converting from coordinate and type tensors to a molecular grid using batched input</p>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.BatchedCoords2GridFunction.backward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction.backward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction.backward" title="Link to this definition"></a></dt>
 <dd><p>Return Nx3 coordinate gradient and NxT type gradient</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.BatchedCoords2GridFunction.forward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction.forward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.BatchedCoords2GridFunction.forward" title="Link to this definition"></a></dt>
 <dd><p>coords are BxNx3, types are BxNxT, radii are BxN</p>
 </dd></dl>
 
@@ -176,54 +107,36 @@ <h1>Python Docs<a class="headerlink" href="#python-docs" title="Permalink to thi
 
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2Grid">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Coords2Grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">(0,</span> <span class="pre">0,</span> <span class="pre">0)</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">torch.nn.modules.module.Module</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Coords2Grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Module</span></code></p>
 <p>Convert coordinates/types/radii to a grid using the provided
 GridMaker and grid center</p>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2Grid.extra_repr">
-<span class="sig-name descname"><span class="pre">extra_repr</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid.extra_repr" title="Permalink to this definition"></a></dt>
-<dd><p>Set the extra representation of the module</p>
-<p>To print customized extra information, you should re-implement
-this method in your own modules. Both single-line and multi-line
-strings are acceptable.</p>
-</dd></dl>
+<span class="sig-name descname"><span class="pre">extra_repr</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid.extra_repr" title="Link to this definition"></a></dt>
+<dd></dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2Grid.forward">
-<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid.forward" title="Permalink to this definition"></a></dt>
-<dd><p>Defines the computation performed at every call.</p>
-<p>Should be overridden by all subclasses.</p>
-<div class="admonition note">
-<p class="admonition-title">Note</p>
-<p>Although the recipe for forward pass needs to be defined within
-this function, one should call the <code class="xref py py-class docutils literal notranslate"><span class="pre">Module</span></code> instance afterwards
-instead of this since the former takes care of running the
-registered hooks while the latter silently ignores them.</p>
-</div>
-</dd></dl>
-
-<dl class="py attribute">
-<dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2Grid.training">
-<span class="sig-name descname"><span class="pre">training</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">bool</span></em><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid.training" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2Grid.forward" title="Link to this definition"></a></dt>
 <dd></dd></dl>
 
 </dd></dl>
 
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2GridFunction">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Coords2GridFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">torch.autograd.function.Function</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Coords2GridFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Function</span></code></p>
 <p>Layer for converting from coordinate and type tensors to a molecular grid</p>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2GridFunction.backward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction.backward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction.backward" title="Link to this definition"></a></dt>
 <dd><p>Return Nx3 coordinate gradient and NxT type gradient</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Coords2GridFunction.forward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction.forward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Coords2GridFunction.forward" title="Link to this definition"></a></dt>
 <dd><p>coords are Nx3, types are NxT, radii are N</p>
 </dd></dl>
 
@@ -231,27 +144,60 @@ <h1>Python Docs<a class="headerlink" href="#python-docs" title="Permalink to thi
 
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Grid2CoordsGradientFunction">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Grid2CoordsGradientFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">torch.autograd.function.Function</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">Grid2CoordsGradientFunction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Function</span></code></p>
 <p>Backwards pass of grid generation so can create graph of gradient calculation</p>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Grid2CoordsGradientFunction.backward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grad_coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grad_types</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction.backward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grad_coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grad_types</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction.backward" title="Link to this definition"></a></dt>
 <dd><p>Return second order grid gradient</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.Grid2CoordsGradientFunction.forward">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction.forward" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ctx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">gmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">types</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radii</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_gradient</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.Grid2CoordsGradientFunction.forward" title="Link to this definition"></a></dt>
 <dd><p>Return Nx3 coordinate gradient and NxT type gradient</p>
 </dd></dl>
 
 </dd></dl>
 
 <dl class="py class">
-<dt class="sig sig-object py" id="molgrid.torch_bindings.MolDataset">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">MolDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolDataset" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">torch.utils.data.dataset.Dataset</span></code></p>
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolIterDataset">
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">MolIterDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolIterDataset" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">IterableDataset</span></code></p>
+<p>A pytorch iterable dataset for molgrid training files. Use with a DataLoader(batch_size=None) for best results.</p>
+<p>Initialize mappable MolGridDataset.
+:param input(s): File name(s) of training example files
+:param typers: A tuple of AtomTypers to use
+:type typers: tuple
+:param cache_structs: retain coordinates in memory for faster training
+:param add_hydrogens: protonate molecules read using openbabel
+:param duplicate_first: clone the first coordinate set to be paired with each of the remaining (receptor-ligand pairs)
+:param make_vector_types: convert index types into one-hot encoded vector types
+:param data_root: prefix for data files
+:param recmolcache: precalculated molcache2 file for receptor (first molecule); if doesn’t exist, will look in data _root
+:param ligmolcache: precalculated molcache2 file for ligand; if doesn’t exist, will look in data_root</p>
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolIterDataset.batch_to_tensors">
+<span class="sig-name descname"><span class="pre">batch_to_tensors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolIterDataset.batch_to_tensors" title="Link to this definition"></a></dt>
+<dd></dd></dl>
+
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolIterDataset.example_to_tensor">
+<span class="sig-name descname"><span class="pre">example_to_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ex</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolIterDataset.example_to_tensor" title="Link to this definition"></a></dt>
+<dd></dd></dl>
+
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolIterDataset.generate">
+<span class="sig-name descname"><span class="pre">generate</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolIterDataset.generate" title="Link to this definition"></a></dt>
+<dd></dd></dl>
+
+</dd></dl>
+
+<dl class="py class">
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolMapDataset">
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">MolMapDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolMapDataset" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Dataset</span></code></p>
 <p>A pytorch mappable dataset for molgrid training files.</p>
 <p>Initialize mappable MolGridDataset.
 :param input(s): File name(s) of training example files
@@ -265,9 +211,9 @@ <h1>Python Docs<a class="headerlink" href="#python-docs" title="Permalink to thi
 :param recmolcache: precalculated molcache2 file for receptor (first molecule); if doesn’t exist, will look in data _root
 :param ligmolcache: precalculated molcache2 file for ligand; if doesn’t exist, will look in data_root</p>
 <dl class="py method">
-<dt class="sig sig-object py" id="molgrid.torch_bindings.MolDataset.collateMolDataset">
-<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">collateMolDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolDataset.collateMolDataset" title="Permalink to this definition"></a></dt>
-<dd><p>collate_fn for use in torch.utils.data.Dataloader when using the MolDataset.
+<dt class="sig sig-object py" id="molgrid.torch_bindings.MolMapDataset.collateMolDataset">
+<span class="property"><span class="k"><span class="pre">static</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">collateMolDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.MolMapDataset.collateMolDataset" title="Link to this definition"></a></dt>
+<dd><p>collate_fn for use in torch.utils.data.Dataloader when using the MolMapDataset.
 Returns lengths, centers, coords, types, radii, labels all padded to fit maximum size of batch</p>
 </dd></dl>
 
@@ -275,25 +221,25 @@ <h1>Python Docs<a class="headerlink" href="#python-docs" title="Permalink to thi
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.make_grid_tensor">
-<span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">make_grid_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">gridmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.make_grid_tensor" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">make_grid_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">gridmaker</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.make_grid_tensor" title="Link to this definition"></a></dt>
 <dd><p>Create appropriately sized pytorch tensor of grid densities.  set_gpu_enabled can be used to control if result is located on the cpu or gpu</p>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.torch_bindings.tensor_as_grid">
-<span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">tensor_as_grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">t</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.tensor_as_grid" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.torch_bindings.</span></span><span class="sig-name descname"><span class="pre">tensor_as_grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">t</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.torch_bindings.tensor_as_grid" title="Link to this definition"></a></dt>
 <dd><p>Return a Grid view of tensor t</p>
 </dd></dl>
 
 </section>
 <section id="molgrid-module-classes">
-<h2>molgrid module classes<a class="headerlink" href="#molgrid-module-classes" title="Permalink to this headline"></a></h2>
+<h2>molgrid module classes<a class="headerlink" href="#molgrid-module-classes" title="Link to this heading"></a></h2>
 <section id="the-atomtyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class<a class="headerlink" href="#the-atomtyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</span></code> class<a class="headerlink" href="#the-atomtyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.AtomTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">AtomTyper</span></span><a class="headerlink" href="#molgrid.AtomTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">AtomTyper</span></span><a class="headerlink" href="#molgrid.AtomTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <p>Base class for all atom typers</p>
 <p>Raises an exception
 This class cannot be instantiated from Python</p>
@@ -301,11 +247,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">AtomTyper</
 
 </section>
 <section id="the-cartesiangrid-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class<a class="headerlink" href="#the-cartesiangrid-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">CartesianGrid</span></code> class<a class="headerlink" href="#the-cartesiangrid-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.CartesianGrid">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">CartesianGrid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(MGrid3f)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg4</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">CartesianGrid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(MGrid3f)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg4</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>Wrapper around grid of type G that imposes Cartesian coordinates.
 Includes center and resolution and supports (eventually) interpolation.</p>
@@ -317,27 +263,27 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CartesianGr
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CartesianGrid.center">
-<span class="sig-name descname"><span class="pre">center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.center" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.center" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>float3 center(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt; &gt; {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>float3 center(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt;&gt; {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CartesianGrid.grid">
-<span class="sig-name descname"><span class="pre">grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">MGrid3f</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.grid" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">grid</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">MGrid3f</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.grid" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>libmolgrid::ManagedGrid&lt;float, 3ul&gt; grid(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt; &gt; {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>libmolgrid::ManagedGrid&lt;float, 3ul&gt; grid(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt;&gt; {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CartesianGrid.resolution">
-<span class="sig-name descname"><span class="pre">resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.resolution" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CartesianGrid)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CartesianGrid.resolution" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>float resolution(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt; &gt; {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>float resolution(libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt;&gt; {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
@@ -346,11 +292,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CartesianGr
 
 </section>
 <section id="the-coordinateset-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class<a class="headerlink" href="#the-coordinateset-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateSet</span></code> class<a class="headerlink" href="#the-coordinateset-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">CoordinateSet</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">CoordinateSet</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>A collection of typed atomic coordinates</p>
 <p>Types may be specified either as an index or a dense vector.
@@ -408,7 +354,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.center">
-<span class="sig-name descname"><span class="pre">center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.center" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.center" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float3 center(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -417,7 +363,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.clone">
-<span class="sig-name descname"><span class="pre">clone</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CoordinateSet</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.clone" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">clone</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CoordinateSet</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.clone" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::CoordinateSet clone(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -426,13 +372,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.coords">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">coords</span></span><a class="headerlink" href="#molgrid.CoordinateSet.coords" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">coords</span></span><a class="headerlink" href="#molgrid.CoordinateSet.coords" title="Link to this definition"></a></dt>
 <dd><p>coordinates</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.copyTo">
-<span class="sig-name descname"><span class="pre">copyTo</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg4</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.copyTo" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">copyTo</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg4</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.copyTo" title="Link to this definition"></a></dt>
 <dd><p>copy into coord/type/radii grids</p>
 <blockquote>
 <div><dl class="simple">
@@ -464,7 +410,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.has_indexed_types">
-<span class="sig-name descname"><span class="pre">has_indexed_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.has_indexed_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">has_indexed_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.has_indexed_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool has_indexed_types(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -473,7 +419,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.has_vector_types">
-<span class="sig-name descname"><span class="pre">has_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.has_vector_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">has_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.has_vector_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool has_vector_types(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -482,7 +428,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.make_vector_types">
-<span class="sig-name descname"><span class="pre">make_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)include_dummy_type=False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)type_radii=[]</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.make_vector_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">make_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)include_dummy_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)type_radii</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">[]</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.make_vector_types" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>convert index types to vector types in-place
@@ -495,7 +441,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 </dd>
 </dl>
 </div></blockquote>
-<p>make_vector_types( (CoordinateSet)arg1 [, (bool)include_dummy_type=False [, (FloatVec)type_radii=&lt;molgrid.molgrid.FloatVec object at 0x7ff808209350&gt;]]) -&gt; None :</p>
+<p>make_vector_types( (CoordinateSet)arg1 [, (bool)include_dummy_type=False [, (FloatVec)type_radii=&lt;molgrid.molgrid.FloatVec object at 0x10c9774c0&gt;]]) -&gt; None :</p>
 <blockquote>
 <div><blockquote>
 <div><p>convert index types to vector types in-place
@@ -504,7 +450,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 </div></blockquote>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void make_vector_types(libmolgrid::CoordinateSet {lvalue} [,bool=False [,std::vector&lt;float, std::allocator&lt;float&gt; &gt;=&lt;molgrid.molgrid.FloatVec object at 0x7ff808209350&gt;]])</p>
+<dt>C++ signature :</dt><dd><p>void make_vector_types(libmolgrid::CoordinateSet {lvalue} [,bool=False [,std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt;=&lt;molgrid.molgrid.FloatVec object at 0x10c9774c0&gt;]])</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -512,13 +458,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.max_type">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_type</span></span><a class="headerlink" href="#molgrid.CoordinateSet.max_type" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">max_type</span></span><a class="headerlink" href="#molgrid.CoordinateSet.max_type" title="Link to this definition"></a></dt>
 <dd><p>largest type index</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -527,13 +473,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.radii">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">radii</span></span><a class="headerlink" href="#molgrid.CoordinateSet.radii" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">radii</span></span><a class="headerlink" href="#molgrid.CoordinateSet.radii" title="Link to this definition"></a></dt>
 <dd><p>atomic radii</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.size">
-<span class="sig-name descname"><span class="pre">size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.size" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.size" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int size(libmolgrid::CoordinateSet {lvalue})</p>
 </dd>
@@ -542,13 +488,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.src">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">src</span></span><a class="headerlink" href="#molgrid.CoordinateSet.src" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">src</span></span><a class="headerlink" href="#molgrid.CoordinateSet.src" title="Link to this definition"></a></dt>
 <dd><p>file source of coordinates</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.sum_types">
-<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.sum_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.sum_types" title="Link to this definition"></a></dt>
 <dd><p>sum types across atoms</p>
 <blockquote>
 <div><dl class="simple">
@@ -568,33 +514,33 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.tocpu">
-<span class="sig-name descname"><span class="pre">tocpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.tocpu" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">tocpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)copy</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.tocpu" title="Link to this definition"></a></dt>
 <dd><p>set memory affinity to CPU</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void tocpu(libmolgrid::CoordinateSet {lvalue},bool)</p>
+<dt>C++ signature :</dt><dd><p>void tocpu(libmolgrid::CoordinateSet {lvalue} [,bool=True])</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.togpu">
-<span class="sig-name descname"><span class="pre">togpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.togpu" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">togpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)copy</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.CoordinateSet.togpu" title="Link to this definition"></a></dt>
 <dd><p>set memory affinity to GPU</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void togpu(libmolgrid::CoordinateSet {lvalue},bool)</p>
+<dt>C++ signature :</dt><dd><p>void togpu(libmolgrid::CoordinateSet {lvalue} [,bool=True])</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.type_index">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">type_index</span></span><a class="headerlink" href="#molgrid.CoordinateSet.type_index" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">type_index</span></span><a class="headerlink" href="#molgrid.CoordinateSet.type_index" title="Link to this definition"></a></dt>
 <dd><p>indexed types</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.CoordinateSet.type_vector">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">type_vector</span></span><a class="headerlink" href="#molgrid.CoordinateSet.type_vector" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">type_vector</span></span><a class="headerlink" href="#molgrid.CoordinateSet.type_vector" title="Link to this definition"></a></dt>
 <dd><p>vector types</p>
 </dd></dl>
 
@@ -602,11 +548,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">CoordinateS
 
 </section>
 <section id="the-elementindextyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class<a class="headerlink" href="#the-elementindextyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">ElementIndexTyper</span></code> class<a class="headerlink" href="#the-elementindextyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.ElementIndexTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ElementIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ElementIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <p>Calculate element types</p>
 <p>There are quite a few elements, so should probably run this through
 an organic chem atom mapper that reduces to number of types.
@@ -627,34 +573,34 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ElementInde
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ElementIndexTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::ElementIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::ElementIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ElementIndexTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::ElementIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::ElementIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ElementIndexTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::ElementIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::ElementIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ElementIndexTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ElementIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ElementIndexTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::ElementIndexTyper {lvalue})</p>
 </dd>
@@ -665,11 +611,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ElementInde
 
 </section>
 <section id="the-example-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class<a class="headerlink" href="#the-example-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">Example</span></code> class<a class="headerlink" href="#the-example-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.Example">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Example</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Example</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>A single example represented by its typed coordinates and label(s)</p>
 </div></blockquote>
@@ -680,17 +626,27 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 </dl>
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.Example.coord_sets">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">coord_sets</span></span><a class="headerlink" href="#molgrid.Example.coord_sets" title="Permalink to this definition"></a></dt>
-<dd></dd></dl>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">coord_sets</span></span><a class="headerlink" href="#molgrid.Example.coord_sets" title="Link to this definition"></a></dt>
+<dd><p>None( (molgrid.molgrid.Example)arg1) -&gt; molgrid.molgrid.CoordinateSetVec:</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;libmolgrid::CoordinateSet, std::__1::allocator&lt;libmolgrid::CoordinateSet&gt;&gt; {lvalue} None(libmolgrid::Example {lvalue})</p>
+</dd>
+</dl>
+</dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.Example.group">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">group</span></span><a class="headerlink" href="#molgrid.Example.group" title="Permalink to this definition"></a></dt>
-<dd></dd></dl>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">group</span></span><a class="headerlink" href="#molgrid.Example.group" title="Link to this definition"></a></dt>
+<dd><p>None( (molgrid.molgrid.Example)arg1) -&gt; int:</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>int {lvalue} None(libmolgrid::Example {lvalue})</p>
+</dd>
+</dl>
+</dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.has_index_types">
-<span class="sig-name descname"><span class="pre">has_index_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start=0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.has_index_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">has_index_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.has_index_types" title="Link to this definition"></a></dt>
 <dd><p>uses index typing</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool has_index_types(libmolgrid::Example {lvalue} [,unsigned int=0])</p>
@@ -700,7 +656,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.has_vector_types">
-<span class="sig-name descname"><span class="pre">has_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start=0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.has_vector_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">has_vector_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.has_vector_types" title="Link to this definition"></a></dt>
 <dd><p>uses vector typing</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool has_vector_types(libmolgrid::Example {lvalue} [,unsigned int=0])</p>
@@ -710,22 +666,27 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.Example.labels">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">labels</span></span><a class="headerlink" href="#molgrid.Example.labels" title="Permalink to this definition"></a></dt>
-<dd></dd></dl>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">labels</span></span><a class="headerlink" href="#molgrid.Example.labels" title="Link to this definition"></a></dt>
+<dd><p>None( (molgrid.molgrid.Example)arg1) -&gt; molgrid.molgrid.FloatVec:</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; {lvalue} None(libmolgrid::Example {lvalue})</p>
+</dd>
+</dl>
+</dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.merge_coordinates">
-<span class="sig-name descname"><span class="pre">merge_coordinates</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start=0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_index_types=True</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CoordinateSet</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.merge_coordinates" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">merge_coordinates</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)start</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_index_types</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CoordinateSet</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.merge_coordinates" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Combine all coordinate sets into one and return it.
 All coordinate sets must have the same kind of typing.  The result is a copy of the input coordinates.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param start</dt>
+<dt class="field-odd">param start<span class="colon">:</span></dt>
 <dd class="field-odd"><p>ignore coordinates sets prior to this index (default zero)</p>
 </dd>
-<dt class="field-even">param unique_indexed_types</dt>
+<dt class="field-even">param unique_indexed_types<span class="colon">:</span></dt>
 <dd class="field-even"><p>if true, different coordinate sets will have unique, non-overlapping types</p>
 </dd>
 </dl>
@@ -742,19 +703,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 All coordinate sets must have index typing</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param coords</dt>
+<dt class="field-odd">param coords<span class="colon">:</span></dt>
 <dd class="field-odd"><p>combined coordinates</p>
 </dd>
-<dt class="field-even">param type_index</dt>
+<dt class="field-even">param type_index<span class="colon">:</span></dt>
 <dd class="field-even"><p>combined types</p>
 </dd>
-<dt class="field-odd">param radii</dt>
+<dt class="field-odd">param radii<span class="colon">:</span></dt>
 <dd class="field-odd"><p>combined radii</p>
 </dd>
-<dt class="field-even">param start</dt>
+<dt class="field-even">param start<span class="colon">:</span></dt>
 <dd class="field-even"><p>ignore coordinates sets prior to this index (default zero)</p>
 </dd>
-<dt class="field-odd">param unique_indexed_types</dt>
+<dt class="field-odd">param unique_indexed_types<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if true, different coordinate sets will have unique, non-overlapping types</p>
 </dd>
 </dl>
@@ -771,19 +732,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 All coordinate sets must have vector typing</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param coords</dt>
+<dt class="field-odd">param coords<span class="colon">:</span></dt>
 <dd class="field-odd"><p>combined coordinates</p>
 </dd>
-<dt class="field-even">param type_index</dt>
+<dt class="field-even">param type_index<span class="colon">:</span></dt>
 <dd class="field-even"><p>combined types</p>
 </dd>
-<dt class="field-odd">param radii</dt>
+<dt class="field-odd">param radii<span class="colon">:</span></dt>
 <dd class="field-odd"><p>combined radii</p>
 </dd>
-<dt class="field-even">param start</dt>
+<dt class="field-even">param start<span class="colon">:</span></dt>
 <dd class="field-even"><p>ignore coordinates sets prior to this index (default zero)</p>
 </dd>
-<dt class="field-odd">param unique_indexed_types</dt>
+<dt class="field-odd">param unique_indexed_types<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if true, different coordinate sets will have unique, non-overlapping types</p>
 </dd>
 </dl>
@@ -797,7 +758,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.num_coordinates">
-<span class="sig-name descname"><span class="pre">num_coordinates</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.num_coordinates" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_coordinates</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.num_coordinates" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long num_coordinates(libmolgrid::Example {lvalue})</p>
 </dd>
@@ -806,7 +767,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_index_type=True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_index_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long num_types(libmolgrid::Example {lvalue} [,bool=True])</p>
 </dd>
@@ -815,12 +776,17 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.Example.seqcont">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">seqcont</span></span><a class="headerlink" href="#molgrid.Example.seqcont" title="Permalink to this definition"></a></dt>
-<dd></dd></dl>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">seqcont</span></span><a class="headerlink" href="#molgrid.Example.seqcont" title="Link to this definition"></a></dt>
+<dd><p>None( (molgrid.molgrid.Example)arg1) -&gt; bool:</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>bool {lvalue} None(libmolgrid::Example {lvalue})</p>
+</dd>
+</dl>
+</dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.sum_types">
-<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1fCUDA)sum</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_types=True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.sum_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1fCUDA)sum</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_types</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.sum_types" title="Link to this definition"></a></dt>
 <dd><p>sum types across atoms in coordinate sets</p>
 <blockquote>
 <div><dl class="simple">
@@ -840,7 +806,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.tocpu">
-<span class="sig-name descname"><span class="pre">tocpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.tocpu" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">tocpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.tocpu" title="Link to this definition"></a></dt>
 <dd><p>set memory affinity to CPU</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void tocpu(libmolgrid::Example {lvalue})</p>
@@ -850,7 +816,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Example.togpu">
-<span class="sig-name descname"><span class="pre">togpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.togpu" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">togpu</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Example)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Example.togpu" title="Link to this definition"></a></dt>
 <dd><p>set memory affinity to GPU</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void togpu(libmolgrid::Example {lvalue})</p>
@@ -862,11 +828,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Example</sp
 
 </section>
 <section id="the-exampleprovider-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class<a class="headerlink" href="#the-exampleprovider-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProvider</span></code> class<a class="headerlink" href="#the-exampleprovider-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleProvider</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleProvider</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>Given a file of examples, provide Example classes one at a time
 This contains an ExampleRefProvider, which can be configured using a
@@ -874,8 +840,9 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 Note that cache_structs is true by default which will load the entirety
 of the dataset into memory.</p>
 <p>An example files contains a single example on each line where an example
-consists of some number of numerical labels (num_labels, will be auto-detected
-if not specified) followed by file paths to molecular data, all space separated.</p>
+consists of some number of numerical labels (num_labels, will be
+auto-detected if not specified) followed by file paths to molecular data, all
+space separated.</p>
 </div></blockquote>
 <p>/</p>
 <blockquote>
@@ -894,7 +861,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.get_large_epoch_num">
-<span class="sig-name descname"><span class="pre">get_large_epoch_num</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_large_epoch_num" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_large_epoch_num</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_large_epoch_num" title="Link to this definition"></a></dt>
 <dd><p>Return large epoch number, where an epoch means every example has been seen at LEAST once.</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long get_large_epoch_num(libmolgrid::ExampleProvider {lvalue})</p>
@@ -904,7 +871,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.get_small_epoch_num">
-<span class="sig-name descname"><span class="pre">get_small_epoch_num</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_small_epoch_num" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_small_epoch_num</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_small_epoch_num" title="Link to this definition"></a></dt>
 <dd><p>Return small epoch number, where an epoch means every example has been seen at MOST once.</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long get_small_epoch_num(libmolgrid::ExampleProvider {lvalue})</p>
@@ -914,16 +881,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::ExampleProvider {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.large_epoch_size">
-<span class="sig-name descname"><span class="pre">large_epoch_size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.large_epoch_size" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">large_epoch_size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.large_epoch_size" title="Link to this definition"></a></dt>
 <dd><p>Return size of large epoch</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long large_epoch_size(libmolgrid::ExampleProvider {lvalue})</p>
@@ -931,9 +898,29 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 </dl>
 </dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.ExampleProvider.load_mem_caches">
+<span class="sig-name descname"><span class="pre">load_mem_caches</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.load_mem_caches" title="Link to this definition"></a></dt>
+<dd><p>Read specified file into in-memory cache.</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>void load_mem_caches(libmolgrid::ExampleProvider {lvalue},std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;)</p>
+</dd>
+</dl>
+</dd></dl>
+
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.ExampleProvider.mem_caches_size">
+<span class="sig-name descname"><span class="pre">mem_caches_size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.mem_caches_size" title="Link to this definition"></a></dt>
+<dd><p>Return number of elements currently cached in-memory.</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>unsigned long mem_caches_size(libmolgrid::ExampleProvider {lvalue})</p>
+</dd>
+</dl>
+</dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.next">
-<span class="sig-name descname"><span class="pre">next</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Example</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.next" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">next</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Example</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.next" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::Example next(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
@@ -942,16 +929,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.next_batch">
-<span class="sig-name descname"><span class="pre">next_batch</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)batch_size=0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">ExampleVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.next_batch" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">next_batch</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)batch_size</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">ExampleVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.next_batch" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt; next_batch(libmolgrid::ExampleProvider {lvalue} [,unsigned int=0])</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt; next_batch(libmolgrid::ExampleProvider {lvalue} [,unsigned int=0])</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.num_labels">
-<span class="sig-name descname"><span class="pre">num_labels</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.num_labels" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_labels</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.num_labels" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long num_labels(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
@@ -960,7 +947,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long num_types(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
@@ -969,10 +956,10 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.populate">
-<span class="sig-name descname"><span class="pre">populate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)num_labels=-1</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.populate" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">populate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)num_labels</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">-1</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.populate" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void populate(libmolgrid::ExampleProvider {lvalue},std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; [,int=-1])</p>
+<dt>C++ signature :</dt><dd><p>void populate(libmolgrid::ExampleProvider {lvalue},std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt; [,int=-1])</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -987,7 +974,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.reset">
-<span class="sig-name descname"><span class="pre">reset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.reset" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">reset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.reset" title="Link to this definition"></a></dt>
 <dd><p>Reset iterator to beginning</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void reset(libmolgrid::ExampleProvider {lvalue})</p>
@@ -995,9 +982,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 </dl>
 </dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="molgrid.ExampleProvider.save_mem_caches">
+<span class="sig-name descname"><span class="pre">save_mem_caches</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.save_mem_caches" title="Link to this definition"></a></dt>
+<dd><p>Write current in-memory cache state to specified file.</p>
+<dl class="simple">
+<dt>C++ signature :</dt><dd><p>void save_mem_caches(libmolgrid::ExampleProvider {lvalue},std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;)</p>
+</dd>
+</dl>
+</dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.settings">
-<span class="sig-name descname"><span class="pre">settings</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">ExampleProviderSettings</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.settings" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">settings</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">ExampleProviderSettings</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.settings" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::ExampleProviderSettings settings(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
@@ -1006,7 +1003,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.size">
-<span class="sig-name descname"><span class="pre">size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.size" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.size" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long size(libmolgrid::ExampleProvider {lvalue})</p>
 </dd>
@@ -1015,7 +1012,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleProvider.small_epoch_size">
-<span class="sig-name descname"><span class="pre">small_epoch_size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.small_epoch_size" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">small_epoch_size</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleProvider)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProvider.small_epoch_size" title="Link to this definition"></a></dt>
 <dd><p>Return size of small epoch</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned long small_epoch_size(libmolgrid::ExampleProvider {lvalue})</p>
@@ -1027,63 +1024,72 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 </section>
 <section id="the-exampleprovidersettings-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class<a class="headerlink" href="#the-exampleprovidersettings-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProviderSettings</span></code> class<a class="headerlink" href="#the-exampleprovidersettings-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleProviderSettings</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
-<dl class="simple">
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleProviderSettings</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
+<blockquote>
+<div><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*)</p>
 </dd>
 </dl>
+</div></blockquote>
+<p>object __init__(tuple args, dict kwds) :</p>
+<blockquote>
+<div><dl class="simple">
+<dt>C++ signature :</dt><dd><p>object __init__(tuple args, dict kwds)</p>
+</dd>
+</dl>
+</div></blockquote>
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.add_hydrogens">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">add_hydrogens</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.add_hydrogens" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">add_hydrogens</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.add_hydrogens" title="Link to this definition"></a></dt>
 <dd><p>protonate read in molecule using openbabel</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.balanced">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">balanced</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.balanced" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">balanced</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.balanced" title="Link to this definition"></a></dt>
 <dd><p>provide equal number of positive and negative examples as determined by label</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.cache_structs">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">cache_structs</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.cache_structs" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">cache_structs</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.cache_structs" title="Link to this definition"></a></dt>
 <dd><p>retain coordinates in memory for faster training</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.data_root">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">data_root</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.data_root" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">data_root</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.data_root" title="Link to this definition"></a></dt>
 <dd><p>prefix for data files</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.default_batch_size">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">default_batch_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.default_batch_size" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">default_batch_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.default_batch_size" title="Link to this definition"></a></dt>
 <dd><p>default batch size</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.duplicate_first">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">duplicate_first</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.duplicate_first" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">duplicate_first</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.duplicate_first" title="Link to this definition"></a></dt>
 <dd><p>clone the first coordinate set to be paired with each of the remaining (receptor-ligand pairs)</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.group_batch_size">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">group_batch_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.group_batch_size" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">group_batch_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.group_batch_size" title="Link to this definition"></a></dt>
 <dd><p>slice time series (groups) by batches of this size</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.iteration_scheme">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">iteration_scheme</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.iteration_scheme" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">iteration_scheme</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.iteration_scheme" title="Link to this definition"></a></dt>
 <dd><p>Continuous, LargeEpoch, SmallEpoch</p>
 <dl class="field-list simple">
-<dt class="field-odd">Type</dt>
+<dt class="field-odd">Type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>how to iterate over examples; note that the last batch may get padded with example from the next epoch. Options are</p>
 </dd>
 </dl>
@@ -1091,79 +1097,79 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.labelpos">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">labelpos</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.labelpos" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">labelpos</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.labelpos" title="Link to this definition"></a></dt>
 <dd><p>position of binary label</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.ligmolcache">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ligmolcache</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.ligmolcache" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">ligmolcache</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.ligmolcache" title="Link to this definition"></a></dt>
 <dd><p>precalculated molcache2 file for ligand; if doesn’t exist, will look in data_root</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.make_vector_types">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">make_vector_types</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.make_vector_types" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">make_vector_types</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.make_vector_types" title="Link to this definition"></a></dt>
 <dd><p>convert index types into one-hot encoded vector types</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.max_group_size">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_group_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.max_group_size" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">max_group_size</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.max_group_size" title="Link to this definition"></a></dt>
 <dd><p>maximum group size, all groups are padded out to this size; example file must contain group number in first column</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.num_copies">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_copies</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.num_copies" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">num_copies</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.num_copies" title="Link to this definition"></a></dt>
 <dd><p>number of times to repeatedly produce an example</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.recmolcache">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">recmolcache</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.recmolcache" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">recmolcache</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.recmolcache" title="Link to this definition"></a></dt>
 <dd><p>precalculated molcache2 file for receptor (first molecule); if doesn’t exist, will look in data _root</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.shuffle">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">shuffle</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.shuffle" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">shuffle</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.shuffle" title="Link to this definition"></a></dt>
 <dd><p>randomize order of examples</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_abs">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_abs</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_abs" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_abs</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_abs" title="Link to this definition"></a></dt>
 <dd><p>stratify based on absolute value, for cases where negative has special meaning (e.g., hinge loss indicator)</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_max">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_max</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_max" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_max</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_max" title="Link to this definition"></a></dt>
 <dd><p>maximum range for value stratification</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_min">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_min</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_min" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_min</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_min" title="Link to this definition"></a></dt>
 <dd><p>minimum range for value stratification</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_pos">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_pos</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_pos" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_pos</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_pos" title="Link to this definition"></a></dt>
 <dd><p>position of label for numerical stratification</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_receptor">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_receptor</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_receptor" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_receptor</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_receptor" title="Link to this definition"></a></dt>
 <dd><p>sample uniformly across receptors (first molecule)</p>
 </dd></dl>
 
 <dl class="py property">
 <dt class="sig sig-object py" id="molgrid.ExampleProviderSettings.stratify_step">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stratify_step</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_step" title="Permalink to this definition"></a></dt>
+<span class="property"><span class="k"><span class="pre">property</span></span><span class="w"> </span></span><span class="sig-name descname"><span class="pre">stratify_step</span></span><a class="headerlink" href="#molgrid.ExampleProviderSettings.stratify_step" title="Link to this definition"></a></dt>
 <dd><p>step size for value stratification, together with min and max determines number of bins</p>
 </dd></dl>
 
@@ -1171,11 +1177,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleProv
 
 </section>
 <section id="the-examplevec-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec</span></code> class<a class="headerlink" href="#the-examplevec-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec</span></code> class<a class="headerlink" href="#the-examplevec-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.ExampleVec">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleVec</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">ExampleVec</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*)</p>
@@ -1191,43 +1197,43 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleVec.append">
-<span class="sig-name descname"><span class="pre">append</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.append" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">append</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.append" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void append(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt; {lvalue},boost::python::api::object)</p>
+<dt>C++ signature :</dt><dd><p>void append(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt; {lvalue},boost::python::api::object)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleVec.extend">
-<span class="sig-name descname"><span class="pre">extend</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extend" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">extend</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extend" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void extend(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt; {lvalue},boost::python::api::object)</p>
+<dt>C++ signature :</dt><dd><p>void extend(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt; {lvalue},boost::python::api::object)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleVec.extract_label">
-<span class="sig-name descname"><span class="pre">extract_label</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extract_label" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">extract_label</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extract_label" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Extract a specific label from a vector of examples, as returned by ExampleProvider.next_batch.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param examples</dt>
+<dt class="field-odd">param examples<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector of examples</p>
 </dd>
-<dt class="field-even">param labelpos</dt>
+<dt class="field-even">param labelpos<span class="colon">:</span></dt>
 <dd class="field-even"><p>position of label</p>
 </dd>
-<dt class="field-odd">param out</dt>
+<dt class="field-odd">param out<span class="colon">:</span></dt>
 <dd class="field-odd"><p>1D grid (N)</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void extract_label(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,int,libmolgrid::Grid&lt;float, 1ul, false&gt;)</p>
+<dt>C++ signature :</dt><dd><p>void extract_label(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,int,libmolgrid::Grid&lt;float, 1ul, false&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -1237,19 +1243,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 <div><p>Extract a specific label from a vector of examples, as returned by ExampleProvider.next_batch.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param examples</dt>
+<dt class="field-odd">param examples<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector of examples</p>
 </dd>
-<dt class="field-even">param labelpos</dt>
+<dt class="field-even">param labelpos<span class="colon">:</span></dt>
 <dd class="field-even"><p>position of label</p>
 </dd>
-<dt class="field-odd">param out</dt>
+<dt class="field-odd">param out<span class="colon">:</span></dt>
 <dd class="field-odd"><p>1D grid (N)</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void extract_label(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,int,libmolgrid::Grid&lt;float, 1ul, true&gt;)</p>
+<dt>C++ signature :</dt><dd><p>void extract_label(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,int,libmolgrid::Grid&lt;float, 1ul, true&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -1257,22 +1263,22 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleVec.extract_labels">
-<span class="sig-name descname"><span class="pre">extract_labels</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extract_labels" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">extract_labels</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.extract_labels" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Extract labels from a vector of examples, as returned by ExampleProvider.next_batch.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param examples</dt>
+<dt class="field-odd">param examples<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector of examples</p>
 </dd>
-<dt class="field-even">param grid</dt>
+<dt class="field-even">param grid<span class="colon">:</span></dt>
 <dd class="field-even"><p>2D grid (NxL)</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void extract_labels(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 2ul, false&gt;)</p>
+<dt>C++ signature :</dt><dd><p>void extract_labels(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 2ul, false&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -1282,16 +1288,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 <div><p>Extract labels from a vector of examples, as returned by ExampleProvider.next_batch.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param examples</dt>
+<dt class="field-odd">param examples<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector of examples</p>
 </dd>
-<dt class="field-even">param grid</dt>
+<dt class="field-even">param grid<span class="colon">:</span></dt>
 <dd class="field-even"><p>2D grid (NxL)</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void extract_labels(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 2ul, true&gt;)</p>
+<dt>C++ signature :</dt><dd><p>void extract_labels(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 2ul, true&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -1299,17 +1305,17 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.ExampleVec.sum_types">
-<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2fCUDA)sum</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_types=True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.sum_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">sum_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(ExampleVec)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2fCUDA)sum</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)unique_types</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.ExampleVec.sum_types" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void sum_types(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 2ul, true&gt; [,bool=True])</p>
+<dt>C++ signature :</dt><dd><p>void sum_types(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 2ul, true&gt; [,bool=True])</p>
 </dd>
 </dl>
 </div></blockquote>
 <p>sum_types( (ExampleVec)arg1, (Grid2f)sum [, (bool)unique_types=True]) -&gt; None :</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void sum_types(std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 2ul, false&gt; [,bool=True])</p>
+<dt>C++ signature :</dt><dd><p>void sum_types(std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 2ul, false&gt; [,bool=True])</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -1319,11 +1325,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">ExampleVec<
 
 </section>
 <section id="the-fileatommapper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class<a class="headerlink" href="#the-fileatommapper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">FileAtomMapper</span></code> class<a class="headerlink" href="#the-fileatommapper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.FileAtomMapper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileAtomMapper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileAtomMapper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>Atom mappers <strong>************</strong>
 Map atom types based on provided file.</p>
@@ -1333,12 +1339,12 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 </div></blockquote>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;)</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;)</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileAtomMapper.get_new_type">
-<span class="sig-name descname"><span class="pre">get_new_type</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.get_new_type" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_new_type</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.get_new_type" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>int get_new_type(libmolgrid::FileAtomMapper {lvalue},unsigned int)</p>
 </dd>
@@ -1347,16 +1353,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileAtomMapper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::FileAtomMapper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::FileAtomMapper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileAtomMapper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileAtomMapper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::FileAtomMapper {lvalue})</p>
 </dd>
@@ -1367,45 +1373,45 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">FileAtomMap
 
 </section>
 <section id="the-filemappedelementtyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class<a class="headerlink" href="#the-filemappedelementtyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedElementTyper</span></code> class<a class="headerlink" href="#the-filemappedelementtyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.FileMappedElementTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileMappedElementTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)fname</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)maxe=84</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileMappedElementTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)fname</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)maxe</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">84</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; [,unsigned int=84])</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt; [,unsigned int=84])</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedElementTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::FileMappedElementTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::FileMappedElementTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedElementTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::FileMappedElementTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::FileMappedElementTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedElementTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::FileMappedElementTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::FileMappedElementTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedElementTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedElementTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::FileMappedElementTyper {lvalue})</p>
 </dd>
@@ -1416,45 +1422,45 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedE
 
 </section>
 <section id="the-filemappedgninatyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class<a class="headerlink" href="#the-filemappedgninatyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedGninaTyper</span></code> class<a class="headerlink" href="#the-filemappedgninatyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.FileMappedGninaTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileMappedGninaTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)fname</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)use_covalent_radius=False</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">FileMappedGninaTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(str)fname</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)use_covalent_radius</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; [,bool=False])</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt; [,bool=False])</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedGninaTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::FileMappedGninaTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::FileMappedGninaTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedGninaTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::FileMappedGninaTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::FileMappedGninaTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedGninaTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::FileMappedGninaTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::FileMappedGninaTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.FileMappedGninaTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(FileMappedGninaTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.FileMappedGninaTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::FileMappedGninaTyper {lvalue})</p>
 </dd>
@@ -1465,11 +1471,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">FileMappedG
 
 </section>
 <section id="the-gninaindextyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class<a class="headerlink" href="#the-gninaindextyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">GninaIndexTyper</span></code> class<a class="headerlink" href="#the-gninaindextyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.GninaIndexTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GninaIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GninaIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <p>Atom typers <strong>************</strong>
 Calculate gnina types</p>
 <p>These are variants of AutoDock4 types.</p>
@@ -1488,34 +1494,34 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaIndexTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::GninaIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::GninaIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaIndexTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::GninaIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::GninaIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaIndexTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::GninaIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::GninaIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaIndexTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaIndexTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::GninaIndexTyper {lvalue})</p>
 </dd>
@@ -1526,11 +1532,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GninaIndexT
 
 </section>
 <section id="the-gninavectortyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class<a class="headerlink" href="#the-gninavectortyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">GninaVectorTyper</span></code> class<a class="headerlink" href="#the-gninavectortyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.GninaVectorTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GninaVectorTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GninaVectorTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <p>Decompose gnina types into elements and properties.  Result is boolean.</p>
 <p>Hydrophobic, Aromatic, Donor, Acceptor</p>
 <p>These are variants of AutoDock4 types.</p>
@@ -1540,25 +1546,25 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaVectorTyper.get_atom_type_vector">
-<span class="sig-name descname"><span class="pre">get_atom_type_vector</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.get_atom_type_vector" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_vector</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.get_atom_type_vector" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;boost::python::list, float&gt; get_atom_type_vector(libmolgrid::GninaVectorTyper,OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;boost::python::list, float&gt; get_atom_type_vector(libmolgrid::GninaVectorTyper,OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaVectorTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::GninaVectorTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::GninaVectorTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GninaVectorTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GninaVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GninaVectorTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::GninaVectorTyper {lvalue})</p>
 </dd>
@@ -1569,11 +1575,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GninaVector
 
 </section>
 <section id="the-gridmaker-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class<a class="headerlink" href="#the-gridmaker-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</span></code> class<a class="headerlink" href="#the-gridmaker-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.GridMaker">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GridMaker</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution=0.5</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)dimension=23.5</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)binary=False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)radius_type_indexed=False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)radius_scale=1.0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)gaussian_radius_multiple=1.0</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">GridMaker</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.5</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)dimension</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">23.5</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)binary</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)radius_type_indexed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)radius_scale</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)gaussian_radius_multiple</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.0</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>GridMaker
 Populates a grid with atom density values that correspond to atoms in a
@@ -1591,7 +1597,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.backward">
-<span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg6</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.backward" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(CoordinateSet)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg6</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.backward" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Generate atom and type gradients from grid gradients. (CPU)
@@ -1599,19 +1605,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Vector types are required.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>only set if input has type vectors</p>
 </dd>
 </dl>
@@ -1629,16 +1635,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Index types are required</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1656,19 +1662,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Vector types are required.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>only set if input has type vectors</p>
 </dd>
 </dl>
@@ -1686,16 +1692,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Index types are required.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param diff</dt>
+<dt class="field-odd">param diff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>a 4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1712,24 +1718,24 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Must provide atom coordinates, types, and radii that defined the original grid in forward</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>indices (N integers stored as floats)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1746,24 +1752,24 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Must provide atom coordinates, types, and radii that defined the original grid in forward</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>indices (N integers stored as floats)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1780,27 +1786,27 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Must provide atom coordinates, types, and radii that defined the original grid in forward</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1817,27 +1823,27 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 Must provide atom coordinates, types, and radii that defined the original grid in forward</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -1851,7 +1857,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.backward_gradients">
-<span class="sig-name descname"><span class="pre">backward_gradients</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg7</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg9</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg11</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.backward_gradients" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">backward_gradients</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid1f)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg7</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg9</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)arg11</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.backward_gradients" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Generate gradients of atom/type gradients. (CPU)
@@ -1859,36 +1865,36 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 and grid gradients from backward.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param diffdiff</dt>
+<dt class="field-even">param diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>a 4D grid of gradients of gradients</p>
 </dd>
-<dt class="field-odd">param atom_diffdiff</dt>
+<dt class="field-odd">param atom_diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param type_diffdiff</dt>
+<dt class="field-even">param type_diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom*</p>
 </dd>
 </dl>
@@ -1906,36 +1912,36 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 and grid gradients from backward.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-even">param atomic_gradients</dt>
+<dt class="field-even">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_gradients</dt>
+<dt class="field-odd">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param diffdiff</dt>
+<dt class="field-even">param diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>a 4D grid of gradients of gradients</p>
 </dd>
-<dt class="field-odd">param atom_diffdiff</dt>
+<dt class="field-odd">param atom_diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param type_diffdiff</dt>
+<dt class="field-even">param type_diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom*</p>
 </dd>
 </dl>
@@ -1953,25 +1959,25 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 and grid gradients from backward.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>coordinate set</p>
 </dd>
-<dt class="field-even">param a</dt>
+<dt class="field-even">param a<span class="colon">:</span></dt>
 <dd class="field-even"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-odd">param atomic_gradients</dt>
+<dt class="field-odd">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param type_gradients</dt>
+<dt class="field-even">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param diffdiff</dt>
+<dt class="field-odd">param diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>a 4D grid of gradients of gradients</p>
 </dd>
-<dt class="field-even">param atom_diffdiff</dt>
+<dt class="field-even">param atom_diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_diffdiff</dt>
+<dt class="field-odd">param type_diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom*</p>
 </dd>
 </dl>
@@ -1989,25 +1995,25 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 and grid gradients from backward.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>coordinate set</p>
 </dd>
-<dt class="field-even">param a</dt>
+<dt class="field-even">param a<span class="colon">:</span></dt>
 <dd class="field-even"><p>4D grid of gradients</p>
 </dd>
-<dt class="field-odd">param atomic_gradients</dt>
+<dt class="field-odd">param atomic_gradients<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-even">param type_gradients</dt>
+<dt class="field-even">param type_gradients<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param diffdiff</dt>
+<dt class="field-odd">param diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>a 4D grid of gradients of gradients</p>
 </dd>
-<dt class="field-even">param atom_diffdiff</dt>
+<dt class="field-even">param atom_diffdiff<span class="colon">:</span></dt>
 <dd class="field-even"><p>vector quantities for each atom</p>
 </dd>
-<dt class="field-odd">param type_diffdiff</dt>
+<dt class="field-odd">param type_diffdiff<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vector quantities for each atom</p>
 </dd>
 </dl>
@@ -2021,7 +2027,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.forward">
-<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Example)example</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)grid</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)random_translation=0.0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)random_rotation=False</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.forward" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Example)example</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)grid</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)random_translation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)random_rotation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.forward" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Generate CPU grid tensor from an example.
@@ -2031,16 +2037,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>example</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>a 4D grid</p>
 </dd>
-<dt class="field-odd">param random_translation</dt>
+<dt class="field-odd">param random_translation<span class="colon">:</span></dt>
 <dd class="field-odd"><p>maximum amount to randomly translate each coordinate (+/-)</p>
 </dd>
-<dt class="field-even">param random_rotation</dt>
+<dt class="field-even">param random_rotation<span class="colon">:</span></dt>
 <dd class="field-even"><p>whether or not to randomly rotate</p>
 </dd>
 </dl>
@@ -2059,16 +2065,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>example</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>a 4D grid</p>
 </dd>
-<dt class="field-odd">param random_translation</dt>
+<dt class="field-odd">param random_translation<span class="colon">:</span></dt>
 <dd class="field-odd"><p>maximum amount to randomly translate each coordinate (+/-)</p>
 </dd>
-<dt class="field-even">param random_rotation</dt>
+<dt class="field-even">param random_rotation<span class="colon">:</span></dt>
 <dd class="field-even"><p>whether or not to randomly rotate</p>
 </dd>
 </dl>
@@ -2087,21 +2093,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param example</dt>
+<dt class="field-odd">param example<span class="colon">:</span></dt>
 <dd class="field-odd"><p></p></dd>
-<dt class="field-even">param a</dt>
+<dt class="field-even">param a<span class="colon">:</span></dt>
 <dd class="field-even"><p>4D grid</p>
 </dd>
-<dt class="field-odd">param maximum</dt>
+<dt class="field-odd">param maximum<span class="colon">:</span></dt>
 <dd class="field-odd"><p>amount to randomly translate each coordinate (+/-)</p>
 </dd>
-<dt class="field-even">param whether</dt>
+<dt class="field-even">param whether<span class="colon">:</span></dt>
 <dd class="field-even"><p>or not to randomly rotate</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void forward(libmolgrid::GridMaker {lvalue},std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 5ul, false&gt; [,float=0.0 [,bool=False]])</p>
+<dt>C++ signature :</dt><dd><p>void forward(libmolgrid::GridMaker {lvalue},std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 5ul, false&gt; [,float=0.0 [,bool=False]])</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -2115,21 +2121,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param example</dt>
+<dt class="field-odd">param example<span class="colon">:</span></dt>
 <dd class="field-odd"><p></p></dd>
-<dt class="field-even">param a</dt>
+<dt class="field-even">param a<span class="colon">:</span></dt>
 <dd class="field-even"><p>4D grid</p>
 </dd>
-<dt class="field-odd">param maximum</dt>
+<dt class="field-odd">param maximum<span class="colon">:</span></dt>
 <dd class="field-odd"><p>amount to randomly translate each coordinate (+/-)</p>
 </dd>
-<dt class="field-even">param whether</dt>
+<dt class="field-even">param whether<span class="colon">:</span></dt>
 <dd class="field-even"><p>or not to randomly rotate</p>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void forward(libmolgrid::GridMaker {lvalue},std::vector&lt;libmolgrid::Example, std::allocator&lt;libmolgrid::Example&gt; &gt;,libmolgrid::Grid&lt;float, 5ul, true&gt; [,float=0.0 [,bool=False]])</p>
+<dt>C++ signature :</dt><dd><p>void forward(libmolgrid::GridMaker {lvalue},std::__1::vector&lt;libmolgrid::Example, std::__1::allocator&lt;libmolgrid::Example&gt;&gt;,libmolgrid::Grid&lt;float, 5ul, true&gt; [,float=0.0 [,bool=False]])</p>
 </dd>
 </dl>
 </div></blockquote>
@@ -2139,13 +2145,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from atomic data.  Grid (CPU) must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2161,13 +2167,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from atomic data.  Grid (GPU) must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinate</dt>
+<dt class="field-even">param coordinate<span class="colon">:</span></dt>
 <dd class="field-even"><p>set</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2184,12 +2190,12 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 The center specified in the transform will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param example</dt>
+<dt class="field-odd">param example<span class="colon">:</span></dt>
 <dd class="field-odd"><p></p></dd>
-<dt class="field-even">param transformation</dt>
+<dt class="field-even">param transformation<span class="colon">:</span></dt>
 <dd class="field-even"><p>to apply</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2206,12 +2212,12 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 The center specified in the transform will be used as the grid center.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param example</dt>
+<dt class="field-odd">param example<span class="colon">:</span></dt>
 <dd class="field-odd"><p></p></dd>
-<dt class="field-even">param transformation</dt>
+<dt class="field-even">param transformation<span class="colon">:</span></dt>
 <dd class="field-even"><p>to apply</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2227,21 +2233,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from CPU atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param indices</dt>
+<dt class="field-odd">param indices<span class="colon">:</span></dt>
 <dd class="field-odd"><p>(N integers stored as floats)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2257,21 +2263,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from GPU atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param indices</dt>
+<dt class="field-odd">param indices<span class="colon">:</span></dt>
 <dd class="field-odd"><p>(N integers stored as floats)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2287,21 +2293,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from CPU atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param vectors</dt>
+<dt class="field-odd">param vectors<span class="colon">:</span></dt>
 <dd class="field-odd"><p>(NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li><p>or (T)</p></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2317,21 +2323,21 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensor from GPU atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param center</dt>
+<dt class="field-odd">param center<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(Nx3)</p>
 </dd>
-<dt class="field-odd">param vector</dt>
+<dt class="field-odd">param vector<span class="colon">:</span></dt>
 <dd class="field-odd"><p>indices (NxT)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><ol class="upperalpha simple" start="14">
 <li><p>or (T) depending on if radii_type_indexed is set</p></li>
 </ol>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>4D grid</p>
 </dd>
 </dl>
@@ -2347,19 +2353,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensors from batched atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param centers</dt>
+<dt class="field-odd">param centers<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid (Bx3)</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxNx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (BxNxT) or type indices (BxN)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxN) or (BxT)</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>5D grid</p>
 </dd>
 </dl>
@@ -2375,19 +2381,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensors from batched atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param centers</dt>
+<dt class="field-odd">param centers<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid (Bx3)</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxNx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (BxNxT) or type indices (BxN)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxN) or (BxT)</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>5D grid</p>
 </dd>
 </dl>
@@ -2403,19 +2409,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensors from batched atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param centers</dt>
+<dt class="field-odd">param centers<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid (Bx3)</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxNx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (BxNxT) or type indices (BxN)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxN) or (BxT)</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>5D grid</p>
 </dd>
 </dl>
@@ -2431,19 +2437,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 <div><p>Generate grid tensors from batched atomic data.  Grid must be properly sized.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param centers</dt>
+<dt class="field-odd">param centers<span class="colon">:</span></dt>
 <dd class="field-odd"><p>of grid (Bx3)</p>
 </dd>
-<dt class="field-even">param coordinates</dt>
+<dt class="field-even">param coordinates<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxNx3)</p>
 </dd>
-<dt class="field-odd">param type</dt>
+<dt class="field-odd">param type<span class="colon">:</span></dt>
 <dd class="field-odd"><p>vectors (BxNxT) or type indices (BxN)</p>
 </dd>
-<dt class="field-even">param radii</dt>
+<dt class="field-even">param radii<span class="colon">:</span></dt>
 <dd class="field-even"><p>(BxN) or (BxT)</p>
 </dd>
-<dt class="field-odd">param a</dt>
+<dt class="field-odd">param a<span class="colon">:</span></dt>
 <dd class="field-odd"><p>5D grid</p>
 </dd>
 </dl>
@@ -2457,7 +2463,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.get_binary">
-<span class="sig-name descname"><span class="pre">get_binary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_binary" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_binary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_binary" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool get_binary(libmolgrid::GridMaker {lvalue})</p>
 </dd>
@@ -2466,7 +2472,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.get_dimension">
-<span class="sig-name descname"><span class="pre">get_dimension</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_dimension" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_dimension</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_dimension" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float get_dimension(libmolgrid::GridMaker {lvalue})</p>
 </dd>
@@ -2475,7 +2481,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.get_radii_type_indexed">
-<span class="sig-name descname"><span class="pre">get_radii_type_indexed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_radii_type_indexed" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_radii_type_indexed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_radii_type_indexed" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool get_radii_type_indexed(libmolgrid::GridMaker {lvalue})</p>
 </dd>
@@ -2484,7 +2490,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.get_resolution">
-<span class="sig-name descname"><span class="pre">get_resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_resolution" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.get_resolution" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float get_resolution(libmolgrid::GridMaker {lvalue})</p>
 </dd>
@@ -2493,7 +2499,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.grid_dimensions">
-<span class="sig-name descname"><span class="pre">grid_dimensions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.grid_dimensions" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">grid_dimensions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.grid_dimensions" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>boost::python::tuple grid_dimensions(libmolgrid::GridMaker {lvalue},int)</p>
 </dd>
@@ -2502,19 +2508,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.make_ndarray">
-<span class="sig-name descname"><span class="pre">make_ndarray</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.make_ndarray" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">make_ndarray</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.make_ndarray" title="Link to this definition"></a></dt>
 <dd><p>Create appropriately sized numpy array of grid densities.</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.make_tensor">
-<span class="sig-name descname"><span class="pre">make_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.make_tensor" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">make_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.make_tensor" title="Link to this definition"></a></dt>
 <dd><p>Create appropriately sized pytorch tensor of grid densities.  set_gpu_enabled can be used to control if result is located on the cpu or gpu</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.set_binary">
-<span class="sig-name descname"><span class="pre">set_binary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_binary" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_binary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_binary" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_binary(libmolgrid::GridMaker {lvalue},bool)</p>
 </dd>
@@ -2523,7 +2529,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.set_dimension">
-<span class="sig-name descname"><span class="pre">set_dimension</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_dimension" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_dimension</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_dimension" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_dimension(libmolgrid::GridMaker {lvalue},float)</p>
 </dd>
@@ -2532,7 +2538,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.set_radii_type_indexed">
-<span class="sig-name descname"><span class="pre">set_radii_type_indexed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_radii_type_indexed" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_radii_type_indexed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_radii_type_indexed" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_radii_type_indexed(libmolgrid::GridMaker {lvalue},bool)</p>
 </dd>
@@ -2541,7 +2547,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.set_resolution">
-<span class="sig-name descname"><span class="pre">set_resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_resolution" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_resolution</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.set_resolution" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_resolution(libmolgrid::GridMaker {lvalue},float)</p>
 </dd>
@@ -2550,7 +2556,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.spatial_grid_dimensions">
-<span class="sig-name descname"><span class="pre">spatial_grid_dimensions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.spatial_grid_dimensions" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">spatial_grid_dimensions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(GridMaker)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.GridMaker.spatial_grid_dimensions" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>boost::python::tuple spatial_grid_dimensions(libmolgrid::GridMaker {lvalue})</p>
 </dd>
@@ -2559,7 +2565,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.GridMaker.tonumpy">
-<span class="sig-name descname"><span class="pre">tonumpy</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.tonumpy" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">tonumpy</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.GridMaker.tonumpy" title="Link to this definition"></a></dt>
 <dd><p>Return a numpy array copy of grid g</p>
 </dd></dl>
 
@@ -2567,11 +2573,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">GridMaker</
 
 </section>
 <section id="the-nullindextyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class<a class="headerlink" href="#the-nullindextyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">NullIndexTyper</span></code> class<a class="headerlink" href="#the-nullindextyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.NullIndexTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">NullIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">NullIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <p>Always return an invalid type</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*)</p>
@@ -2579,34 +2585,34 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">NullIndexTy
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.NullIndexTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::NullIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::NullIndexTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.NullIndexTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::NullIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::NullIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.NullIndexTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::NullIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::NullIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.NullIndexTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(NullIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.NullIndexTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::NullIndexTyper {lvalue})</p>
 </dd>
@@ -2617,36 +2623,36 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">NullIndexTy
 
 </section>
 <section id="the-pythoncallbackindextyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallbackIndexTyper</span></code> class<a class="headerlink" href="#the-pythoncallbackindextyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallbackIndexTyper</span></code> class<a class="headerlink" href="#the-pythoncallbackindextyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackIndexTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">PythonCallbackIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)func</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)num_types</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)names=[]</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">PythonCallbackIndexTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)func</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)num_types</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)names</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">[]</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*,boost::python::api::object,unsigned int [,boost::python::list=[]])</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackIndexTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(PythonCallbackIndexTyper {lvalue},boost::python::api::object)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(PythonCallbackIndexTyper {lvalue},boost::python::api::object)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackIndexTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(PythonCallbackIndexTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(PythonCallbackIndexTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackIndexTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackIndexTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackIndexTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(PythonCallbackIndexTyper {lvalue})</p>
 </dd>
@@ -2657,18 +2663,18 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallb
 
 </section>
 <section id="the-pythoncallbackvectortyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallbackVectorTyper</span></code> class<a class="headerlink" href="#the-pythoncallbackvectortyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallbackVectorTyper</span></code> class<a class="headerlink" href="#the-pythoncallbackvectortyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackVectorTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">PythonCallbackVectorTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)func</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)num_types</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)names=[]</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">PythonCallbackVectorTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)func</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)num_types</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(list)names</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">[]</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*,boost::python::api::object,unsigned int [,boost::python::list=[]])</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackVectorTyper.get_atom_type_vector">
-<span class="sig-name descname"><span class="pre">get_atom_type_vector</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.get_atom_type_vector" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_vector</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">tuple</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.get_atom_type_vector" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>boost::python::tuple get_atom_type_vector(PythonCallbackVectorTyper {lvalue},boost::python::api::object)</p>
 </dd>
@@ -2677,16 +2683,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallb
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackVectorTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(PythonCallbackVectorTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(PythonCallbackVectorTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.PythonCallbackVectorTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(PythonCallbackVectorTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.PythonCallbackVectorTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(PythonCallbackVectorTyper {lvalue})</p>
 </dd>
@@ -2697,16 +2703,12 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">PythonCallb
 
 </section>
 <section id="the-quaternion-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class<a class="headerlink" href="#the-quaternion-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion</span></code> class<a class="headerlink" href="#the-quaternion-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.Quaternion">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
-<blockquote>
-<div><p>A CUDA friendly quaternion class.  Single precision only
-for maximum CUDA performance.</p>
-</div></blockquote>
-<p>/</p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
+<p>Quaternion class for rotations. Single precision only.</p>
 <blockquote>
 <div><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void __init__(_object*)</p>
@@ -2722,7 +2724,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.R_component_1">
-<span class="sig-name descname"><span class="pre">R_component_1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_1" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">R_component_1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_1" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float R_component_1(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2731,7 +2733,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.R_component_2">
-<span class="sig-name descname"><span class="pre">R_component_2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_2" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">R_component_2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_2" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float R_component_2(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2740,7 +2742,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.R_component_3">
-<span class="sig-name descname"><span class="pre">R_component_3</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_3" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">R_component_3</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_3" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float R_component_3(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2749,7 +2751,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.R_component_4">
-<span class="sig-name descname"><span class="pre">R_component_4</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_4" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">R_component_4</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.R_component_4" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float R_component_4(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2758,7 +2760,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.conj">
-<span class="sig-name descname"><span class="pre">conj</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.conj" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">conj</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.conj" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::Quaternion conj(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2767,7 +2769,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.inverse">
-<span class="sig-name descname"><span class="pre">inverse</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.inverse" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">inverse</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.inverse" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::Quaternion inverse(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2776,7 +2778,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.norm">
-<span class="sig-name descname"><span class="pre">norm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.norm" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">norm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.norm" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float norm(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2785,7 +2787,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.real">
-<span class="sig-name descname"><span class="pre">real</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.real" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">real</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.real" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float real(libmolgrid::Quaternion {lvalue})</p>
 </dd>
@@ -2794,7 +2796,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.rotate">
-<span class="sig-name descname"><span class="pre">rotate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)x</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)y</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)z</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.rotate" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">rotate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)x</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)y</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)z</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.rotate" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float3 rotate(libmolgrid::Quaternion {lvalue},float,float,float)</p>
 </dd>
@@ -2803,7 +2805,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Quaternion.transform">
-<span class="sig-name descname"><span class="pre">transform</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg6</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.transform" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">transform</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)arg4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg6</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Quaternion.transform" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float3 transform(libmolgrid::Quaternion {lvalue},float,float,float,float3,float3)</p>
 </dd>
@@ -2814,52 +2816,52 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Quaternion<
 
 </section>
 <section id="the-subsetatommapper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class<a class="headerlink" href="#the-subsetatommapper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomMapper</span></code> class<a class="headerlink" href="#the-subsetatommapper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.SubsetAtomMapper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">SubsetAtomMapper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">SubsetAtomMapper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(bool)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>Map atom types onto a provided subset.</p>
 </div></blockquote>
 <p>/</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::vector&lt;int, std::allocator&lt;int&gt; &gt;,bool)</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt;,bool)</p>
 </dd>
 </dl>
 </div></blockquote>
 <p>__init__( (object)arg1, (object)arg2, (bool)arg3) -&gt; None :</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::vector&lt;std::vector&lt;int, std::allocator&lt;int&gt; &gt;, std::allocator&lt;std::vector&lt;int, std::allocator&lt;int&gt; &gt; &gt; &gt;,bool)</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::vector&lt;std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt;, std::__1::allocator&lt;std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt;&gt;&gt;,bool)</p>
 </dd>
 </dl>
 </div></blockquote>
 <p>__init__( (object)arg1, (object)arg2, (bool)arg3, (StringVec)arg4) -&gt; None :</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::vector&lt;int, std::allocator&lt;int&gt; &gt; {lvalue},bool,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;)</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt; {lvalue},bool,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
 <p>__init__( (object)arg1, (object)arg2, (bool)arg3, (StringVec)arg4) -&gt; None :</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::vector&lt;std::vector&lt;int, std::allocator&lt;int&gt; &gt;, std::allocator&lt;std::vector&lt;int, std::allocator&lt;int&gt; &gt; &gt; &gt; {lvalue},bool,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;)</p>
+<dt>C++ signature :</dt><dd><p>void __init__(_object*,std::__1::vector&lt;std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt;, std::__1::allocator&lt;std::__1::vector&lt;int, std::__1::allocator&lt;int&gt;&gt;&gt;&gt; {lvalue},bool,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;)</p>
 </dd>
 </dl>
 </div></blockquote>
-<p>__init__( (object)arg1, (list)map [, (bool)catchall=True [, (StringVec)old_names=&lt;molgrid.molgrid.StringVec object at 0x7ff808209200&gt;]]) -&gt; object :</p>
+<p>__init__( (object)arg1, (list)map [, (bool)catchall=True [, (StringVec)old_names=&lt;molgrid.molgrid.StringVec object at 0x10c977440&gt;]]) -&gt; object :</p>
 <blockquote>
 <div><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void* __init__(boost::python::api::object,boost::python::list [,bool=True [,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;=&lt;molgrid.molgrid.StringVec object at 0x7ff808209200&gt;]])</p>
+<dt>C++ signature :</dt><dd><p>void* __init__(boost::python::api::object,boost::python::list [,bool=True [,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;=&lt;molgrid.molgrid.StringVec object at 0x10c977440&gt;]])</p>
 </dd>
 </dl>
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsetAtomMapper.get_new_type">
-<span class="sig-name descname"><span class="pre">get_new_type</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.get_new_type" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_new_type</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(int)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.get_new_type" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>int get_new_type(libmolgrid::SubsetAtomMapper {lvalue},unsigned int)</p>
 </dd>
@@ -2868,16 +2870,16 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomM
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsetAtomMapper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::SubsetAtomMapper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::SubsetAtomMapper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsetAtomMapper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsetAtomMapper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsetAtomMapper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::SubsetAtomMapper {lvalue})</p>
 </dd>
@@ -2888,45 +2890,45 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">SubsetAtomM
 
 </section>
 <section id="the-subsettedelementtyper-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class<a class="headerlink" href="#the-subsettedelementtyper-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">SubsettedElementTyper</span></code> class<a class="headerlink" href="#the-subsettedelementtyper-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.SubsettedElementTyper">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">SubsettedElementTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(list)map</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)catchall=True</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)maxe=84</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">molgrid.molgrid.AtomTyper</span></code></a></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">SubsettedElementTyper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(list)map</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)catchall</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(int)maxe</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">84</span></span></em><span class="optional">]</span><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper" title="Link to this definition"></a></dt>
+<dd><p>Bases: <a class="reference internal" href="#molgrid.AtomTyper" title="molgrid.molgrid.AtomTyper"><code class="xref py py-class docutils literal notranslate"><span class="pre">AtomTyper</span></code></a></p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void* __init__(boost::python::api::object,boost::python::list [,bool=True [,unsigned int=84]])</p>
 </dd>
 </dl>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsettedElementTyper.get_atom_type_index">
-<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_atom_type_index" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_atom_type_index</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(object)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">object</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_atom_type_index" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::SubsettedElementTyper {lvalue},OpenBabel::OBAtom*)</p>
+<dt>C++ signature :</dt><dd><p>std::__1::pair&lt;int, float&gt; get_atom_type_index(libmolgrid::SubsettedElementTyper {lvalue},OpenBabel::OBAtom*)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsettedElementTyper.get_type_names">
-<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_type_names" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_names</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">StringVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_type_names" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt; get_type_names(libmolgrid::SubsettedElementTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt; get_type_names(libmolgrid::SubsettedElementTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsettedElementTyper.get_type_radii">
-<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_type_radii" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_type_radii</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">FloatVec</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.get_type_radii" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>std::vector&lt;float, std::allocator&lt;float&gt; &gt; get_type_radii(libmolgrid::SubsettedElementTyper {lvalue})</p>
+<dt>C++ signature :</dt><dd><p>std::__1::vector&lt;float, std::__1::allocator&lt;float&gt;&gt; get_type_radii(libmolgrid::SubsettedElementTyper {lvalue})</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.SubsettedElementTyper.num_types">
-<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.num_types" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">num_types</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(SubsettedElementTyper)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.SubsettedElementTyper.num_types" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>unsigned int num_types(libmolgrid::SubsettedElementTyper {lvalue})</p>
 </dd>
@@ -2937,11 +2939,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">SubsettedEl
 
 </section>
 <section id="the-transform-class">
-<h3>The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class<a class="headerlink" href="#the-transform-class" title="Permalink to this headline"></a></h3>
+<h3>The <code class="docutils literal notranslate"><span class="pre">Transform</span></code> class<a class="headerlink" href="#the-transform-class" title="Link to this heading"></a></h3>
 <dl class="py class">
 <dt class="sig sig-object py" id="molgrid.Transform">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Transform</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform" title="Permalink to this definition"></a></dt>
-<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Boost.Python.instance</span></code></p>
+<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">Transform</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(object)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform" title="Link to this definition"></a></dt>
+<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">instance</span></code></p>
 <blockquote>
 <div><p>Stateful transformation of Cartesian coordinates.</p>
 <blockquote>
@@ -2987,19 +2989,19 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 </div></blockquote>
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.backward">
-<span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)in</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)out</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)dotranslate=True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.backward" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">backward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)in</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)out</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)dotranslate</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.backward" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Apply inverse of 3D transformation on CPU.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>Nx3 input grid</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>Nx3 output grid (will be overwritten)</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only the inverse rotation is applied</p>
 </dd>
 </dl>
@@ -3015,13 +3017,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 <div><p>Apply inverse of 3D transformation on GPU.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>Nx3 input grid</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>Nx3 output grid (will be overwritten)</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only the inverse rotation is applied</p>
 </dd>
 </dl>
@@ -3035,20 +3037,20 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.forward">
-<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)in</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)out</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)dotranslate=True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.forward" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)in</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid2f)out</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(bool)dotranslate</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.forward" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><blockquote>
 <div><p>Apply 3D transformation on CPU.   It is safe to transform
 a grid in-place.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>Nx3 input grid</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>Nx3 output grid (will be overwritten)</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only a rotation around the origin is applied.
 (This is for vector quantities such as gradients and normals).</p>
 </dd>
@@ -3066,13 +3068,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 in-place.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param in</dt>
+<dt class="field-odd">param in<span class="colon">:</span></dt>
 <dd class="field-odd"><p>Nx3 input grid</p>
 </dd>
-<dt class="field-even">param out</dt>
+<dt class="field-even">param out<span class="colon">:</span></dt>
 <dd class="field-even"><p>Nx3 output grid (will be overwritten)</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only a rotation around the origin is applied.
 (This is for vector quantities such as gradients and normals).</p>
 </dd>
@@ -3089,13 +3091,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 <div><p>Apply 3D transformation to CoordinateSet.   It is safe to transform in-place</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param input</dt>
+<dt class="field-odd">param input<span class="colon">:</span></dt>
 <dd class="field-odd"><p>coords</p>
 </dd>
-<dt class="field-even">param output</dt>
+<dt class="field-even">param output<span class="colon">:</span></dt>
 <dd class="field-even"><p>coords with same dimensions</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only a rotation around the origin is applied.
 (This is for vector quantities such as gradients and normals).</p>
 </dd>
@@ -3112,13 +3114,13 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 <div><p>Apply 3D transformation to Example.   It is safe to transform in-place</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">param input</dt>
+<dt class="field-odd">param input<span class="colon">:</span></dt>
 <dd class="field-odd"><p>example</p>
 </dd>
-<dt class="field-even">param output</dt>
+<dt class="field-even">param output<span class="colon">:</span></dt>
 <dd class="field-even"><p>example with same dimensions</p>
 </dd>
-<dt class="field-odd">param dotranslate</dt>
+<dt class="field-odd">param dotranslate<span class="colon">:</span></dt>
 <dd class="field-odd"><p>if false only a rotation around the origin is applied.
 (This is for vector quantities such as gradients and normals).</p>
 </dd>
@@ -3133,7 +3135,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.get_quaternion">
-<span class="sig-name descname"><span class="pre">get_quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_quaternion" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Quaternion</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_quaternion" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>libmolgrid::Quaternion get_quaternion(libmolgrid::Transform {lvalue})</p>
 </dd>
@@ -3142,7 +3144,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.get_rotation_center">
-<span class="sig-name descname"><span class="pre">get_rotation_center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_rotation_center" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_rotation_center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_rotation_center" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float3 get_rotation_center(libmolgrid::Transform {lvalue})</p>
 </dd>
@@ -3151,7 +3153,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.get_translation">
-<span class="sig-name descname"><span class="pre">get_translation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_translation" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_translation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">float3</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.get_translation" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>float3 get_translation(libmolgrid::Transform {lvalue})</p>
 </dd>
@@ -3160,7 +3162,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.set_quaternion">
-<span class="sig-name descname"><span class="pre">set_quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_quaternion" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_quaternion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Quaternion)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_quaternion" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_quaternion(libmolgrid::Transform {lvalue},libmolgrid::Quaternion)</p>
 </dd>
@@ -3169,7 +3171,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.set_rotation_center">
-<span class="sig-name descname"><span class="pre">set_rotation_center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_rotation_center" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_rotation_center</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_rotation_center" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_rotation_center(libmolgrid::Transform {lvalue},float3)</p>
 </dd>
@@ -3178,7 +3180,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py method">
 <dt class="sig sig-object py" id="molgrid.Transform.set_translation">
-<span class="sig-name descname"><span class="pre">set_translation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_translation" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">set_translation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(Transform)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)arg2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.Transform.set_translation" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_translation(libmolgrid::Transform {lvalue},float3)</p>
 </dd>
@@ -3190,11 +3192,11 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 </section>
 </section>
 <section id="module-molgrid">
-<span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-molgrid" title="Permalink to this headline"></a></h2>
+<span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-molgrid" title="Link to this heading"></a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.get_gpu_device">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">get_gpu_device</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.get_gpu_device" title="Permalink to this definition"></a></dt>
-<dd><p>Get current GPU device.</p>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">get_gpu_device</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.get_gpu_device" title="Link to this definition"></a></dt>
+<dd><p>Get current GPU device (always 0 on Metal builds).</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>int get_gpu_device()</p>
 </dd>
@@ -3203,7 +3205,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.get_gpu_enabled">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">get_gpu_enabled</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.get_gpu_enabled" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">get_gpu_enabled</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.get_gpu_enabled" title="Link to this definition"></a></dt>
 <dd><p>Get if generated grids are on GPU by default.</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>bool get_gpu_enabled()</p>
@@ -3213,24 +3215,24 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.read_dx">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">read_dx</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CartesianGrid</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.read_dx" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">read_dx</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">CartesianGrid</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.read_dx" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><p>Read in dx formatted grid and return initialized grid</p>
 </div></blockquote>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt; &gt; read_dx(std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;)</p>
+<dt>C++ signature :</dt><dd><p>libmolgrid::CartesianGrid&lt;libmolgrid::ManagedGrid&lt;float, 3ul&gt;&gt; read_dx(std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.read_dx_grids">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">read_dx_grids</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.read_dx_grids" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">read_dx_grids</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)arg1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)arg2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)arg3</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.read_dx_grids" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><p>Read multiple grids using type names as a suffix.  Grids must be correctly sized</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>prefix</strong> – filename will have form [prefix]_[typename].dx</p></li>
 <li><p><strong>names</strong> – must have same size as first dimension of grid</p></li>
@@ -3240,15 +3242,15 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void read_dx_grids(std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;,libmolgrid::Grid&lt;float, 4ul, false&gt;)</p>
+<dt>C++ signature :</dt><dd><p>void read_dx_grids(std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;,libmolgrid::Grid&lt;float, 4ul, false&gt;)</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.set_gpu_device">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_gpu_device</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(int)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_gpu_device" title="Permalink to this definition"></a></dt>
-<dd><p>Set current GPU device.</p>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_gpu_device</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(int)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_gpu_device" title="Link to this definition"></a></dt>
+<dd><p>Set current GPU device (no-op on Metal builds).</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_gpu_device(int)</p>
 </dd>
@@ -3257,7 +3259,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.set_gpu_enabled">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_gpu_enabled</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(bool)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_gpu_enabled" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_gpu_enabled</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(bool)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_gpu_enabled" title="Link to this definition"></a></dt>
 <dd><p>Set if generated grids should be on GPU by default.</p>
 <dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_gpu_enabled(bool)</p>
@@ -3267,7 +3269,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.set_random_seed">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_random_seed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(int)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_random_seed" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">set_random_seed</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(int)arg1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.set_random_seed" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
 <dt>C++ signature :</dt><dd><p>void set_random_seed(long)</p>
 </dd>
@@ -3276,54 +3278,54 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.tonumpy">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">tonumpy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">g</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.tonumpy" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">tonumpy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">g</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#molgrid.tonumpy" title="Link to this definition"></a></dt>
 <dd><p>Return a numpy array copy of grid g</p>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.write_dx">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_dx</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid3f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale=1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_dx" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_dx</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid3f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_dx" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><p>output grid as dx formatted file
 Values are multiplied by scale, which may be necessary to adjust for limited precision in the text-based format</p>
 </div></blockquote>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void write_dx(std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;,libmolgrid::Grid&lt;float, 3ul, false&gt;,float3,float [,float=1.0])</p>
+<dt>C++ signature :</dt><dd><p>void write_dx(std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;,libmolgrid::Grid&lt;float, 3ul, false&gt;,float3,float [,float=1.0])</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.write_dx_grids">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_dx_grids</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)prefix</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)type_names</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale=1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_dx_grids" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_dx_grids</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)prefix</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(StringVec)type_names</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid4f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_dx_grids" title="Link to this definition"></a></dt>
 <dd><blockquote>
 <div><p>Output multiple grids using type names as a suffix.</p>
 </div></blockquote>
 <dl class="field-list simple">
-<dt class="field-odd">Parameters</dt>
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
 <li><p><strong>prefix</strong> – filename will have form [prefix]_[typename].dx</p></li>
 <li><p><strong>names</strong> – must have same size as first dimension of grid</p></li>
 <li><p><strong>grid</strong> – input grids</p></li>
-<li><p><strong>center</strong> – </p></li>
-<li><p><strong>resolution</strong> – </p></li>
+<li><p><strong>center</strong></p></li>
+<li><p><strong>resolution</strong></p></li>
 <li><p><strong>scale</strong> – multiply each value by this factor</p></li>
 </ul>
 </dd>
 </dl>
 <p>/</p>
 <dl class="simple">
-<dt>C++ signature :</dt><dd><p>void write_dx_grids(std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;,std::vector&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;, std::allocator&lt;std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt; &gt; &gt;,libmolgrid::Grid&lt;float, 4ul, false&gt;,float3,float [,float=1.0])</p>
+<dt>C++ signature :</dt><dd><p>void write_dx_grids(std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;,std::__1::vector&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;, std::__1::allocator&lt;std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;&gt;&gt;,libmolgrid::Grid&lt;float, 4ul, false&gt;,float3,float [,float=1.0])</p>
 </dd>
 </dl>
 </dd></dl>
 
 <dl class="py function">
 <dt class="sig sig-object py" id="molgrid.write_map">
-<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_map</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid3f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale=1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_map" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">molgrid.</span></span><span class="sig-name descname"><span class="pre">write_map</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">(str)file_name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(Grid3f)grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float3)center</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">(float)resolution</span></span></em><span class="optional">[</span>, <em class="sig-param"><span class="n"><span class="pre">(float)scale</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.0</span></span></em><span class="optional">]</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span> <span class="pre">:</span></span></span><a class="headerlink" href="#molgrid.write_map" title="Link to this definition"></a></dt>
 <dd><dl class="simple">
-<dt>C++ signature :</dt><dd><p>void write_map(std::__cxx11::basic_string&lt;char, std::char_traits&lt;char&gt;, std::allocator&lt;char&gt; &gt;,libmolgrid::Grid&lt;float, 3ul, false&gt;,float3,float [,float=1.0])</p>
+<dt>C++ signature :</dt><dd><p>void write_map(std::__1::basic_string&lt;char, std::__1::char_traits&lt;char&gt;, std::__1::allocator&lt;char&gt;&gt;,libmolgrid::Grid&lt;float, 3ul, false&gt;,float3,float [,float=1.0])</p>
 </dd>
 </dl>
 </dd></dl>
@@ -3331,7 +3333,7 @@ <h3>The <code class="docutils literal notranslate"><span class="pre">Transform</
 </section>
 </section>
 <section id="indices-and-tables">
-<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Permalink to this headline"></a></h1>
+<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Link to this heading"></a></h1>
 <ul class="simple">
 <li><p><a class="reference internal" href="genindex.html"><span class="std std-ref">Index</span></a></p></li>
 </ul>
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+
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+          
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+            molgrid
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 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
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-      <li>Python Module Index</li>
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--- a/docs/python/search.html
+++ b/docs/python/search.html
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   <title>Search &mdash; molgrid  documentation</title>
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-    
-  <!--[if lt IE 9]>
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-  <![endif]-->
+      <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
+      <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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+            molgrid
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 <div role="search">
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+    <input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
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     <input type="hidden" name="area" value="default" />
   </form>
@@ -42,9 +47,6 @@
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 <li class="toctree-l1"><a class="reference external" href="../tutorials#://">Tutorials</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html">libmolgrid Python documentation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#python-docs">Python Docs</a></li>
-<li class="toctree-l1"><a class="reference internal" href="index.html#indices-and-tables">Indices and tables</a></li>
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@@ -60,8 +62,8 @@
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           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-      <li><a href="index.html" class="icon icon-home"></a> &raquo;</li>
-      <li>Search</li>
+      <li><a href="index.html" class="icon icon-home" aria-label="Home"></a></li>
+      <li class="breadcrumb-item active">Search</li>
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diff --git a/docs/python/searchindex.js b/docs/python/searchindex.js
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diff --git a/docs/render_notebook.py b/docs/render_notebook.py
new file mode 100644
index 00000000..322a1d4a
--- /dev/null
+++ b/docs/render_notebook.py
@@ -0,0 +1,53 @@
+#!/usr/bin/env python3
+
+from __future__ import annotations
+
+import argparse
+import re
+from pathlib import Path
+
+import nbformat
+from nbconvert import HTMLExporter
+
+
+def sentence_case_title(stem: str) -> str:
+    return stem.replace("_", " ").lower().capitalize()
+
+
+def render_notebook(source: Path, destination: Path) -> None:
+    notebook = nbformat.read(source, as_version=4)
+    exporter = HTMLExporter(template_name="lab")
+    body, _ = exporter.from_notebook_node(notebook)
+
+    body = body.replace(
+        '<div class="container" id="notebook-container">',
+        '<div class="bs-docs-container row">\n<div class="col-md-9" role="main">',
+    )
+    body = body.replace("</body>", "\n</div>\n</body>")
+    body = re.sub(r"(<img[^>]*src[^>]*>)<br>", r"\1", body)
+    body = body.replace("<pre>", '<pre style=" white-space: pre;">')
+
+    front_matter = (
+        "---\n"
+        f"title: {sentence_case_title(source.stem)}\n"
+        "layout: tutorials\n"
+        "homepage: false\n"
+        "hide: true\n"
+        "---\n\n"
+    )
+
+    destination.write_text(front_matter + body, encoding="utf-8")
+
+
+def main() -> None:
+    parser = argparse.ArgumentParser(description="Render a notebook to Jekyll-compatible HTML.")
+    parser.add_argument("source", type=Path)
+    parser.add_argument("destination", type=Path)
+    args = parser.parse_args()
+
+    args.destination.parent.mkdir(parents=True, exist_ok=True)
+    render_notebook(args.source, args.destination)
+
+
+if __name__ == "__main__":
+    main()
diff --git a/docs/tutorials.md b/docs/tutorials.md
index d1ef8f37..c6ca73f4 100644
--- a/docs/tutorials.md
+++ b/docs/tutorials.md
@@ -9,6 +9,12 @@ We demonstrate usage with PyTorch and Keras with the Tensorflow backend,
 and show how to implement and train a few types of models. For examples of
 usage with Caffe, we recommend you look at the <a href="https://github.com/gnina/scripts">gnina scripts</a> and <a href="https://github.com/gnina/models">gnina models</a> repositories. 
 
+## Backend note
+
+Most PyTorch tutorial notebooks follow the upstream CUDA examples and use
+`cuda` device strings directly. On Apple Silicon Metal builds, replace those
+device selections with `mps` where appropriate.
+
 # Input files
 
 The "types" files expected as input to ExampleProvider are text files where each 
diff --git a/python/CMakeLists.txt b/python/CMakeLists.txt
index b7983040..792846f7 100644
--- a/python/CMakeLists.txt
+++ b/python/CMakeLists.txt
@@ -19,6 +19,14 @@ endif()
 
 find_package( NumPy )
 
+execute_process(
+  COMMAND ${PYTHON_EXECUTABLE} -c "import sysconfig; print(sysconfig.get_config_var('EXT_SUFFIX') or '.so', end='')"
+  OUTPUT_VARIABLE PYTHON_MODULE_EXTENSION
+  OUTPUT_STRIP_TRAILING_WHITESPACE)
+if(NOT PYTHON_MODULE_EXTENSION)
+  set(PYTHON_MODULE_EXTENSION ".so")
+endif()
+
 include_directories(${CMAKE_CURRENT_SOURCE_DIR})
 include_directories(${PROJECT_SOURCE_DIR}/src)
 include_directories(${PYTHON_INCLUDE_DIRS})
@@ -67,6 +75,7 @@ endif()
 # Suppress prefix "lib" because Python does not allow this prefix
 set_target_properties(molgrid PROPERTIES 
 									PREFIX ""
+									SUFFIX "${PYTHON_MODULE_EXTENSION}"
 									LIBRARY_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/molgrid/")
 									
                   
diff --git a/python/__init__.py b/python/__init__.py
index 07e2b6e8..47b278dc 100644
--- a/python/__init__.py
+++ b/python/__init__.py
@@ -6,8 +6,11 @@
     from importlib import metadata
 else:
     import importlib_metadata as metadata
-    
-__version__ = metadata.version('molgrid')
+
+try:
+    __version__ = metadata.version('molgrid')
+except metadata.PackageNotFoundError:
+    __version__ = '0+unknown'
 
 def tonumpy(g):
     '''Return a numpy array copy of grid g'''
diff --git a/sphinx/cpp/index.rst b/sphinx/cpp/index.rst
index 84cf5cc5..70f78610 100644
--- a/sphinx/cpp/index.rst
+++ b/sphinx/cpp/index.rst
@@ -11,7 +11,6 @@ libmolgrid C++ API Documentation
    About <../about#://>
    Docs Home <../docs.html#://>
    Tutorials <../tutorials#://>
-   libmolgrid C++ documentation <index>
 
 C++ Docs
 ========
diff --git a/sphinx/python/conf.py b/sphinx/python/conf.py
index ebcd3976..ec20d1dc 100644
--- a/sphinx/python/conf.py
+++ b/sphinx/python/conf.py
@@ -10,8 +10,11 @@
 # add these directories to sys.path here. If the directory is relative to the
 # documentation root, use os.path.abspath to make it absolute, like shown here.
 #
-import sys,os,re
-sys.path.insert(0, os.path.abspath('../../build/python'))
+import os
+import sys
+
+python_build_dir = os.environ.get("LIBMOLGRID_PYTHON_BUILD", "../../build/python")
+sys.path.insert(0, os.path.abspath(python_build_dir))
 
 # -- Project information -----------------------------------------------------
 
@@ -26,6 +29,7 @@
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = ['sphinx.ext.autodoc', 'sphinx.ext.coverage', 'sphinx.ext.napoleon']
+autodoc_mock_imports = ['torch']
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['templates']
@@ -48,5 +52,4 @@
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['static']
-
+html_static_path = ['static'] if os.path.isdir(os.path.join(os.path.dirname(__file__), 'static')) else []
diff --git a/sphinx/python/index.rst b/sphinx/python/index.rst
index 8e5a5e43..9213c1ae 100644
--- a/sphinx/python/index.rst
+++ b/sphinx/python/index.rst
@@ -8,7 +8,6 @@ libmolgrid Python documentation
    About <../about#://>
    Docs Home <../docs.html#://>
    Tutorials <../tutorials#://>
-   molgrid Python documentation <index>
 
 Python Docs
 ===========